From a38e0e0e1ed7d9ce1fa032ca015c559256b07480 Mon Sep 17 00:00:00 2001 From: Pravin Carthic <56361904+pravincarthic@users.noreply.github.com> Date: Thu, 30 Jul 2026 18:45:11 +0530 Subject: [PATCH 1/4] Added branch for P100 support --- Quantum_espresso_install_guide.ipynb | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Quantum_espresso_install_guide.ipynb b/Quantum_espresso_install_guide.ipynb index e34b911..6c89846 100644 --- a/Quantum_espresso_install_guide.ipynb +++ b/Quantum_espresso_install_guide.ipynb @@ -1 +1 @@ -{"metadata":{"kernelspec":{"language":"python","display_name":"Python 3","name":"python3"},"language_info":{"name":"python","version":"3.12.12","mimetype":"text/x-python","codemirror_mode":{"name":"ipython","version":3},"pygments_lexer":"ipython3","nbconvert_exporter":"python","file_extension":".py"},"kaggle":{"accelerator":"nvidiaTeslaT4","dataSources":[{"sourceType":"datasetVersion","sourceId":15490887,"datasetId":9910679,"databundleVersionId":16415605},{"sourceType":"datasetVersion","sourceId":15809101,"datasetId":10133874,"databundleVersionId":16756907},{"sourceType":"datasetVersion","sourceId":15664603,"datasetId":10029968,"databundleVersionId":16601428},{"sourceType":"datasetVersion","sourceId":15664593,"datasetId":10029958,"databundleVersionId":16601418},{"sourceType":"datasetVersion","sourceId":15660946,"datasetId":10027068,"databundleVersionId":16597549},{"sourceType":"datasetVersion","sourceId":15564737,"datasetId":9957915,"databundleVersionId":16495191},{"sourceType":"datasetVersion","sourceId":15654163,"datasetId":10022101,"databundleVersionId":16590329},{"sourceType":"datasetVersion","sourceId":16493551,"datasetId":10129077,"databundleVersionId":17495327}],"dockerImageVersionId":31329,"isInternetEnabled":true,"language":"python","sourceType":"notebook","isGpuEnabled":true}},"nbformat_minor":4,"nbformat":4,"cells":[{"cell_type":"markdown","source":"# Quantum ESPRESSO installation guide on Python for 2xT4 GPU","metadata":{}},{"cell_type":"markdown","source":"## 1. Install Dependencies","metadata":{}},{"cell_type":"code","source":"%%bash\napt-get update\napt-get install -y build-essential wget \\\n libfftw3-dev libblas-dev liblapack-dev \\\n libscalapack-mpi-dev libopenmpi-dev openmpi-bin\napt-get install -y libxc-dev libxc9\npip install phonopy\npip install numpy scipy pyyaml matplotlib\npip install ase cclib","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-08T08:48:32.974421Z","iopub.execute_input":"2026-07-08T08:48:32.974869Z","iopub.status.idle":"2026-07-08T08:49:06.107572Z","shell.execute_reply.started":"2026-07-08T08:48:32.974832Z","shell.execute_reply":"2026-07-08T08:49:06.106848Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Get:1 https://cloud.r-project.org/bin/linux/ubuntu jammy-cran40/ InRelease [3,632 B]\nGet:2 https://cli.github.com/packages stable InRelease [3,917 B]\nGet:3 https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64 InRelease [1,581 B]\nGet:4 http://security.ubuntu.com/ubuntu jammy-security InRelease [129 kB] \nHit:5 http://archive.ubuntu.com/ubuntu jammy InRelease \nGet:6 https://r2u.stat.illinois.edu/ubuntu jammy InRelease [6,555 B] \nGet:7 http://archive.ubuntu.com/ubuntu jammy-updates InRelease [128 kB] \nGet:8 https://cloud.r-project.org/bin/linux/ubuntu jammy-cran40/ Packages [99.9 kB]\nGet:9 https://cli.github.com/packages stable/main amd64 Packages [355 B] \nGet:10 http://archive.ubuntu.com/ubuntu jammy-backports InRelease [127 kB] \nGet:11 https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64 Packages [2,806 kB]\nGet:12 https://ppa.launchpadcontent.net/deadsnakes/ppa/ubuntu jammy InRelease [18.1 kB]\nHit:13 https://ppa.launchpadcontent.net/graphics-drivers/ppa/ubuntu jammy InRelease\nGet:14 http://security.ubuntu.com/ubuntu jammy-security/main amd64 Packages [4,083 kB]\nGet:15 http://security.ubuntu.com/ubuntu jammy-security/universe amd64 Packages [1,308 kB]\nGet:16 http://security.ubuntu.com/ubuntu jammy-security/multiverse amd64 Packages [77.8 kB]\nGet:17 http://security.ubuntu.com/ubuntu jammy-security/restricted amd64 Packages [7,332 kB]\nHit:18 https://ppa.launchpadcontent.net/ubuntugis/ppa/ubuntu jammy InRelease \nGet:19 https://r2u.stat.illinois.edu/ubuntu jammy/main all Packages [10.5 MB] \nGet:20 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 Packages [1,613 kB]\nGet:21 http://archive.ubuntu.com/ubuntu jammy-updates/restricted amd64 Packages [7,600 kB]\nGet:22 http://archive.ubuntu.com/ubuntu jammy-updates/main amd64 Packages [4,416 kB]\nGet:23 http://archive.ubuntu.com/ubuntu jammy-updates/multiverse amd64 Packages [86.4 kB]\nGet:24 http://archive.ubuntu.com/ubuntu jammy-backports/universe amd64 Packages [35.6 kB]\nGet:25 http://archive.ubuntu.com/ubuntu jammy-backports/main amd64 Packages [82.8 kB]\nGet:26 https://r2u.stat.illinois.edu/ubuntu jammy/main amd64 Packages [3,099 kB]\nGet:27 https://ppa.launchpadcontent.net/deadsnakes/ppa/ubuntu jammy/main amd64 Packages [38.6 kB]\nFetched 43.6 MB in 3s (15.1 MB/s) \nReading package lists... Done\nW: Skipping acquire of configured file 'main/source/Sources' as repository 'https://r2u.stat.illinois.edu/ubuntu jammy InRelease' does not seem to provide it (sources.list entry misspelt?)\nReading package lists... Done\nBuilding dependency tree... Done\nReading state information... Done\nbuild-essential is already the newest version (12.9ubuntu3).\nliblapack-dev is already the newest version (3.10.0-2ubuntu1).\nlibopenmpi-dev is already the newest version (4.1.2-2ubuntu1).\nlibopenmpi-dev set to manually installed.\nlibscalapack-mpi-dev is already the newest version (2.1.0-4).\nlibscalapack-mpi-dev set to manually installed.\nopenmpi-bin is already the newest version (4.1.2-2ubuntu1).\nopenmpi-bin set to manually installed.\nwget is already the newest version (1.21.2-2ubuntu1.1).\nThe following additional packages will be installed:\n libfftw3-bin libfftw3-long3 libfftw3-quad3 libfftw3-single3\nSuggested packages:\n liblapack-doc libfftw3-doc\nThe following NEW packages will be installed:\n libblas-dev libfftw3-bin libfftw3-dev libfftw3-long3 libfftw3-quad3\n libfftw3-single3\n0 upgraded, 6 newly installed, 0 to remove and 271 not upgraded.\nNeed to get 4,048 kB of archives.\nAfter this operation, 23.5 MB of additional disk space will be used.\nGet:1 http://archive.ubuntu.com/ubuntu jammy/main amd64 libblas-dev amd64 3.10.0-2ubuntu1 [164 kB]\nGet:2 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-long3 amd64 3.3.8-2ubuntu8 [335 kB]\nGet:3 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-quad3 amd64 3.3.8-2ubuntu8 [614 kB]\nGet:4 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-single3 amd64 3.3.8-2ubuntu8 [800 kB]\nGet:5 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-bin amd64 3.3.8-2ubuntu8 [35.5 kB]\nGet:6 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-dev amd64 3.3.8-2ubuntu8 [2,101 kB]\nFetched 4,048 kB in 0s (31.9 MB/s) \nSelecting previously unselected package libblas-dev:amd64.\n(Reading database ... 124626 files and directories currently installed.)\nPreparing to unpack .../0-libblas-dev_3.10.0-2ubuntu1_amd64.deb ...\nUnpacking libblas-dev:amd64 (3.10.0-2ubuntu1) ...\nSelecting previously unselected package libfftw3-long3:amd64.\nPreparing to unpack .../1-libfftw3-long3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-long3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-quad3:amd64.\nPreparing to unpack .../2-libfftw3-quad3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-quad3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-single3:amd64.\nPreparing to unpack .../3-libfftw3-single3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-single3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-bin.\nPreparing to unpack .../4-libfftw3-bin_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-bin (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-dev:amd64.\nPreparing to unpack .../5-libfftw3-dev_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-dev:amd64 (3.3.8-2ubuntu8) ...\nSetting up libfftw3-single3:amd64 (3.3.8-2ubuntu8) ...\nSetting up libfftw3-long3:amd64 (3.3.8-2ubuntu8) ...\nSetting up libfftw3-quad3:amd64 (3.3.8-2ubuntu8) ...\nSetting up libblas-dev:amd64 (3.10.0-2ubuntu1) ...\nSetting up libfftw3-bin (3.3.8-2ubuntu8) ...\nSetting up libfftw3-dev:amd64 (3.3.8-2ubuntu8) ...\nProcessing triggers for man-db (2.10.2-1) ...\nProcessing triggers for libc-bin (2.35-0ubuntu3.8) ...\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_5.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero_v2.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_0.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_loader.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbb.so.12 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libumf.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm_debug.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_opencl.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc_proxy.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libhwloc.so.15 is not a symbolic link\n\nReading package lists... Done\nBuilding dependency tree... Done\nReading state information... Done\nThe following NEW packages will be installed:\n libxc-dev libxc9\n0 upgraded, 2 newly installed, 0 to remove and 271 not upgraded.\nNeed to get 11.9 MB of archives.\nAfter this operation, 41.2 MB of additional disk space will be used.\nGet:1 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libxc9 amd64 5.1.7-1ubuntu1 [3,900 kB]\nGet:2 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libxc-dev amd64 5.1.7-1ubuntu1 [8,038 kB]\nFetched 11.9 MB in 0s (85.0 MB/s) \nSelecting previously unselected package libxc9:amd64.\n(Reading database ... 124727 files and directories currently installed.)\nPreparing to unpack .../libxc9_5.1.7-1ubuntu1_amd64.deb ...\nUnpacking libxc9:amd64 (5.1.7-1ubuntu1) ...\nSelecting previously unselected package libxc-dev.\nPreparing to unpack .../libxc-dev_5.1.7-1ubuntu1_amd64.deb ...\nUnpacking libxc-dev (5.1.7-1ubuntu1) ...\nSetting up libxc9:amd64 (5.1.7-1ubuntu1) ...\nSetting up libxc-dev (5.1.7-1ubuntu1) ...\nProcessing triggers for libc-bin (2.35-0ubuntu3.8) ...\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_5.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero_v2.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_0.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_loader.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbb.so.12 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libumf.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm_debug.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_opencl.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc_proxy.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libhwloc.so.15 is not a symbolic link\n\nCollecting phonopy\n Downloading phonopy-4.3.1-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl.metadata (3.7 kB)\nRequirement already satisfied: numpy>=1.17.0 in /usr/local/lib/python3.12/dist-packages (from phonopy) (2.0.2)\nRequirement already satisfied: PyYAML>=5.3 in /usr/local/lib/python3.12/dist-packages (from phonopy) (6.0.3)\nRequirement already satisfied: matplotlib>=2.2.2 in /usr/local/lib/python3.12/dist-packages (from phonopy) (3.10.0)\nRequirement already satisfied: h5py>=3.0 in /usr/local/lib/python3.12/dist-packages (from phonopy) (3.15.1)\nCollecting spglib>=2.5 (from phonopy)\n Downloading spglib-2.7.0-cp312-cp312-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl.metadata (4.2 kB)\nCollecting symfc>=1.7 (from phonopy)\n Downloading symfc-1.7.3-py3-none-any.whl.metadata (2.1 kB)\nCollecting phonors>=0.3.0 (from phonopy)\n Downloading phonors-0.3.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (2.6 kB)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (1.4.9)\nRequirement already satisfied: packaging>=20.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (26.0)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (2.9.0.post0)\nRequirement already satisfied: typing-extensions>=4.9.0 in /usr/local/lib/python3.12/dist-packages (from spglib>=2.5->phonopy) (4.15.0)\nRequirement already satisfied: scipy!=1.11.0,!=1.11.1,!=1.11.2,!=1.17.0 in /usr/local/lib/python3.12/dist-packages (from symfc>=1.7->phonopy) (1.16.3)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib>=2.2.2->phonopy) (1.17.0)\nDownloading phonopy-4.3.1-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl (787 kB)\n\u001b[2K \u001b[90m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[32m787.7/787.7 kB\u001b[0m \u001b[31m41.0 MB/s\u001b[0m eta \u001b[36m0:00:00\u001b[0m\n\u001b[?25hDownloading phonors-0.3.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.5 MB)\n\u001b[2K \u001b[90m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[32m1.5/1.5 MB\u001b[0m \u001b[31m69.1 MB/s\u001b[0m eta \u001b[36m0:00:00\u001b[0m\n\u001b[?25hDownloading spglib-2.7.0-cp312-cp312-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl (962 kB)\n\u001b[2K \u001b[90m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[32m962.5/962.5 kB\u001b[0m \u001b[31m54.9 MB/s\u001b[0m eta \u001b[36m0:00:00\u001b[0m\n\u001b[?25hDownloading symfc-1.7.3-py3-none-any.whl (114 kB)\n\u001b[2K \u001b[90m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[32m114.9/114.9 kB\u001b[0m \u001b[31m9.8 MB/s\u001b[0m eta \u001b[36m0:00:00\u001b[0m\n\u001b[?25hInstalling collected packages: spglib, phonors, symfc, phonopy\nSuccessfully installed phonopy-4.3.1 phonors-0.3.0 spglib-2.7.0 symfc-1.7.3\nRequirement already satisfied: numpy in /usr/local/lib/python3.12/dist-packages (2.0.2)\nRequirement already satisfied: scipy in /usr/local/lib/python3.12/dist-packages (1.16.3)\nRequirement already satisfied: pyyaml in /usr/local/lib/python3.12/dist-packages (6.0.3)\nRequirement already satisfied: matplotlib in /usr/local/lib/python3.12/dist-packages (3.10.0)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (1.4.9)\nRequirement already satisfied: packaging>=20.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (26.0)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (2.9.0.post0)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib) (1.17.0)\nCollecting ase\n Downloading ase-3.29.0-py3-none-any.whl.metadata (4.4 kB)\nCollecting cclib\n Downloading cclib-1.8.1-py3-none-any.whl.metadata (4.7 kB)\nRequirement already satisfied: numpy>=1.21.6 in /usr/local/lib/python3.12/dist-packages (from ase) (2.0.2)\nRequirement already satisfied: scipy>=1.8.1 in /usr/local/lib/python3.12/dist-packages (from ase) (1.16.3)\nRequirement already satisfied: matplotlib>=3.5.2 in /usr/local/lib/python3.12/dist-packages (from ase) (3.10.0)\nRequirement already satisfied: typing_extensions>=4.13.1 in /usr/local/lib/python3.12/dist-packages (from ase) (4.15.0)\nRequirement already satisfied: packaging>=19.0 in /usr/local/lib/python3.12/dist-packages (from cclib) (26.0)\nCollecting periodictable (from cclib)\n Downloading periodictable-2.1.0-py3-none-any.whl.metadata (5.2 kB)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (1.4.9)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (2.9.0.post0)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib>=3.5.2->ase) (1.17.0)\nDownloading ase-3.29.0-py3-none-any.whl (3.0 MB)\n\u001b[2K \u001b[90m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[32m3.0/3.0 MB\u001b[0m \u001b[31m74.2 MB/s\u001b[0m eta \u001b[36m0:00:00\u001b[0m:00:01\u001b[0m\n\u001b[?25hDownloading cclib-1.8.1-py3-none-any.whl (353 kB)\n\u001b[2K \u001b[90m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[32m353.6/353.6 kB\u001b[0m \u001b[31m27.4 MB/s\u001b[0m eta \u001b[36m0:00:00\u001b[0m\n\u001b[?25hDownloading periodictable-2.1.0-py3-none-any.whl (830 kB)\n\u001b[2K \u001b[90m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[32m830.7/830.7 kB\u001b[0m \u001b[31m53.0 MB/s\u001b[0m eta \u001b[36m0:00:00\u001b[0m\n\u001b[?25hInstalling collected packages: periodictable, cclib, ase\nSuccessfully installed ase-3.29.0 cclib-1.8.1 periodictable-2.1.0\n","output_type":"stream"}],"execution_count":3},{"cell_type":"markdown","source":"## 2. Download Quantum ESPRESSO and NVFORTRAN/NVHPC SDK","metadata":{}},{"cell_type":"markdown","source":"Will take ~15-17 GiB of output space, ensure there is enough storage","metadata":{}},{"cell_type":"code","source":"!cd \n!wget https://github.com/QEF/q-e/archive/refs/tags/qe-7.5.tar.gz\n!tar -xvf qe-7.5.tar.gz\n!rm -rf /kaggle/working/qe-7.5.tar.gz\n%cd q-e-qe-7.5","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-08T08:49:06.109066Z","iopub.execute_input":"2026-07-08T08:49:06.109329Z","iopub.status.idle":"2026-07-08T08:49:15.779818Z","shell.execute_reply.started":"2026-07-08T08:49:06.109302Z","shell.execute_reply":"2026-07-08T08:49:15.778971Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"--2026-07-08 08:49:06-- https://github.com/QEF/q-e/archive/refs/tags/qe-7.5.tar.gz\nResolving github.com (github.com)... 140.82.114.3\nConnecting to github.com (github.com)|140.82.114.3|:443... connected.\nHTTP request sent, awaiting response... 302 Found\nLocation: https://codeload.github.com/QEF/q-e/tar.gz/refs/tags/qe-7.5 [following]\n--2026-07-08 08:49:06-- https://codeload.github.com/QEF/q-e/tar.gz/refs/tags/qe-7.5\nResolving codeload.github.com (codeload.github.com)... 140.82.113.10\nConnecting to codeload.github.com (codeload.github.com)|140.82.113.10|:443... connected.\nHTTP request sent, awaiting response... 200 OK\nLength: unspecified [application/x-gzip]\nSaving to: ‘qe-7.5.tar.gz’\n\nqe-7.5.tar.gz [<=> ] 69.12M 9.66MB/s in 7.1s \n\n2026-07-08 08:49:13 (9.76 MB/s) - ‘qe-7.5.tar.gz’ saved [72479566]\n\nq-e-qe-7.5/\nq-e-qe-7.5/.ci/\nq-e-qe-7.5/.ci/cineca.yml\nq-e-qe-7.5/.cmake-format\nq-e-qe-7.5/.editorconfig\nq-e-qe-7.5/.github/\nq-e-qe-7.5/.github/pull_request_template.md\nq-e-qe-7.5/.gitignore\nq-e-qe-7.5/.gitlab-ci-main.yml\nq-e-qe-7.5/.gitlab-ci.yml\nq-e-qe-7.5/.gitmodules\nq-e-qe-7.5/.travis.yml\nq-e-qe-7.5/CMakeLists.txt\nq-e-qe-7.5/CONTRIBUTING.md\nq-e-qe-7.5/COUPLE/\nq-e-qe-7.5/COUPLE/CMakeLists.txt\nq-e-qe-7.5/COUPLE/Makefile\nq-e-qe-7.5/COUPLE/README\nq-e-qe-7.5/COUPLE/examples/\nq-e-qe-7.5/COUPLE/examples/Makefile.gfortran\nq-e-qe-7.5/COUPLE/examples/Makefile.ifort\nq-e-qe-7.5/COUPLE/examples/README\nq-e-qe-7.5/COUPLE/examples/c2cp.cpp\nq-e-qe-7.5/COUPLE/examples/c2pw.cpp\nq-e-qe-7.5/COUPLE/examples/f2cp.f90\nq-e-qe-7.5/COUPLE/examples/f2pw.f90\nq-e-qe-7.5/COUPLE/include/\nq-e-qe-7.5/COUPLE/include/libqecouple.h\nq-e-qe-7.5/COUPLE/src/\nq-e-qe-7.5/COUPLE/src/Makefile\nq-e-qe-7.5/COUPLE/src/libcpv.f90\nq-e-qe-7.5/COUPLE/src/libpwscf.f90\nq-e-qe-7.5/COUPLE/src/libqemod.f90\nq-e-qe-7.5/COUPLE/tests/\nq-e-qe-7.5/COUPLE/tests/check-couple.j\nq-e-qe-7.5/COUPLE/tests/clean_all\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.c-0.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.c-16.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.c-2.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.c-4.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.f-0.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.f-16.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.f-2.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.f-4.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.in\nq-e-qe-7.5/COUPLE/tests/metal.pw.c-0.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.c-16.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.c-2.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.c-4.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.f-0.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.f-16.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.f-2.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.f-4.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.in\nq-e-qe-7.5/COUPLE/tests/scf.pw.c-0.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.c-16.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.c-2.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.c-4.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.f-0.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.f-16.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.f-2.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.f-4.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.in\nq-e-qe-7.5/CPV/\nq-e-qe-7.5/CPV/CMakeLists.txt\nq-e-qe-7.5/CPV/Doc/\nq-e-qe-7.5/CPV/Doc/INPUT_CP.def\nq-e-qe-7.5/CPV/Doc/INPUT_CP.html\nq-e-qe-7.5/CPV/Doc/INPUT_CP.txt\nq-e-qe-7.5/CPV/Doc/INPUT_CPPP.def\nq-e-qe-7.5/CPV/Doc/INPUT_CPPP.html\nq-e-qe-7.5/CPV/Doc/INPUT_CPPP.txt\nq-e-qe-7.5/CPV/Doc/INPUT_WFDD\nq-e-qe-7.5/CPV/Doc/Makefile\nq-e-qe-7.5/CPV/Doc/autopilot_guide.md\nq-e-qe-7.5/CPV/Doc/pandoc_template.html\nq-e-qe-7.5/CPV/Doc/pandoc_template.tex\nq-e-qe-7.5/CPV/Doc/tp.tex\nq-e-qe-7.5/CPV/Doc/user_guide.md\nq-e-qe-7.5/CPV/Ford.md\nq-e-qe-7.5/CPV/Ford/\nq-e-qe-7.5/CPV/Ford/index.md\nq-e-qe-7.5/CPV/Makefile\nq-e-qe-7.5/CPV/examples/\nq-e-qe-7.5/CPV/examples/EXX-wf-example/\nq-e-qe-7.5/CPV/examples/EXX-wf-example/01.input\nq-e-qe-7.5/CPV/examples/EXX-wf-example/01.out\nq-e-qe-7.5/CPV/examples/EXX-wf-example/02.input\nq-e-qe-7.5/CPV/examples/EXX-wf-example/02.out\nq-e-qe-7.5/CPV/examples/EXX-wf-example/H_HSCV_PBE-1.0.UPF\nq-e-qe-7.5/CPV/examples/EXX-wf-example/O_HSCV_PBE-1.0.UPF\nq-e-qe-7.5/CPV/examples/EXX-wf-example/README-Parallelization\nq-e-qe-7.5/CPV/examples/EXX-wf-example/README-example\nq-e-qe-7.5/CPV/examples/EXX-wf-example/example-job-script\nq-e-qe-7.5/CPV/examples/Extffield_example/\nq-e-qe-7.5/CPV/examples/Extffield_example/README\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/SiH4.extffield\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/SiH4.inp1\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/SiH4.inp2\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/SiH4.out1\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/SiH4.out2\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/extffield.dat\nq-e-qe-7.5/CPV/examples/Extffield_example/run_example\nq-e-qe-7.5/CPV/examples/README\nq-e-qe-7.5/CPV/examples/Restart_example/\nq-e-qe-7.5/CPV/examples/Restart_example/README\nq-e-qe-7.5/CPV/examples/Restart_example/reference/\nq-e-qe-7.5/CPV/examples/Restart_example/reference/sio2.cp.restart.out\nq-e-qe-7.5/CPV/examples/Restart_example/reference/sio2.cp.start.out\nq-e-qe-7.5/CPV/examples/Restart_example/reference/sio2.pw.restart.out\nq-e-qe-7.5/CPV/examples/Restart_example/run_example\nq-e-qe-7.5/CPV/examples/autopilot-example/\nq-e-qe-7.5/CPV/examples/autopilot-example/reference/\nq-e-qe-7.5/CPV/examples/autopilot-example/reference/water.autopilot.out\nq-e-qe-7.5/CPV/examples/autopilot-example/run_example_water\nq-e-qe-7.5/CPV/examples/example01/\nq-e-qe-7.5/CPV/examples/example01/README\nq-e-qe-7.5/CPV/examples/example01/reference/\nq-e-qe-7.5/CPV/examples/example01/reference/sio2.cp.restart.out\nq-e-qe-7.5/CPV/examples/example01/reference/sio2.cp.start.out\nq-e-qe-7.5/CPV/examples/example01/reference/sio2.vc-cp.out\nq-e-qe-7.5/CPV/examples/example01/reference/sio2.vc-cp.restart.out\nq-e-qe-7.5/CPV/examples/example01/run_example\nq-e-qe-7.5/CPV/examples/example02/\nq-e-qe-7.5/CPV/examples/example02/README\nq-e-qe-7.5/CPV/examples/example02/reference/\nq-e-qe-7.5/CPV/examples/example02/reference/h2o-mol1.out\nq-e-qe-7.5/CPV/examples/example02/reference/h2o-mol2.out\nq-e-qe-7.5/CPV/examples/example02/reference/h2o-mol3.out\nq-e-qe-7.5/CPV/examples/example02/run_example\nq-e-qe-7.5/CPV/examples/example03/\nq-e-qe-7.5/CPV/examples/example03/README\nq-e-qe-7.5/CPV/examples/example03/reference/\nq-e-qe-7.5/CPV/examples/example03/reference/nh3.out\nq-e-qe-7.5/CPV/examples/example03/run_example\nq-e-qe-7.5/CPV/examples/example04/\nq-e-qe-7.5/CPV/examples/example04/README\nq-e-qe-7.5/CPV/examples/example04/reference/\nq-e-qe-7.5/CPV/examples/example04/reference/h2o-32.out\nq-e-qe-7.5/CPV/examples/example04/reference/h2o-64.out\nq-e-qe-7.5/CPV/examples/example04/run_example\nq-e-qe-7.5/CPV/examples/example05/\nq-e-qe-7.5/CPV/examples/example05/README\nq-e-qe-7.5/CPV/examples/example05/reference/\nq-e-qe-7.5/CPV/examples/example05/reference/h2o.efield.out\nq-e-qe-7.5/CPV/examples/example05/reference/h2o.wannier.out\nq-e-qe-7.5/CPV/examples/example05/run_example\nq-e-qe-7.5/CPV/examples/example06/\nq-e-qe-7.5/CPV/examples/example06/README\nq-e-qe-7.5/CPV/examples/example06/reference/\nq-e-qe-7.5/CPV/examples/example06/reference/h2o.scf.out\nq-e-qe-7.5/CPV/examples/example06/reference/h2o.wannier.out\nq-e-qe-7.5/CPV/examples/example06/run_example\nq-e-qe-7.5/CPV/examples/example07/\nq-e-qe-7.5/CPV/examples/example07/README\nq-e-qe-7.5/CPV/examples/example07/reference/\nq-e-qe-7.5/CPV/examples/example07/reference/c4h6.cp.metaGGA.out\nq-e-qe-7.5/CPV/examples/example07/reference/c4h6.pw.metaGGA.out\nq-e-qe-7.5/CPV/examples/example07/run_example\nq-e-qe-7.5/CPV/examples/example08/\nq-e-qe-7.5/CPV/examples/example08/README\nq-e-qe-7.5/CPV/examples/example08/reference/\nq-e-qe-7.5/CPV/examples/example08/reference/si2.ensemble-dyn.out\nq-e-qe-7.5/CPV/examples/example08/run_example\nq-e-qe-7.5/CPV/examples/example09/\nq-e-qe-7.5/CPV/examples/example09/README\nq-e-qe-7.5/CPV/examples/example09/reference/\nq-e-qe-7.5/CPV/examples/example09/reference/mgo.cp.cg.efield.out\nq-e-qe-7.5/CPV/examples/example09/reference/mgo.cp.cg.out\nq-e-qe-7.5/CPV/examples/example09/reference/mgo.cp.damp.efield.out\nq-e-qe-7.5/CPV/examples/example09/run_example\nq-e-qe-7.5/CPV/src/\nq-e-qe-7.5/CPV/src/Makefile\nq-e-qe-7.5/CPV/src/berryion.f90\nq-e-qe-7.5/CPV/src/bforceion.f90\nq-e-qe-7.5/CPV/src/cg.f90\nq-e-qe-7.5/CPV/src/cg_sub.f90\nq-e-qe-7.5/CPV/src/chargedensity.f90\nq-e-qe-7.5/CPV/src/cp_autopilot.f90\nq-e-qe-7.5/CPV/src/cp_emass.f90\nq-e-qe-7.5/CPV/src/cp_interfaces.f90\nq-e-qe-7.5/CPV/src/cp_restart_new.f90\nq-e-qe-7.5/CPV/src/cp_wavefunctions.f90\nq-e-qe-7.5/CPV/src/cplib.f90\nq-e-qe-7.5/CPV/src/cplib_meta.f90\nq-e-qe-7.5/CPV/src/cppp.f90\nq-e-qe-7.5/CPV/src/cpr.f90\nq-e-qe-7.5/CPV/src/cpr_loop.f90\nq-e-qe-7.5/CPV/src/cpr_mod.f90\nq-e-qe-7.5/CPV/src/cprstart.f90\nq-e-qe-7.5/CPV/src/dealloc.f90\nq-e-qe-7.5/CPV/src/dforceb.f90\nq-e-qe-7.5/CPV/src/efermi.f90\nq-e-qe-7.5/CPV/src/efield.f90\nq-e-qe-7.5/CPV/src/eigs0.f90\nq-e-qe-7.5/CPV/src/electrons.f90\nq-e-qe-7.5/CPV/src/electrons_nose.f90\nq-e-qe-7.5/CPV/src/energies.f90\nq-e-qe-7.5/CPV/src/ensemble_dft.f90\nq-e-qe-7.5/CPV/src/entropy.f90\nq-e-qe-7.5/CPV/src/environ_cp_module.f90\nq-e-qe-7.5/CPV/src/exch_corr.f90\nq-e-qe-7.5/CPV/src/exx_cg.f90\nq-e-qe-7.5/CPV/src/exx_es.f90\nq-e-qe-7.5/CPV/src/exx_gs.f90\nq-e-qe-7.5/CPV/src/exx_module.f90\nq-e-qe-7.5/CPV/src/exx_pair.f90\nq-e-qe-7.5/CPV/src/exx_psi.f90\nq-e-qe-7.5/CPV/src/exx_vofr.f90\nq-e-qe-7.5/CPV/src/forces.f90\nq-e-qe-7.5/CPV/src/fromscra.f90\nq-e-qe-7.5/CPV/src/gram.f90\nq-e-qe-7.5/CPV/src/gtable.f90\nq-e-qe-7.5/CPV/src/init.f90\nq-e-qe-7.5/CPV/src/init_run.f90\nq-e-qe-7.5/CPV/src/inner_loop_cold.f90\nq-e-qe-7.5/CPV/src/input.f90\nq-e-qe-7.5/CPV/src/ions_positions.f90\nq-e-qe-7.5/CPV/src/ksstates.f90\nq-e-qe-7.5/CPV/src/ldaU.f90\nq-e-qe-7.5/CPV/src/ldaU_cp.f90\nq-e-qe-7.5/CPV/src/ldaUpen.f90\nq-e-qe-7.5/CPV/src/mainvar.f90\nq-e-qe-7.5/CPV/src/manycp.f90\nq-e-qe-7.5/CPV/src/metaxc.f90\nq-e-qe-7.5/CPV/src/modules.f90\nq-e-qe-7.5/CPV/src/move_electrons.f90\nq-e-qe-7.5/CPV/src/newd.f90\nq-e-qe-7.5/CPV/src/nl_base.f90\nq-e-qe-7.5/CPV/src/nlcc.f90\nq-e-qe-7.5/CPV/src/ortho.f90\nq-e-qe-7.5/CPV/src/ortho_base.f90\nq-e-qe-7.5/CPV/src/phasefactor.f90\nq-e-qe-7.5/CPV/src/plugin_add_potential.f90\nq-e-qe-7.5/CPV/src/plugin_clean.f90\nq-e-qe-7.5/CPV/src/plugin_clock.f90\nq-e-qe-7.5/CPV/src/plugin_energy.f90\nq-e-qe-7.5/CPV/src/plugin_ext_forces.f90\nq-e-qe-7.5/CPV/src/plugin_get_potential.f90\nq-e-qe-7.5/CPV/src/plugin_init_base.f90\nq-e-qe-7.5/CPV/src/plugin_init_cell.f90\nq-e-qe-7.5/CPV/src/plugin_init_ions.f90\nq-e-qe-7.5/CPV/src/plugin_initialization.f90\nq-e-qe-7.5/CPV/src/plugin_int_forces.f90\nq-e-qe-7.5/CPV/src/plugin_print_energies.f90\nq-e-qe-7.5/CPV/src/plugin_print_info.f90\nq-e-qe-7.5/CPV/src/plugin_read_input.f90\nq-e-qe-7.5/CPV/src/plugin_utilities.f90\nq-e-qe-7.5/CPV/src/potentials.f90\nq-e-qe-7.5/CPV/src/pres_ai_mod.f90\nq-e-qe-7.5/CPV/src/print_out.f90\nq-e-qe-7.5/CPV/src/problem_size.f90\nq-e-qe-7.5/CPV/src/pseudo_base.f90\nq-e-qe-7.5/CPV/src/pseudopot.f90\nq-e-qe-7.5/CPV/src/pseudopot_sub.f90\nq-e-qe-7.5/CPV/src/qmatrixd.f90\nq-e-qe-7.5/CPV/src/qqberry.f90\nq-e-qe-7.5/CPV/src/restart.f90\nq-e-qe-7.5/CPV/src/restart_sub.f90\nq-e-qe-7.5/CPV/src/runcp.f90\nq-e-qe-7.5/CPV/src/sic.f90\nq-e-qe-7.5/CPV/src/smallbox.f90\nq-e-qe-7.5/CPV/src/smallbox_grid.f90\nq-e-qe-7.5/CPV/src/smallbox_gvec.f90\nq-e-qe-7.5/CPV/src/smallbox_lib.f90\nq-e-qe-7.5/CPV/src/smallbox_subs.f90\nq-e-qe-7.5/CPV/src/spinsq.f90\nq-e-qe-7.5/CPV/src/spline.f90\nq-e-qe-7.5/CPV/src/stop_run.f90\nq-e-qe-7.5/CPV/src/stress.f90\nq-e-qe-7.5/CPV/src/vofrho.f90\nq-e-qe-7.5/CPV/src/vol_clu.f90\nq-e-qe-7.5/CPV/src/wannier.f90\nq-e-qe-7.5/CPV/src/wannier_base.f90\nq-e-qe-7.5/CPV/src/wave.f90\nq-e-qe-7.5/CPV/src/wave_base.f90\nq-e-qe-7.5/CPV/src/wave_types.f90\nq-e-qe-7.5/CPV/src/wf.f90\nq-e-qe-7.5/CPV/src/wfdd.f90\nq-e-qe-7.5/Doc/\nq-e-qe-7.5/Doc/CMakeLists.txt\nq-e-qe-7.5/Doc/ChangeLog.cp\nq-e-qe-7.5/Doc/ChangeLog.old\nq-e-qe-7.5/Doc/ChangeLog.pw\nq-e-qe-7.5/Doc/ExternalForceFields.tex\nq-e-qe-7.5/Doc/Hubbard_input.tex\nq-e-qe-7.5/Doc/Makefile\nq-e-qe-7.5/Doc/README\nq-e-qe-7.5/Doc/brillouin_zones.tex\nq-e-qe-7.5/Doc/constraints_HOWTO.tex\nq-e-qe-7.5/Doc/html.sty\nq-e-qe-7.5/Doc/images/\nq-e-qe-7.5/Doc/images/bcc_bi.png\nq-e-qe-7.5/Doc/images/bco_1.png\nq-e-qe-7.5/Doc/images/bco_2.png\nq-e-qe-7.5/Doc/images/bco_3.png\nq-e-qe-7.5/Doc/images/bco_4.png\nq-e-qe-7.5/Doc/images/bco_5.png\nq-e-qe-7.5/Doc/images/bco_6.png\nq-e-qe-7.5/Doc/images/cubic_bi.png\nq-e-qe-7.5/Doc/images/fcc_bi.png\nq-e-qe-7.5/Doc/images/fcc_sc.png\nq-e-qe-7.5/Doc/images/hex.png\nq-e-qe-7.5/Doc/images/monob.png\nq-e-qe-7.5/Doc/images/monoc.png\nq-e-qe-7.5/Doc/images/ofc_1.png\nq-e-qe-7.5/Doc/images/ofc_10.png\nq-e-qe-7.5/Doc/images/ofc_11.png\nq-e-qe-7.5/Doc/images/ofc_12.png\nq-e-qe-7.5/Doc/images/ofc_13.png\nq-e-qe-7.5/Doc/images/ofc_14.png\nq-e-qe-7.5/Doc/images/ofc_15.png\nq-e-qe-7.5/Doc/images/ofc_16.png\nq-e-qe-7.5/Doc/images/ofc_17.png\nq-e-qe-7.5/Doc/images/ofc_18.png\nq-e-qe-7.5/Doc/images/ofc_2.png\nq-e-qe-7.5/Doc/images/ofc_3.png\nq-e-qe-7.5/Doc/images/ofc_4.png\nq-e-qe-7.5/Doc/images/ofc_5.png\nq-e-qe-7.5/Doc/images/ofc_6.png\nq-e-qe-7.5/Doc/images/ofc_7.png\nq-e-qe-7.5/Doc/images/ofc_8.png\nq-e-qe-7.5/Doc/images/ofc_9.png\nq-e-qe-7.5/Doc/images/ofco_1.png\nq-e-qe-7.5/Doc/images/ofco_2.png\nq-e-qe-7.5/Doc/images/so.png\nq-e-qe-7.5/Doc/images/st.png\nq-e-qe-7.5/Doc/images/stc1.png\nq-e-qe-7.5/Doc/images/stc2.png\nq-e-qe-7.5/Doc/images/stc2_sc.png\nq-e-qe-7.5/Doc/images/tri_1.png\nq-e-qe-7.5/Doc/images/tri_2.png\nq-e-qe-7.5/Doc/pic/\nq-e-qe-7.5/Doc/pic/hh_fes.pdf\nq-e-qe-7.5/Doc/pic/sn2_fes.pdf\nq-e-qe-7.5/Doc/pic/sn2_reaction.pdf\nq-e-qe-7.5/Doc/pic/sn2cv.pdf\nq-e-qe-7.5/Doc/pic/sn2cvs.pdf\nq-e-qe-7.5/Doc/plumed_quick_ref.tex\nq-e-qe-7.5/Doc/quantum_espresso.png\nq-e-qe-7.5/Doc/quote.tex\nq-e-qe-7.5/Doc/release-notes\nq-e-qe-7.5/Doc/user_guide.tex\nq-e-qe-7.5/EPW/\nq-e-qe-7.5/EPW/.dependencies\nq-e-qe-7.5/EPW/CMakeLists.txt\nq-e-qe-7.5/EPW/License\nq-e-qe-7.5/EPW/Makefile\nq-e-qe-7.5/EPW/README\nq-e-qe-7.5/EPW/ZG/\nq-e-qe-7.5/EPW/ZG/README\nq-e-qe-7.5/EPW/ZG/src/\nq-e-qe-7.5/EPW/ZG/src/Makefile\nq-e-qe-7.5/EPW/ZG/src/ZG.f90\nq-e-qe-7.5/EPW/ZG/src/bands_unfold.f90\nq-e-qe-7.5/EPW/ZG/src/disca.f90\nq-e-qe-7.5/EPW/ZG/src/epsilon_Gaus.f90\nq-e-qe-7.5/EPW/ZG/src/local/\nq-e-qe-7.5/EPW/ZG/src/local/JDOS.sh\nq-e-qe-7.5/EPW/ZG/src/local/JDOS_Gaus.f90\nq-e-qe-7.5/EPW/ZG/src/local/commands_bands.sh\nq-e-qe-7.5/EPW/ZG/src/local/compile_gfortran.sh\nq-e-qe-7.5/EPW/ZG/src/local/compile_ifort.sh\nq-e-qe-7.5/EPW/ZG/src/local/create_qlist.f90\nq-e-qe-7.5/EPW/ZG/src/local/epsi_av.sh\nq-e-qe-7.5/EPW/ZG/src/local/kpoints_band_str_unfold.f90\nq-e-qe-7.5/EPW/ZG/src/local/merge_bands.sh\nq-e-qe-7.5/EPW/ZG/src/local/merge_files.sh\nq-e-qe-7.5/EPW/ZG/src/local/rotate.f90\nq-e-qe-7.5/EPW/ZG/src/pp_disca.f90\nq-e-qe-7.5/EPW/ZG/src/pp_spctrlfn.f90\nq-e-qe-7.5/EPW/ZG/tutorial.tar.gz\nq-e-qe-7.5/EPW/bin/\nq-e-qe-7.5/EPW/bin/allocate.py\nq-e-qe-7.5/EPW/bin/pp-xml-depreciated.py\nq-e-qe-7.5/EPW/bin/pp.py\nq-e-qe-7.5/EPW/doc/\nq-e-qe-7.5/EPW/doc/Ford/\nq-e-qe-7.5/EPW/doc/Ford/index.md\nq-e-qe-7.5/EPW/doc/graveyard.txt\nq-e-qe-7.5/EPW/epw.md\nq-e-qe-7.5/EPW/examples/\nq-e-qe-7.5/EPW/examples/diamond/\nq-e-qe-7.5/EPW/examples/diamond/epw/\nq-e-qe-7.5/EPW/examples/diamond/epw/epw.in\nq-e-qe-7.5/EPW/examples/diamond/epw/epw2.in\nq-e-qe-7.5/EPW/examples/diamond/epw/epw3.in\nq-e-qe-7.5/EPW/examples/diamond/epw/epw4.in\nq-e-qe-7.5/EPW/examples/diamond/epw/meshes/\nq-e-qe-7.5/EPW/examples/diamond/epw/meshes/kgen.py\nq-e-qe-7.5/EPW/examples/diamond/epw/meshes/path.dat\nq-e-qe-7.5/EPW/examples/diamond/epw/nscf.in\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/decay.H\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/decay.P\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/decay.dynmat\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/decay.epmat_wanep\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/decay.epwane\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/diam.wout\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/epw.out\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/epw2.out\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/lifetime.phself_34\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/linewidth.elself_50\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/linewidth.phself_50\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/nscf.out\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/scf.out\nq-e-qe-7.5/EPW/examples/diamond/epw/scf.in\nq-e-qe-7.5/EPW/examples/diamond/phonons/\nq-e-qe-7.5/EPW/examples/diamond/phonons/Ref/\nq-e-qe-7.5/EPW/examples/diamond/phonons/Ref/ph.out\nq-e-qe-7.5/EPW/examples/diamond/phonons/Ref/scf.out\nq-e-qe-7.5/EPW/examples/diamond/phonons/ph.in\nq-e-qe-7.5/EPW/examples/diamond/phonons/pp.py\nq-e-qe-7.5/EPW/examples/diamond/phonons/scf.in\nq-e-qe-7.5/EPW/examples/diamond/pp/\nq-e-qe-7.5/EPW/examples/diamond/pp/C_3.98148.UPF\nq-e-qe-7.5/EPW/examples/gan/\nq-e-qe-7.5/EPW/examples/gan/epw/\nq-e-qe-7.5/EPW/examples/gan/epw/epw.in\nq-e-qe-7.5/EPW/examples/gan/epw/gan_band.qpt\nq-e-qe-7.5/EPW/examples/gan/epw/nscf.in\nq-e-qe-7.5/EPW/examples/gan/epw/scf.in\nq-e-qe-7.5/EPW/examples/gan/phonons/\nq-e-qe-7.5/EPW/examples/gan/phonons/ph.in\nq-e-qe-7.5/EPW/examples/gan/phonons/pp.py\nq-e-qe-7.5/EPW/examples/gan/phonons/scf.in\nq-e-qe-7.5/EPW/examples/gan/pp/\nq-e-qe-7.5/EPW/examples/gan/pp/Ga_ONCV_LDA-1.0.upf\nq-e-qe-7.5/EPW/examples/gan/pp/N_ONCV_LDA-1.0.upf\nq-e-qe-7.5/EPW/examples/lif_hdf5/\nq-e-qe-7.5/EPW/examples/lif_hdf5/11-epsilon/\nq-e-qe-7.5/EPW/examples/lif_hdf5/11-epsilon/epsilon.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/11-epsilon/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/12-sigma/\nq-e-qe-7.5/EPW/examples/lif_hdf5/12-sigma/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/12-sigma/sigma.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/13-kernel/\nq-e-qe-7.5/EPW/examples/lif_hdf5/13-kernel/kernel.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/13-kernel/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/14-absorption/\nq-e-qe-7.5/EPW/examples/lif_hdf5/14-absorption/absorption.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/14-absorption/plotxct.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/14-absorption/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/14-absorption/summarize_eigenvectors.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/README.txt\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/epw1.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/epw2.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/epw3.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/path.kpt\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/ph.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/run.epw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/run.ph.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/scf.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/01-Density/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/01-Density/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/01-Density/scf.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/run-pw2bgw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.pp.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/run-pw2bgw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.pp.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/run-pw2bgw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.pp.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/run-pw2bgw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.pp.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/run-pw2bgw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.pp.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/link.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/generate_ex_band.py\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/link.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/run.bse.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/kernel.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/absorption.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/pseudos/\nq-e-qe-7.5/EPW/examples/lif_hdf5/pseudos/F.upf\nq-e-qe-7.5/EPW/examples/lif_hdf5/pseudos/Li.upf\nq-e-qe-7.5/EPW/examples/lif_hdf5/run.espresso.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/setup.sh\nq-e-qe-7.5/EPW/examples/mgb2/\nq-e-qe-7.5/EPW/examples/mgb2/epw/\nq-e-qe-7.5/EPW/examples/mgb2/epw/epw.in\nq-e-qe-7.5/EPW/examples/mgb2/epw/nscf.in\nq-e-qe-7.5/EPW/examples/mgb2/epw/scf.in\nq-e-qe-7.5/EPW/examples/mgb2/phonons/\nq-e-qe-7.5/EPW/examples/mgb2/phonons/ph.in\nq-e-qe-7.5/EPW/examples/mgb2/phonons/pp.py\nq-e-qe-7.5/EPW/examples/mgb2/phonons/scf.in\nq-e-qe-7.5/EPW/examples/mgb2/pp/\nq-e-qe-7.5/EPW/examples/mgb2/pp/B.pz-vbc.UPF\nq-e-qe-7.5/EPW/examples/mgb2/pp/Mg.pz-n-vbc.UPF\nq-e-qe-7.5/EPW/examples/pb/\nq-e-qe-7.5/EPW/examples/pb/pp/\nq-e-qe-7.5/EPW/examples/pb/pp/pb_s.UPF\nq-e-qe-7.5/EPW/examples/pb/wSOC/\nq-e-qe-7.5/EPW/examples/pb/wSOC/epw/\nq-e-qe-7.5/EPW/examples/pb/wSOC/epw/epw.in\nq-e-qe-7.5/EPW/examples/pb/wSOC/epw/nscf.in\nq-e-qe-7.5/EPW/examples/pb/wSOC/epw/scf.in\nq-e-qe-7.5/EPW/examples/pb/wSOC/phonons/\nq-e-qe-7.5/EPW/examples/pb/wSOC/phonons/ph.in\nq-e-qe-7.5/EPW/examples/pb/wSOC/phonons/pp.py\nq-e-qe-7.5/EPW/examples/pb/wSOC/phonons/scf.in\nq-e-qe-7.5/EPW/examples/pb/woSOC/\nq-e-qe-7.5/EPW/examples/pb/woSOC/epw/\nq-e-qe-7.5/EPW/examples/pb/woSOC/epw/epw.in\nq-e-qe-7.5/EPW/examples/pb/woSOC/epw/nscf.in\nq-e-qe-7.5/EPW/examples/pb/woSOC/epw/scf.in\nq-e-qe-7.5/EPW/examples/pb/woSOC/phonons/\nq-e-qe-7.5/EPW/examples/pb/woSOC/phonons/ph.in\nq-e-qe-7.5/EPW/examples/pb/woSOC/phonons/pp.py\nq-e-qe-7.5/EPW/examples/pb/woSOC/phonons/scf.in\nq-e-qe-7.5/EPW/examples/sic/\nq-e-qe-7.5/EPW/examples/sic/epw/\nq-e-qe-7.5/EPW/examples/sic/epw/epw.in\nq-e-qe-7.5/EPW/examples/sic/epw/meshes/\nq-e-qe-7.5/EPW/examples/sic/epw/meshes/10.dat\nq-e-qe-7.5/EPW/examples/sic/epw/nscf.in\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/decay.H\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/decay.P\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/decay.dynmat\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/decay.epmat_wanep\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/decay.epwane\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/epw.out\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/nscf.out\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/scf.out\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/sic.wout\nq-e-qe-7.5/EPW/examples/sic/epw/scf.in\nq-e-qe-7.5/EPW/examples/sic/phonons/\nq-e-qe-7.5/EPW/examples/sic/phonons/out.ref/\nq-e-qe-7.5/EPW/examples/sic/phonons/out.ref/scf.out\nq-e-qe-7.5/EPW/examples/sic/phonons/ph.in\nq-e-qe-7.5/EPW/examples/sic/phonons/pp.py\nq-e-qe-7.5/EPW/examples/sic/phonons/scf.in\nq-e-qe-7.5/EPW/examples/sic/pp/\nq-e-qe-7.5/EPW/examples/sic/pp/C.UPF\nq-e-qe-7.5/EPW/examples/sic/pp/Si.pz-vbc.UPF\nq-e-qe-7.5/EPW/irobjs/\nq-e-qe-7.5/EPW/irobjs/Makefile\nq-e-qe-7.5/EPW/irobjs/README.md\nq-e-qe-7.5/EPW/irobjs/ir_nlambda5_ndigit6.dat\nq-e-qe-7.5/EPW/src/\nq-e-qe-7.5/EPW/src/Makefile\nq-e-qe-7.5/EPW/src/bloch2wannier.f90\nq-e-qe-7.5/EPW/src/close.f90\nq-e-qe-7.5/EPW/src/cumulant.f90\nq-e-qe-7.5/EPW/src/dvqpsi.f90\nq-e-qe-7.5/EPW/src/ep_coarse.f90\nq-e-qe-7.5/EPW/src/ep_coarse_unfolding.f90\nq-e-qe-7.5/EPW/src/ep_constants.f90\nq-e-qe-7.5/EPW/src/epw.f90\nq-e-qe-7.5/EPW/src/exphonon.f90\nq-e-qe-7.5/EPW/src/expolaron.f90\nq-e-qe-7.5/EPW/src/global_var.f90\nq-e-qe-7.5/EPW/src/indabs.f90\nq-e-qe-7.5/EPW/src/init.f90\nq-e-qe-7.5/EPW/src/input.f90\nq-e-qe-7.5/EPW/src/io/\nq-e-qe-7.5/EPW/src/io/change.sh\nq-e-qe-7.5/EPW/src/io/io.f90\nq-e-qe-7.5/EPW/src/io/io_ahc.f90\nq-e-qe-7.5/EPW/src/io/io_indabs.f90\nq-e-qe-7.5/EPW/src/io/io_selfen.f90\nq-e-qe-7.5/EPW/src/io/io_sparse_ir.f90\nq-e-qe-7.5/EPW/src/io/io_supercond.f90\nq-e-qe-7.5/EPW/src/io/io_transport.f90\nq-e-qe-7.5/EPW/src/io/io_var.f90\nq-e-qe-7.5/EPW/src/longrange.f90\nq-e-qe-7.5/EPW/src/phph.f90\nq-e-qe-7.5/EPW/src/polaron.f90\nq-e-qe-7.5/EPW/src/printing.f90\nq-e-qe-7.5/EPW/src/pw2wan.f90\nq-e-qe-7.5/EPW/src/qdabs.f90\nq-e-qe-7.5/EPW/src/readin.f90\nq-e-qe-7.5/EPW/src/selfen.f90\nq-e-qe-7.5/EPW/src/setups.f90\nq-e-qe-7.5/EPW/src/spectral.f90\nq-e-qe-7.5/EPW/src/stop.f90\nq-e-qe-7.5/EPW/src/summaries.f90\nq-e-qe-7.5/EPW/src/supercond.f90\nq-e-qe-7.5/EPW/src/supercond_aniso.f90\nq-e-qe-7.5/EPW/src/supercond_common.f90\nq-e-qe-7.5/EPW/src/supercond_coul.f90\nq-e-qe-7.5/EPW/src/supercond_driver.f90\nq-e-qe-7.5/EPW/src/supercond_iso.f90\nq-e-qe-7.5/EPW/src/supercond_vertex.f90\nq-e-qe-7.5/EPW/src/tdbe_common.f90\nq-e-qe-7.5/EPW/src/tdbe_driver.f90\nq-e-qe-7.5/EPW/src/tdbe_mod.f90\nq-e-qe-7.5/EPW/src/transport.f90\nq-e-qe-7.5/EPW/src/transport_legacy.f90\nq-e-qe-7.5/EPW/src/transport_mag.f90\nq-e-qe-7.5/EPW/src/use_wannier.f90\nq-e-qe-7.5/EPW/src/utilities/\nq-e-qe-7.5/EPW/src/utilities/bcast_input.f90\nq-e-qe-7.5/EPW/src/utilities/bzgrid.f90\nq-e-qe-7.5/EPW/src/utilities/change.sh\nq-e-qe-7.5/EPW/src/utilities/check_deps.sh\nq-e-qe-7.5/EPW/src/utilities/clean_unused_modules.py\nq-e-qe-7.5/EPW/src/utilities/clean_unused_variables.py\nq-e-qe-7.5/EPW/src/utilities/kfold.f90\nq-e-qe-7.5/EPW/src/utilities/kgen.f90\nq-e-qe-7.5/EPW/src/utilities/low_lvl.f90\nq-e-qe-7.5/EPW/src/utilities/nscf2supercond.f90\nq-e-qe-7.5/EPW/src/utilities/parallelism.f90\nq-e-qe-7.5/EPW/src/utilities/screening.f90\nq-e-qe-7.5/EPW/src/utilities/sparse_ir.f90\nq-e-qe-7.5/EPW/src/utilities/symmetry.f90\nq-e-qe-7.5/EPW/src/utilities/utilities.f90\nq-e-qe-7.5/EPW/src/wann_common.f90\nq-e-qe-7.5/EPW/src/wannier.f90\nq-e-qe-7.5/EPW/src/wannier2bloch.f90\nq-e-qe-7.5/EPW/src/wannier2bloch_opt.f90\nq-e-qe-7.5/EPW/src/wannierization.f90\nq-e-qe-7.5/EPW/src/wfpt.f90\nq-e-qe-7.5/EPW/src/wigner.f90\nq-e-qe-7.5/FFTXlib/\nq-e-qe-7.5/FFTXlib/CMakeLists.txt\nq-e-qe-7.5/FFTXlib/Makefile\nq-e-qe-7.5/FFTXlib/README.md\nq-e-qe-7.5/FFTXlib/examples/\nq-e-qe-7.5/FFTXlib/examples/reference/\nq-e-qe-7.5/FFTXlib/examples/reference/fft_test0.out\nq-e-qe-7.5/FFTXlib/examples/run_example\nq-e-qe-7.5/FFTXlib/src/\nq-e-qe-7.5/FFTXlib/src/CMakeLists.txt\nq-e-qe-7.5/FFTXlib/src/Makefile\nq-e-qe-7.5/FFTXlib/src/fft_buffers.f90\nq-e-qe-7.5/FFTXlib/src/fft_error.f90\nq-e-qe-7.5/FFTXlib/src/fft_fwinv.f90\nq-e-qe-7.5/FFTXlib/src/fft_ggen.f90\nq-e-qe-7.5/FFTXlib/src/fft_helper_subroutines.f90\nq-e-qe-7.5/FFTXlib/src/fft_interfaces.f90\nq-e-qe-7.5/FFTXlib/src/fft_interpolate.f90\nq-e-qe-7.5/FFTXlib/src/fft_parallel.f90\nq-e-qe-7.5/FFTXlib/src/fft_parallel_2d.f90\nq-e-qe-7.5/FFTXlib/src/fft_param.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.DFTI.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.ESSL.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.FFTW.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.FFTW3.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.SX6.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.cuFFT.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.f90\nq-e-qe-7.5/FFTXlib/src/fft_scatter.f90\nq-e-qe-7.5/FFTXlib/src/fft_scatter_2d.f90\nq-e-qe-7.5/FFTXlib/src/fft_scatter_2d_gpu.f90\nq-e-qe-7.5/FFTXlib/src/fft_scatter_gpu.f90\nq-e-qe-7.5/FFTXlib/src/fft_smallbox.f90\nq-e-qe-7.5/FFTXlib/src/fft_smallbox_type.f90\nq-e-qe-7.5/FFTXlib/src/fft_stick.c\nq-e-qe-7.5/FFTXlib/src/fft_support.f90\nq-e-qe-7.5/FFTXlib/src/fft_types.f90\nq-e-qe-7.5/FFTXlib/src/fftw.c\nq-e-qe-7.5/FFTXlib/src/fftw.h\nq-e-qe-7.5/FFTXlib/src/fftw_dp.c\nq-e-qe-7.5/FFTXlib/src/fftw_dp.h\nq-e-qe-7.5/FFTXlib/src/fftw_interfaces.f90\nq-e-qe-7.5/FFTXlib/src/fftw_sp.c\nq-e-qe-7.5/FFTXlib/src/fftw_sp.h\nq-e-qe-7.5/FFTXlib/src/konst.h\nq-e-qe-7.5/FFTXlib/src/scatter_mod.f90\nq-e-qe-7.5/FFTXlib/src/stick_base.f90\nq-e-qe-7.5/FFTXlib/src/tg_gather.f90\nq-e-qe-7.5/FFTXlib/tests/\nq-e-qe-7.5/FFTXlib/tests/CMakeLists.txt\nq-e-qe-7.5/FFTXlib/tests/Makefile\nq-e-qe-7.5/FFTXlib/tests/fft_test.f90\nq-e-qe-7.5/FFTXlib/tests/gen_test_params.py\nq-e-qe-7.5/FFTXlib/tests/recips.f90\nq-e-qe-7.5/FFTXlib/tests/sort.f90\nq-e-qe-7.5/FFTXlib/tests/test_fft_scalar_gpu.f90\nq-e-qe-7.5/FFTXlib/tests/test_fft_scatter_mod_gpu.f90\nq-e-qe-7.5/FFTXlib/tests/test_fwinv_gpu.f90\nq-e-qe-7.5/FFTXlib/tests/tester.f90\nq-e-qe-7.5/FFTXlib/tests/utils.f90\nq-e-qe-7.5/GUI/\nq-e-qe-7.5/GUI/CMakeLists.txt\nq-e-qe-7.5/GUI/Guib/\nq-e-qe-7.5/GUI/Guib/AUTHORS\nq-e-qe-7.5/GUI/Guib/BUGS\nq-e-qe-7.5/GUI/Guib/COPYING\nq-e-qe-7.5/GUI/Guib/COPYRIGHT\nq-e-qe-7.5/GUI/Guib/ChangeLog\nq-e-qe-7.5/GUI/Guib/INSTALL\nq-e-qe-7.5/GUI/Guib/Makefile\nq-e-qe-7.5/GUI/Guib/NEWS\nq-e-qe-7.5/GUI/Guib/README\nq-e-qe-7.5/GUI/Guib/THANKS\nq-e-qe-7.5/GUI/Guib/TODO\nq-e-qe-7.5/GUI/Guib/VERSION\nq-e-qe-7.5/GUI/Guib/doc/\nq-e-qe-7.5/GUI/Guib/doc/Makefile\nq-e-qe-7.5/GUI/Guib/doc/diagrams/\nq-e-qe-7.5/GUI/Guib/doc/diagrams/GUI-new.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/GUI-new.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/GUI-open.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/GUI-open.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/Guib.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/Guib.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/Makefile\nq-e-qe-7.5/GUI/Guib/doc/diagrams/PWgui.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/PWgui.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/myGUI.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/myGUI.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/myGUI.tcl\nq-e-qe-7.5/GUI/Guib/doc/diagrams/parsing.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/parsing.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/topng.sh\nq-e-qe-7.5/GUI/Guib/doc/robodoc.rc\nq-e-qe-7.5/GUI/Guib/doc/usage.tex\nq-e-qe-7.5/GUI/Guib/examples/\nq-e-qe-7.5/GUI/Guib/examples/README\nq-e-qe-7.5/GUI/Guib/examples/dimension.inp\nq-e-qe-7.5/GUI/Guib/examples/dimension.tcl\nq-e-qe-7.5/GUI/Guib/examples/kpoints.inp\nq-e-qe-7.5/GUI/Guib/examples/kpoints.tcl\nq-e-qe-7.5/GUI/Guib/examples/pages.inp\nq-e-qe-7.5/GUI/Guib/examples/pages.tcl\nq-e-qe-7.5/GUI/Guib/examples/run.sh\nq-e-qe-7.5/GUI/Guib/examples/simpleSim.inp\nq-e-qe-7.5/GUI/Guib/examples/simpleSim.tcl\nq-e-qe-7.5/GUI/Guib/examples/two_pages.tcl\nq-e-qe-7.5/GUI/Guib/examples/validate.inp\nq-e-qe-7.5/GUI/Guib/examples/validate.tcl\nq-e-qe-7.5/GUI/Guib/external/\nq-e-qe-7.5/GUI/Guib/external/lib/\nq-e-qe-7.5/GUI/Guib/external/lib/cmdline/\nq-e-qe-7.5/GUI/Guib/external/lib/cmdline/cmdline.tcl\nq-e-qe-7.5/GUI/Guib/external/lib/cmdline/pkgIndex.tcl\nq-e-qe-7.5/GUI/Guib/external/lib/fileutil/\nq-e-qe-7.5/GUI/Guib/external/lib/fileutil/fileutil.tcl\nq-e-qe-7.5/GUI/Guib/external/lib/fileutil/pkgIndex.tcl\nq-e-qe-7.5/GUI/Guib/external/lib/license.terms\nq-e-qe-7.5/GUI/Guib/external/lib/pkgIndex.tcl\nq-e-qe-7.5/GUI/Guib/guib\nq-e-qe-7.5/GUI/Guib/guib.bat\nq-e-qe-7.5/GUI/Guib/guib.tcl\nq-e-qe-7.5/GUI/Guib/guib.theme\nq-e-qe-7.5/GUI/Guib/header.tcl\nq-e-qe-7.5/GUI/Guib/images/\nq-e-qe-7.5/GUI/Guib/images/exit2.gif\nq-e-qe-7.5/GUI/Guib/images/fileclose2.gif\nq-e-qe-7.5/GUI/Guib/images/filenew2.gif\nq-e-qe-7.5/GUI/Guib/images/fileopen2.gif\nq-e-qe-7.5/GUI/Guib/images/filesave2.gif\nq-e-qe-7.5/GUI/Guib/images/filesaveas2.gif\nq-e-qe-7.5/GUI/Guib/images/icons.license\nq-e-qe-7.5/GUI/Guib/init.tcl\nq-e-qe-7.5/GUI/Guib/lib/\nq-e-qe-7.5/GUI/Guib/lib/Makefile\nq-e-qe-7.5/GUI/Guib/lib/aindex\nq-e-qe-7.5/GUI/Guib/lib/header.tcl\nq-e-qe-7.5/GUI/Guib/lib/pkgIndex.tcl\nq-e-qe-7.5/GUI/Guib/lib/tclIndex\nq-e-qe-7.5/GUI/Guib/lib/tclUtils.tcl\nq-e-qe-7.5/GUI/Guib/lib/tkUtils.tcl\nq-e-qe-7.5/GUI/Guib/pkgIndex.tcl\nq-e-qe-7.5/GUI/Guib/src/\nq-e-qe-7.5/GUI/Guib/src/Makefile\nq-e-qe-7.5/GUI/Guib/src/aindex\nq-e-qe-7.5/GUI/Guib/src/build.itcl\nq-e-qe-7.5/GUI/Guib/src/dialogshell.itcl\nq-e-qe-7.5/GUI/Guib/src/fnml.tcl\nq-e-qe-7.5/GUI/Guib/src/gui.itcl\nq-e-qe-7.5/GUI/Guib/src/guib-keywords-def.tcl\nq-e-qe-7.5/GUI/Guib/src/guib.itcl\nq-e-qe-7.5/GUI/Guib/src/guibKeywords.itcl\nq-e-qe-7.5/GUI/Guib/src/guibUtils.itcl\nq-e-qe-7.5/GUI/Guib/src/help.itcl\nq-e-qe-7.5/GUI/Guib/src/keywidgets.itcl\nq-e-qe-7.5/GUI/Guib/src/keywordObj.itcl\nq-e-qe-7.5/GUI/Guib/src/moduleObj.itcl\nq-e-qe-7.5/GUI/Guib/src/open.itcl\nq-e-qe-7.5/GUI/Guib/src/optionmenuhelp.itcl\nq-e-qe-7.5/GUI/Guib/src/radioboxhelp.itcl\nq-e-qe-7.5/GUI/Guib/src/save.itcl\nq-e-qe-7.5/GUI/Guib/src/simpleGui.itcl\nq-e-qe-7.5/GUI/Guib/src/spininthelp.itcl\nq-e-qe-7.5/GUI/Guib/src/store.itcl\nq-e-qe-7.5/GUI/Guib/src/table.itcl\nq-e-qe-7.5/GUI/Guib/src/tclIndex\nq-e-qe-7.5/GUI/Guib/src/text.itcl\nq-e-qe-7.5/GUI/Guib/src/validate.itcl\nq-e-qe-7.5/GUI/Guib/src/widgets.itcl\nq-e-qe-7.5/GUI/Guib/sys_utils/\nq-e-qe-7.5/GUI/Guib/sys_utils/mgt.tabs\nq-e-qe-7.5/GUI/Guib/sys_utils/repack.sh\nq-e-qe-7.5/GUI/Makefile\nq-e-qe-7.5/GUI/PWgui/\nq-e-qe-7.5/GUI/PWgui/AUTHORS\nq-e-qe-7.5/GUI/PWgui/BUGS\nq-e-qe-7.5/GUI/PWgui/COPYING\nq-e-qe-7.5/GUI/PWgui/COPYRIGHT\nq-e-qe-7.5/GUI/PWgui/ChangeLog\nq-e-qe-7.5/GUI/PWgui/INSTALL\nq-e-qe-7.5/GUI/PWgui/INSTALL.repository\nq-e-qe-7.5/GUI/PWgui/Makefile\nq-e-qe-7.5/GUI/PWgui/NEWS\nq-e-qe-7.5/GUI/PWgui/README\nq-e-qe-7.5/GUI/PWgui/README.developer\nq-e-qe-7.5/GUI/PWgui/THANKS\nq-e-qe-7.5/GUI/PWgui/TODO\nq-e-qe-7.5/GUI/PWgui/VERSION\nq-e-qe-7.5/GUI/PWgui/doc/\nq-e-qe-7.5/GUI/PWgui/doc/Makefile\nq-e-qe-7.5/GUI/PWgui/doc/htmlise.sh\nq-e-qe-7.5/GUI/PWgui/examples/\nq-e-qe-7.5/GUI/PWgui/examples/atomic/\nq-e-qe-7.5/GUI/PWgui/examples/atomic/pt.all_electron.in\nq-e-qe-7.5/GUI/PWgui/examples/atomic/pt.pseudo_gen.in\nq-e-qe-7.5/GUI/PWgui/examples/atomic/rh.pseudo_test.in\nq-e-qe-7.5/GUI/PWgui/examples/d3/\nq-e-qe-7.5/GUI/PWgui/examples/d3/sample.d3.inp\nq-e-qe-7.5/GUI/PWgui/examples/neb.dat/\nq-e-qe-7.5/GUI/PWgui/examples/neb.dat/neb.dat\nq-e-qe-7.5/GUI/PWgui/examples/ph/\nq-e-qe-7.5/GUI/PWgui/examples/ph/sample.ph.inp\nq-e-qe-7.5/GUI/PWgui/examples/pp/\nq-e-qe-7.5/GUI/PWgui/examples/pp/psi2-noncolin.pp.in\nq-e-qe-7.5/GUI/PWgui/examples/pp/psi2-v2.pp.inp\nq-e-qe-7.5/GUI/PWgui/examples/pp/psi2.pp.inp\nq-e-qe-7.5/GUI/PWgui/examples/projwfc/\nq-e-qe-7.5/GUI/PWgui/examples/projwfc/sample.pr.inp\nq-e-qe-7.5/GUI/PWgui/examples/pw/\nq-e-qe-7.5/GUI/PWgui/examples/pw/Si_band.pw.inp\nq-e-qe-7.5/GUI/PWgui/examples/pw/Si_scf.pw.inp\nq-e-qe-7.5/GUI/PWgui/examples/pw/abc.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/addit-k-points.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/additional_k_points\nq-e-qe-7.5/GUI/PWgui/examples/pw/al.band.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/al.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/atomic_positions\nq-e-qe-7.5/GUI/PWgui/examples/pw/cu.band.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/cu.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/hubbard+occup.pw.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/hubbard.pw.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/k_points\nq-e-qe-7.5/GUI/PWgui/examples/pw/ni.band.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/ni.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/occup+hubbard.pw.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/occupations.pw.inp\nq-e-qe-7.5/GUI/PWgui/examples/pw/sample.pw.inp\nq-e-qe-7.5/GUI/PWgui/examples/pw/si.band.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/si.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/vdw_corr.in\nq-e-qe-7.5/GUI/PWgui/external/\nq-e-qe-7.5/GUI/PWgui/external/lib/\nq-e-qe-7.5/GUI/PWgui/external/lib/Makefile\nq-e-qe-7.5/GUI/PWgui/external/lib/license.terms\nq-e-qe-7.5/GUI/PWgui/external/src/\nq-e-qe-7.5/GUI/PWgui/external/src/Makefile\nq-e-qe-7.5/GUI/PWgui/external/src/license.terms\nq-e-qe-7.5/GUI/PWgui/external/src/tkAppInit.c\nq-e-qe-7.5/GUI/PWgui/header.tcl\nq-e-qe-7.5/GUI/PWgui/images/\nq-e-qe-7.5/GUI/PWgui/images/license.terms\nq-e-qe-7.5/GUI/PWgui/images/pwgui-logo.gif\nq-e-qe-7.5/GUI/PWgui/images/pwgui-logo.xcf.bz2\nq-e-qe-7.5/GUI/PWgui/images/pwscf-logo.gif\nq-e-qe-7.5/GUI/PWgui/init.tcl\nq-e-qe-7.5/GUI/PWgui/lib/\nq-e-qe-7.5/GUI/PWgui/lib/.dont-delete\nq-e-qe-7.5/GUI/PWgui/make.usage\nq-e-qe-7.5/GUI/PWgui/modules/\nq-e-qe-7.5/GUI/PWgui/modules/atomic/\nq-e-qe-7.5/GUI/PWgui/modules/atomic/atomic-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/atomic/atomic-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/atomic/atomic.tcl\nq-e-qe-7.5/GUI/PWgui/modules/atomic/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/bands/\nq-e-qe-7.5/GUI/PWgui/modules/bands/bands-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/bands/bands-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/bands/bands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/bands/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/d3/\nq-e-qe-7.5/GUI/PWgui/modules/d3/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/d3/d3-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/d3/d3-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/d3/d3.tcl\nq-e-qe-7.5/GUI/PWgui/modules/dos/\nq-e-qe-7.5/GUI/PWgui/modules/dos/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/dos/dos-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/dos/dos-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/dos/dos.tcl\nq-e-qe-7.5/GUI/PWgui/modules/hp/\nq-e-qe-7.5/GUI/PWgui/modules/hp/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/hp/hp-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/hp/hp-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/hp/hp.tcl\nq-e-qe-7.5/GUI/PWgui/modules/neb/\nq-e-qe-7.5/GUI/PWgui/modules/neb/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/neb/neb-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/neb/neb-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/neb/neb.tcl\nq-e-qe-7.5/GUI/PWgui/modules/ph/\nq-e-qe-7.5/GUI/PWgui/modules/ph/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/ph/ph-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/ph/ph-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/ph/ph.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pp/\nq-e-qe-7.5/GUI/PWgui/modules/pp/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pp/pp-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pp/pp-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pp/pp.tcl\nq-e-qe-7.5/GUI/PWgui/modules/projwfc/\nq-e-qe-7.5/GUI/PWgui/modules/projwfc/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/projwfc/projwfc-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/projwfc/projwfc-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/projwfc/projwfc.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pw/\nq-e-qe-7.5/GUI/PWgui/modules/pw/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pw/pw-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pw/pw-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pw/pw.tcl\nq-e-qe-7.5/GUI/PWgui/pwgui\nq-e-qe-7.5/GUI/PWgui/pwgui.bat\nq-e-qe-7.5/GUI/PWgui/pwgui.settings\nq-e-qe-7.5/GUI/PWgui/pwgui.tcl\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/MakeDir.sh\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/Makefile\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/README\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/darwin-ppc.sh\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/linux-x86.sh\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/linux-x86_64.sh\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/make.darwin\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/make.linux\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/make.win32\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/win32.sh\nq-e-qe-7.5/GUI/PWgui/src/\nq-e-qe-7.5/GUI/PWgui/src/Makefile\nq-e-qe-7.5/GUI/PWgui/src/about.html\nq-e-qe-7.5/GUI/PWgui/src/aindex\nq-e-qe-7.5/GUI/PWgui/src/auxil.itcl\nq-e-qe-7.5/GUI/PWgui/src/edit.itcl\nq-e-qe-7.5/GUI/PWgui/src/init.itcl\nq-e-qe-7.5/GUI/PWgui/src/menustate.itcl\nq-e-qe-7.5/GUI/PWgui/src/modutil.itcl\nq-e-qe-7.5/GUI/PWgui/src/pwscf.itcl\nq-e-qe-7.5/GUI/PWgui/src/pwscf.theme\nq-e-qe-7.5/GUI/PWgui/src/run.itcl\nq-e-qe-7.5/GUI/PWgui/src/settings.itcl\nq-e-qe-7.5/GUI/PWgui/src/tclIndex\nq-e-qe-7.5/GUI/PWgui/src/view.itcl\nq-e-qe-7.5/GUI/PWgui/sys_utils/\nq-e-qe-7.5/GUI/PWgui/sys_utils/bin.sh\nq-e-qe-7.5/GUI/PWgui/sys_utils/make.guib\nq-e-qe-7.5/GUI/PWgui/sys_utils/publish.sh\nq-e-qe-7.5/GUI/PWgui/sys_utils/repack.sh\nq-e-qe-7.5/GUI/PWgui/sys_utils/starkit.sh\nq-e-qe-7.5/GUI/PWgui/tests/\nq-e-qe-7.5/GUI/PWgui/tests/run-tests.sh\nq-e-qe-7.5/GUI/QE-modes/\nq-e-qe-7.5/GUI/QE-modes/Doc/\nq-e-qe-7.5/GUI/QE-modes/Doc/Makefile\nq-e-qe-7.5/GUI/QE-modes/Doc/highlight.png\nq-e-qe-7.5/GUI/QE-modes/Doc/insert-template.png\nq-e-qe-7.5/GUI/QE-modes/Doc/user_guide.pdf\nq-e-qe-7.5/GUI/QE-modes/Doc/user_guide.tex\nq-e-qe-7.5/GUI/QE-modes/Makefile\nq-e-qe-7.5/GUI/QE-modes/README\nq-e-qe-7.5/GUI/QE-modes/README.repository\nq-e-qe-7.5/GUI/QE-modes/THANKS\nq-e-qe-7.5/GUI/QE-modes/install.sh\nq-e-qe-7.5/GUI/QE-modes/qe-modes.emacs\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/README\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/autoload-specific.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/bands.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/card-noflags.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/card.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/cp.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/dos.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/dynmat.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/header.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/insert-template.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/ld1.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/namelist.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/neb.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/ph.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/pp.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/projwfc.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/pw.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/pwtk-mode.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/qe-all-modes.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/qe-all-modes.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/qe-funcs.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/qe-mode.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/qe-modes.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/stringvar.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/supercard-open.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/supercard.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/var.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes/\nq-e-qe-7.5/GUI/QE-modes/qe-modes/cp-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/ld1-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/neb-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/ph-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/pp-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/pw-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/pwtk-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/qe-funcs.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/qe-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/qe-modes.el\nq-e-qe-7.5/GUI/README\nq-e-qe-7.5/GWW/\nq-e-qe-7.5/GWW/CMakeLists.txt\nq-e-qe-7.5/GWW/Makefile\nq-e-qe-7.5/GWW/bse/\nq-e-qe-7.5/GWW/bse/Makefile\nq-e-qe-7.5/GWW/bse/absorption.f90\nq-e-qe-7.5/GWW/bse/bse_basic_structure.f90\nq-e-qe-7.5/GWW/bse/bse_main.f90\nq-e-qe-7.5/GWW/bse/bse_wannier.f90\nq-e-qe-7.5/GWW/bse/cgsolve.f90\nq-e-qe-7.5/GWW/bse/check_basis.f90\nq-e-qe-7.5/GWW/bse/conj_grad_stuff.f90\nq-e-qe-7.5/GWW/bse/conjgrad.f90\nq-e-qe-7.5/GWW/bse/contract_w_exc.f90\nq-e-qe-7.5/GWW/bse/diago_exc.f90\nq-e-qe-7.5/GWW/bse/direct_v_exc.f90\nq-e-qe-7.5/GWW/bse/direct_w_exc.f90\nq-e-qe-7.5/GWW/bse/direct_www.f90\nq-e-qe-7.5/GWW/bse/dvpsi_bse.f90\nq-e-qe-7.5/GWW/bse/exc_h_a.f90\nq-e-qe-7.5/GWW/bse/exchange_exc.f90\nq-e-qe-7.5/GWW/bse/exciton.f90\nq-e-qe-7.5/GWW/bse/find_eig.f90\nq-e-qe-7.5/GWW/bse/h_h.f90\nq-e-qe-7.5/GWW/bse/lanczos.f90\nq-e-qe-7.5/GWW/bse/openfil_bse.f90\nq-e-qe-7.5/GWW/bse/plot_excwfn.f90\nq-e-qe-7.5/GWW/bse/print_bse.f90\nq-e-qe-7.5/GWW/bse/print_spectrum.f90\nq-e-qe-7.5/GWW/bse/qpcorrections.f90\nq-e-qe-7.5/GWW/bse/qpe_exc.f90\nq-e-qe-7.5/GWW/bse/read_export.f90\nq-e-qe-7.5/GWW/bse/rotate_wannier.f90\nq-e-qe-7.5/GWW/bse/sdescent.f90\nq-e-qe-7.5/GWW/bse/spectrum.f90\nq-e-qe-7.5/GWW/bse/start_bse.f90\nq-e-qe-7.5/GWW/bse/tmp.f90\nq-e-qe-7.5/GWW/bse/transitions.f90\nq-e-qe-7.5/GWW/bse/tspace.f90\nq-e-qe-7.5/GWW/bse/write_wannier_matrix.f90\nq-e-qe-7.5/GWW/doc/\nq-e-qe-7.5/GWW/doc/README\nq-e-qe-7.5/GWW/doc/make.sys_SCALAPACK\nq-e-qe-7.5/GWW/examples/\nq-e-qe-7.5/GWW/examples/README\nq-e-qe-7.5/GWW/examples/example01/\nq-e-qe-7.5/GWW/examples/example01/methane_gww.in\nq-e-qe-7.5/GWW/examples/example01/methane_gww_steps.in\nq-e-qe-7.5/GWW/examples/example01/methane_pw4gww.in\nq-e-qe-7.5/GWW/examples/example01/methane_pw4gww_basis.in\nq-e-qe-7.5/GWW/examples/example01/methane_pw4gww_steps.in\nq-e-qe-7.5/GWW/examples/example01/methane_scf.in\nq-e-qe-7.5/GWW/examples/example01/methane_scf_25.in\nq-e-qe-7.5/GWW/examples/example01/methane_scf_35.in\nq-e-qe-7.5/GWW/examples/example01/reference/\nq-e-qe-7.5/GWW/examples/example01/reference/methane_gww.out\nq-e-qe-7.5/GWW/examples/example01/reference/methane_pw4gww.out\nq-e-qe-7.5/GWW/examples/example01/reference/methane_scf.out\nq-e-qe-7.5/GWW/examples/example01/run_example\nq-e-qe-7.5/GWW/examples/example02/\nq-e-qe-7.5/GWW/examples/example02/reference/\nq-e-qe-7.5/GWW/examples/example02/reference/si_gww.out\nq-e-qe-7.5/GWW/examples/example02/reference/si_head.out\nq-e-qe-7.5/GWW/examples/example02/reference/si_nscf.out\nq-e-qe-7.5/GWW/examples/example02/reference/si_pw4gww.out\nq-e-qe-7.5/GWW/examples/example02/reference/si_scf_k.out\nq-e-qe-7.5/GWW/examples/example02/run_example\nq-e-qe-7.5/GWW/examples/example02/si_gww.in\nq-e-qe-7.5/GWW/examples/example02/si_head.in\nq-e-qe-7.5/GWW/examples/example02/si_nscf.in\nq-e-qe-7.5/GWW/examples/example02/si_pw4gww.in\nq-e-qe-7.5/GWW/examples/example02/si_pw4gww_planewaves.in\nq-e-qe-7.5/GWW/examples/example02/si_scf_k.in\nq-e-qe-7.5/GWW/examples/example03/\nq-e-qe-7.5/GWW/examples/example03/run_example\nq-e-qe-7.5/GWW/examples/example04/\nq-e-qe-7.5/GWW/examples/example04/Ag_ONCV_PBE-1.0.upf\nq-e-qe-7.5/GWW/examples/example04/README\nq-e-qe-7.5/GWW/examples/example04/reference/\nq-e-qe-7.5/GWW/examples/example04/reference/ag.dos_broadening.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.eels.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.eps_inter_im.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.eps_inter_re.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.eps_tot_im.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.eps_tot_re.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.jdos.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.optical_constants.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag_nscf.in\nq-e-qe-7.5/GWW/examples/example04/reference/ag_nscf.out\nq-e-qe-7.5/GWW/examples/example04/reference/ag_scf.in\nq-e-qe-7.5/GWW/examples/example04/reference/ag_scf.out\nq-e-qe-7.5/GWW/examples/example04/reference/ag_simple.in\nq-e-qe-7.5/GWW/examples/example04/reference/ag_simple.out\nq-e-qe-7.5/GWW/examples/example04/reference/ag_simple_ip.in\nq-e-qe-7.5/GWW/examples/example04/reference/ag_simple_ip.out\nq-e-qe-7.5/GWW/examples/example04/reference/pippo.txt\nq-e-qe-7.5/GWW/examples/example04/run_example\nq-e-qe-7.5/GWW/examples/example05/\nq-e-qe-7.5/GWW/examples/example05/reference/\nq-e-qe-7.5/GWW/examples/example05/reference/ab_coeff.dat\nq-e-qe-7.5/GWW/examples/example05/reference/abcoeff_to_eps.in\nq-e-qe-7.5/GWW/examples/example05/reference/abcoeff_to_eps.tmp\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps1x.dat\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps1y.dat\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps1z.dat\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps2x.dat\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps2y.dat\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps2z.dat\nq-e-qe-7.5/GWW/examples/example05/reference/si_gww.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_gww.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_head.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_head.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_nscf.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_nscf.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_nscf_k.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_nscf_k.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_pw4gww.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_pw4gww.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_scf_k.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_scf_k.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_simple.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_simple.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_simple_bse.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_simple_bse.out\nq-e-qe-7.5/GWW/examples/example05/run_example\nq-e-qe-7.5/GWW/examples/example06/\nq-e-qe-7.5/GWW/examples/example06/reference/\nq-e-qe-7.5/GWW/examples/example06/reference/silane_bse.out\nq-e-qe-7.5/GWW/examples/example06/reference/silane_pw4gww.out\nq-e-qe-7.5/GWW/examples/example06/reference/silane_scf.out\nq-e-qe-7.5/GWW/examples/example06/run_example\nq-e-qe-7.5/GWW/gww/\nq-e-qe-7.5/GWW/gww/Makefile\nq-e-qe-7.5/GWW/gww/basic_structures.f90\nq-e-qe-7.5/GWW/gww/compact_product.f90\nq-e-qe-7.5/GWW/gww/contour.f90\nq-e-qe-7.5/GWW/gww/create_hf.f90\nq-e-qe-7.5/GWW/gww/create_quasi_particle.f90\nq-e-qe-7.5/GWW/gww/create_quasi_particle_off.f90\nq-e-qe-7.5/GWW/gww/do_contour.f90\nq-e-qe-7.5/GWW/gww/do_polarization_lanczos.f90\nq-e-qe-7.5/GWW/gww/do_self_lanczos.f90\nq-e-qe-7.5/GWW/gww/do_self_lanczos_full.f90\nq-e-qe-7.5/GWW/gww/do_self_lanczos_time.f90\nq-e-qe-7.5/GWW/gww/energies_gww.f90\nq-e-qe-7.5/GWW/gww/expansion.f90\nq-e-qe-7.5/GWW/gww/fft_gw.f90\nq-e-qe-7.5/GWW/gww/fit_multipole.f90\nq-e-qe-7.5/GWW/gww/fit_polynomial.f90\nq-e-qe-7.5/GWW/gww/go_dressed_w.f90\nq-e-qe-7.5/GWW/gww/go_exchange.f90\nq-e-qe-7.5/GWW/gww/go_fft.f90\nq-e-qe-7.5/GWW/gww/go_green.f90\nq-e-qe-7.5/GWW/gww/go_polarization.f90\nq-e-qe-7.5/GWW/gww/green_function.f90\nq-e-qe-7.5/GWW/gww/gv_time.f90\nq-e-qe-7.5/GWW/gww/gww.f90\nq-e-qe-7.5/GWW/gww/gww_fit.f90\nq-e-qe-7.5/GWW/gww/input_gw.f90\nq-e-qe-7.5/GWW/gww/lanczos_polarization.f90\nq-e-qe-7.5/GWW/gww/para_gww.f90\nq-e-qe-7.5/GWW/gww/polarization.f90\nq-e-qe-7.5/GWW/gww/read_data_pw.f90\nq-e-qe-7.5/GWW/gww/remainder.f90\nq-e-qe-7.5/GWW/gww/self_energy.f90\nq-e-qe-7.5/GWW/gww/self_energy_storage.f90\nq-e-qe-7.5/GWW/gww/start_end.f90\nq-e-qe-7.5/GWW/gww/times_gw.f90\nq-e-qe-7.5/GWW/gww/vcprim.f90\nq-e-qe-7.5/GWW/head/\nq-e-qe-7.5/GWW/head/Makefile\nq-e-qe-7.5/GWW/head/bcast_gwl_input.f90\nq-e-qe-7.5/GWW/head/close_gwl.f90\nq-e-qe-7.5/GWW/head/gwl_readin.f90\nq-e-qe-7.5/GWW/head/head.f90\nq-e-qe-7.5/GWW/head/lanczos_k.f90\nq-e-qe-7.5/GWW/head/openfilq_gwl.f90\nq-e-qe-7.5/GWW/head/solve_head.f90\nq-e-qe-7.5/GWW/minpack/\nq-e-qe-7.5/GWW/minpack/Makefile\nq-e-qe-7.5/GWW/minpack/dpmpar.f90\nq-e-qe-7.5/GWW/minpack/enorm.f90\nq-e-qe-7.5/GWW/minpack/fdjac2.f90\nq-e-qe-7.5/GWW/minpack/lmder.f90\nq-e-qe-7.5/GWW/minpack/lmder1.f90\nq-e-qe-7.5/GWW/minpack/lmdif.f90\nq-e-qe-7.5/GWW/minpack/lmdif1.f90\nq-e-qe-7.5/GWW/minpack/lmpar.f90\nq-e-qe-7.5/GWW/minpack/mlagzo.f90\nq-e-qe-7.5/GWW/minpack/mlegzo.f90\nq-e-qe-7.5/GWW/minpack/qrfac.f90\nq-e-qe-7.5/GWW/minpack/qrsolv.f90\nq-e-qe-7.5/GWW/minpack/test.f90\nq-e-qe-7.5/GWW/pw4gww/\nq-e-qe-7.5/GWW/pw4gww/Makefile\nq-e-qe-7.5/GWW/pw4gww/allocate_wannier.f90\nq-e-qe-7.5/GWW/pw4gww/calculate_wing.f90\nq-e-qe-7.5/GWW/pw4gww/cgsolve_all_gamma.f90\nq-e-qe-7.5/GWW/pw4gww/contour_terms.f90\nq-e-qe-7.5/GWW/pw4gww/convergence.f90\nq-e-qe-7.5/GWW/pw4gww/dft_exchange.f90\nq-e-qe-7.5/GWW/pw4gww/diago_cg.f90\nq-e-qe-7.5/GWW/pw4gww/diago_cg_g.f90\nq-e-qe-7.5/GWW/pw4gww/easy_gw.f90\nq-e-qe-7.5/GWW/pw4gww/energies_xc.f90\nq-e-qe-7.5/GWW/pw4gww/exchange_custom.f90\nq-e-qe-7.5/GWW/pw4gww/fake_conduction.f90\nq-e-qe-7.5/GWW/pw4gww/fft_custom.f90\nq-e-qe-7.5/GWW/pw4gww/full.f90\nq-e-qe-7.5/GWW/pw4gww/gww_realus.f90\nq-e-qe-7.5/GWW/pw4gww/hpsi_pw4gww.f90\nq-e-qe-7.5/GWW/pw4gww/lanczos_chains.f90\nq-e-qe-7.5/GWW/pw4gww/matrix_wannier_gamma.f90\nq-e-qe-7.5/GWW/pw4gww/mp_wave_parallel.f90\nq-e-qe-7.5/GWW/pw4gww/o_1psi.f90\nq-e-qe-7.5/GWW/pw4gww/o_bands.f90\nq-e-qe-7.5/GWW/pw4gww/o_rinitcgg.f90\nq-e-qe-7.5/GWW/pw4gww/openfil_pw4gww.f90\nq-e-qe-7.5/GWW/pw4gww/operator_1_vp.f90\nq-e-qe-7.5/GWW/pw4gww/operator_debug.f90\nq-e-qe-7.5/GWW/pw4gww/optimal.f90\nq-e-qe-7.5/GWW/pw4gww/pola_lanczos.f90\nq-e-qe-7.5/GWW/pw4gww/pola_partial.f90\nq-e-qe-7.5/GWW/pw4gww/produce_wannier_gamma.f90\nq-e-qe-7.5/GWW/pw4gww/pw4gww.f90\nq-e-qe-7.5/GWW/pw4gww/rotate_wannier.f90\nq-e-qe-7.5/GWW/pw4gww/self_lanczos.f90\nq-e-qe-7.5/GWW/pw4gww/semicore.f90\nq-e-qe-7.5/GWW/pw4gww/semicore_read.f90\nq-e-qe-7.5/GWW/pw4gww/start_pw4gww.f90\nq-e-qe-7.5/GWW/pw4gww/stop_pp.f90\nq-e-qe-7.5/GWW/pw4gww/v_basis.f90\nq-e-qe-7.5/GWW/pw4gww/wannier.f90\nq-e-qe-7.5/GWW/pw4gww/wannier_bse.f90\nq-e-qe-7.5/GWW/pw4gww/wannier_uterms.f90\nq-e-qe-7.5/GWW/pw4gww/wfc_real.f90\nq-e-qe-7.5/GWW/pw4gww/write_vpot_matrix.f90\nq-e-qe-7.5/GWW/pw4gww/write_wannier_matrix.f90\nq-e-qe-7.5/GWW/simple/\nq-e-qe-7.5/GWW/simple/Makefile\nq-e-qe-7.5/GWW/simple/commutator.f90\nq-e-qe-7.5/GWW/simple/epe.f90\nq-e-qe-7.5/GWW/simple/gk_sort_limit.f90\nq-e-qe-7.5/GWW/simple/input_simple.f90\nq-e-qe-7.5/GWW/simple/khamiltonian.f90\nq-e-qe-7.5/GWW/simple/openfile_simple.f90\nq-e-qe-7.5/GWW/simple/product_basis.f90\nq-e-qe-7.5/GWW/simple/read_export.f90\nq-e-qe-7.5/GWW/simple/simple.f90\nq-e-qe-7.5/GWW/simple/stop_pp.f90\nq-e-qe-7.5/GWW/simple/v_product.f90\nq-e-qe-7.5/GWW/simple/wfc_basis.f90\nq-e-qe-7.5/GWW/simple_bse/\nq-e-qe-7.5/GWW/simple_bse/Makefile\nq-e-qe-7.5/GWW/simple_bse/build_eemat.f90\nq-e-qe-7.5/GWW/simple_bse/derived_object.f90\nq-e-qe-7.5/GWW/simple_bse/diago_exc_cg.f90\nq-e-qe-7.5/GWW/simple_bse/diago_exc_sd.f90\nq-e-qe-7.5/GWW/simple_bse/hamiltonian.f90\nq-e-qe-7.5/GWW/simple_bse/input_simple_exc.f90\nq-e-qe-7.5/GWW/simple_bse/lanczos.f90\nq-e-qe-7.5/GWW/simple_bse/simple_bse.f90\nq-e-qe-7.5/GWW/simple_bse/simple_eigen.f90\nq-e-qe-7.5/GWW/simple_bse/simple_object.f90\nq-e-qe-7.5/GWW/simple_bse/spectrum.f90\nq-e-qe-7.5/GWW/simple_bse/start_end.f90\nq-e-qe-7.5/GWW/simple_ip/\nq-e-qe-7.5/GWW/simple_ip/Makefile\nq-e-qe-7.5/GWW/simple_ip/diagonalization.f90\nq-e-qe-7.5/GWW/simple_ip/dielectric.f90\nq-e-qe-7.5/GWW/simple_ip/input_simple_ip.f90\nq-e-qe-7.5/GWW/simple_ip/interpolation.f90\nq-e-qe-7.5/GWW/simple_ip/simple_ip.f90\nq-e-qe-7.5/GWW/simple_ip/simple_ip_objects.f90\nq-e-qe-7.5/GWW/simple_ip/start_end.f90\nq-e-qe-7.5/GWW/simple_ip/tetra_mod1.f90\nq-e-qe-7.5/GWW/simple_ip/tetra_mod2.f90\nq-e-qe-7.5/GWW/util/\nq-e-qe-7.5/GWW/util/Makefile\nq-e-qe-7.5/GWW/util/abcoeff_to_eps.f90\nq-e-qe-7.5/GWW/util/graph.f90\nq-e-qe-7.5/GWW/util/memory_pw4gww.f90\nq-e-qe-7.5/HP/\nq-e-qe-7.5/HP/CMakeLists.txt\nq-e-qe-7.5/HP/Doc/\nq-e-qe-7.5/HP/Doc/INPUT_HP.def\nq-e-qe-7.5/HP/Doc/INPUT_HP.html\nq-e-qe-7.5/HP/Doc/INPUT_HP.txt\nq-e-qe-7.5/HP/Doc/Makefile\nq-e-qe-7.5/HP/Doc/README\nq-e-qe-7.5/HP/Makefile\nq-e-qe-7.5/HP/examples/\nq-e-qe-7.5/HP/examples/README\nq-e-qe-7.5/HP/examples/clean_all\nq-e-qe-7.5/HP/examples/example01/\nq-e-qe-7.5/HP/examples/example01/reference/\nq-e-qe-7.5/HP/examples/example01/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example01/reference/LiCoO2.hp.in\nq-e-qe-7.5/HP/examples/example01/reference/LiCoO2.scf.in\nq-e-qe-7.5/HP/examples/example01/run_example\nq-e-qe-7.5/HP/examples/example02/\nq-e-qe-7.5/HP/examples/example02/README\nq-e-qe-7.5/HP/examples/example02/reference/\nq-e-qe-7.5/HP/examples/example02/reference/NiO.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example02/reference/NiO.hp.in\nq-e-qe-7.5/HP/examples/example02/reference/NiO.scf1.in\nq-e-qe-7.5/HP/examples/example02/reference/NiO.scf2.in\nq-e-qe-7.5/HP/examples/example02/run_example1\nq-e-qe-7.5/HP/examples/example02/run_example2\nq-e-qe-7.5/HP/examples/example03/\nq-e-qe-7.5/HP/examples/example03/reference/\nq-e-qe-7.5/HP/examples/example03/reference/CrI3.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example03/reference/CrI3.hp.in\nq-e-qe-7.5/HP/examples/example03/reference/CrI3.scf1.in\nq-e-qe-7.5/HP/examples/example03/reference/CrI3.scf2.in\nq-e-qe-7.5/HP/examples/example03/run_example\nq-e-qe-7.5/HP/examples/example04/\nq-e-qe-7.5/HP/examples/example04/reference/\nq-e-qe-7.5/HP/examples/example04/reference/Ni.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example04/reference/Ni.hp.in\nq-e-qe-7.5/HP/examples/example04/reference/Ni.scf.in\nq-e-qe-7.5/HP/examples/example04/run_example\nq-e-qe-7.5/HP/examples/example05/\nq-e-qe-7.5/HP/examples/example05/reference/\nq-e-qe-7.5/HP/examples/example05/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example05/reference/LiCoO2.hp.in\nq-e-qe-7.5/HP/examples/example05/reference/LiCoO2.scf.in\nq-e-qe-7.5/HP/examples/example05/run_example\nq-e-qe-7.5/HP/examples/example06/\nq-e-qe-7.5/HP/examples/example06/reference/\nq-e-qe-7.5/HP/examples/example06/reference/Ni2MnGa.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example06/reference/Ni2MnGa.hp.Mn.in\nq-e-qe-7.5/HP/examples/example06/reference/Ni2MnGa.hp.Ni.in\nq-e-qe-7.5/HP/examples/example06/reference/Ni2MnGa.hp.final.in\nq-e-qe-7.5/HP/examples/example06/reference/Ni2MnGa.scf.in\nq-e-qe-7.5/HP/examples/example06/run_example\nq-e-qe-7.5/HP/examples/example07/\nq-e-qe-7.5/HP/examples/example07/reference/\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step1.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step2.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step3.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step1.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step2.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step3.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.final.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.scf.in\nq-e-qe-7.5/HP/examples/example07/run_example\nq-e-qe-7.5/HP/examples/example08/\nq-e-qe-7.5/HP/examples/example08/reference/\nq-e-qe-7.5/HP/examples/example08/reference/NiO2.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example08/reference/NiO2.hp.in\nq-e-qe-7.5/HP/examples/example08/reference/NiO2.scf.in\nq-e-qe-7.5/HP/examples/example08/run_example\nq-e-qe-7.5/HP/examples/example09/\nq-e-qe-7.5/HP/examples/example09/reference/\nq-e-qe-7.5/HP/examples/example09/reference/CoO2.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example09/reference/CoO2.hp.in\nq-e-qe-7.5/HP/examples/example09/reference/CoO2.scf.in\nq-e-qe-7.5/HP/examples/example09/run_example\nq-e-qe-7.5/HP/examples/example10/\nq-e-qe-7.5/HP/examples/example10/reference/\nq-e-qe-7.5/HP/examples/example10/reference/HUBBARD.dat\nq-e-qe-7.5/HP/examples/example10/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example10/reference/LiCoO2.hp.in\nq-e-qe-7.5/HP/examples/example10/reference/LiCoO2.scf.in\nq-e-qe-7.5/HP/examples/example10/run_example\nq-e-qe-7.5/HP/examples/run_all_examples\nq-e-qe-7.5/HP/src/\nq-e-qe-7.5/HP/src/Makefile\nq-e-qe-7.5/HP/src/hp_R_points.f90\nq-e-qe-7.5/HP/src/hp_allocate_q.f90\nq-e-qe-7.5/HP/src/hp_bcast_input.f90\nq-e-qe-7.5/HP/src/hp_calc_chi.f90\nq-e-qe-7.5/HP/src/hp_check_pert.f90\nq-e-qe-7.5/HP/src/hp_check_type.f90\nq-e-qe-7.5/HP/src/hp_clean_q.f90\nq-e-qe-7.5/HP/src/hp_close_q.f90\nq-e-qe-7.5/HP/src/hp_dealloc_1.f90\nq-e-qe-7.5/HP/src/hp_dealloc_2.f90\nq-e-qe-7.5/HP/src/hp_dealloc_q.f90\nq-e-qe-7.5/HP/src/hp_dnsq.f90\nq-e-qe-7.5/HP/src/hp_dnstot_sum_q.f90\nq-e-qe-7.5/HP/src/hp_dvpsi_pert.f90\nq-e-qe-7.5/HP/src/hp_find_inequiv_sites.f90\nq-e-qe-7.5/HP/src/hp_generate_grids.f90\nq-e-qe-7.5/HP/src/hp_init.f90\nq-e-qe-7.5/HP/src/hp_init_q.f90\nq-e-qe-7.5/HP/src/hp_load_q.f90\nq-e-qe-7.5/HP/src/hp_main.f90\nq-e-qe-7.5/HP/src/hp_ns_trace.f90\nq-e-qe-7.5/HP/src/hp_openfil_q.f90\nq-e-qe-7.5/HP/src/hp_postproc.f90\nq-e-qe-7.5/HP/src/hp_prepare_q.f90\nq-e-qe-7.5/HP/src/hp_print_clock.f90\nq-e-qe-7.5/HP/src/hp_psym_dmag.f90\nq-e-qe-7.5/HP/src/hp_psymdvscf.f90\nq-e-qe-7.5/HP/src/hp_q_points.f90\nq-e-qe-7.5/HP/src/hp_read_chi.f90\nq-e-qe-7.5/HP/src/hp_read_dnsq.f90\nq-e-qe-7.5/HP/src/hp_readin.f90\nq-e-qe-7.5/HP/src/hp_rotate_dnsq.f90\nq-e-qe-7.5/HP/src/hp_run_nscf.f90\nq-e-qe-7.5/HP/src/hp_setup_q.f90\nq-e-qe-7.5/HP/src/hp_solve_linear_system.f90\nq-e-qe-7.5/HP/src/hp_stop_smoothly.f90\nq-e-qe-7.5/HP/src/hp_summary.f90\nq-e-qe-7.5/HP/src/hp_summary_q.f90\nq-e-qe-7.5/HP/src/hp_sym_dmag.f90\nq-e-qe-7.5/HP/src/hp_symdnsq.f90\nq-e-qe-7.5/HP/src/hp_symdvscf.f90\nq-e-qe-7.5/HP/src/hp_write_chi.f90\nq-e-qe-7.5/HP/src/hp_write_chi_full.f90\nq-e-qe-7.5/HP/src/hp_write_dnsq.f90\nq-e-qe-7.5/HP/src/hpcom.f90\nq-e-qe-7.5/KCW/\nq-e-qe-7.5/KCW/CMakeLists.txt\nq-e-qe-7.5/KCW/Doc/\nq-e-qe-7.5/KCW/Doc/INPUT_kcw.def\nq-e-qe-7.5/KCW/Doc/INPUT_kcw.html\nq-e-qe-7.5/KCW/Doc/INPUT_kcw.txt\nq-e-qe-7.5/KCW/Doc/Makefile\nq-e-qe-7.5/KCW/Doc/input_xx.xsl\nq-e-qe-7.5/KCW/Makefile\nq-e-qe-7.5/KCW/PP/\nq-e-qe-7.5/KCW/PP/CMakeLists.txt\nq-e-qe-7.5/KCW/PP/Makefile\nq-e-qe-7.5/KCW/PP/bcast_kcw_pp_input.f90\nq-e-qe-7.5/KCW/PP/compute_self_hartree.f90\nq-e-qe-7.5/KCW/PP/input_pp_summary.f90\nq-e-qe-7.5/KCW/PP/interp_r_to_k.f90\nq-e-qe-7.5/KCW/PP/kcw_bands.f90\nq-e-qe-7.5/KCW/PP/kcw_pp_readin.f90\nq-e-qe-7.5/KCW/PP/makedeps.sh\nq-e-qe-7.5/KCW/PP/merge_Umat.f90\nq-e-qe-7.5/KCW/PP/merge_wann.f90\nq-e-qe-7.5/KCW/PP/read_hr.f90\nq-e-qe-7.5/KCW/PP/sh_setup.f90\nq-e-qe-7.5/KCW/PP/ups.f90\nq-e-qe-7.5/KCW/diff_7.2-7.1.txt\nq-e-qe-7.5/KCW/diff_wrt_v7.1.txt\nq-e-qe-7.5/KCW/examples/\nq-e-qe-7.5/KCW/examples/.gitignore\nq-e-qe-7.5/KCW/examples/example01/\nq-e-qe-7.5/KCW/examples/example01/README\nq-e-qe-7.5/KCW/examples/example01/compare.sh\nq-e-qe-7.5/KCW/examples/example01/reference/\nq-e-qe-7.5/KCW/examples/example01/reference/Si.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example01/reference/Si.kcw-screen.out\nq-e-qe-7.5/KCW/examples/example01/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example01/reference/Si.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example01/reference/Si.scf.out\nq-e-qe-7.5/KCW/examples/example01/reference/wann_emp/\nq-e-qe-7.5/KCW/examples/example01/reference/wann_emp/Si_emp.wout\nq-e-qe-7.5/KCW/examples/example01/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.5/KCW/examples/example01/reference/wann_occ/\nq-e-qe-7.5/KCW/examples/example01/reference/wann_occ/Si.wout\nq-e-qe-7.5/KCW/examples/example01/reference/wann_occ/Si_band.dat\nq-e-qe-7.5/KCW/examples/example01/run_example\nq-e-qe-7.5/KCW/examples/example01_sym/\nq-e-qe-7.5/KCW/examples/example01_sym/README\nq-e-qe-7.5/KCW/examples/example01_sym/compare.sh\nq-e-qe-7.5/KCW/examples/example01_sym/compare_nosym.sh\nq-e-qe-7.5/KCW/examples/example01_sym/reference/\nq-e-qe-7.5/KCW/examples/example01_sym/reference/Si.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example01_sym/reference/Si.kcw-screen.out\nq-e-qe-7.5/KCW/examples/example01_sym/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example01_sym/reference/Si.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example01_sym/reference/Si.scf.out\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_emp/\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_emp/Si_emp.wout\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_occ/\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_occ/Si.wout\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_occ/Si_band.dat\nq-e-qe-7.5/KCW/examples/example01_sym/run_example\nq-e-qe-7.5/KCW/examples/example02/\nq-e-qe-7.5/KCW/examples/example02/README\nq-e-qe-7.5/KCW/examples/example02/compare.sh\nq-e-qe-7.5/KCW/examples/example02/reference/\nq-e-qe-7.5/KCW/examples/example02/reference/h2o.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example02/reference/h2o.kcw-screen.out\nq-e-qe-7.5/KCW/examples/example02/reference/h2o.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example02/reference/h2o.scf.out\nq-e-qe-7.5/KCW/examples/example02/run_example\nq-e-qe-7.5/KCW/examples/example03/\nq-e-qe-7.5/KCW/examples/example03/compare.sh\nq-e-qe-7.5/KCW/examples/example03/reference/\nq-e-qe-7.5/KCW/examples/example03/reference/Si.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example03/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example03/reference/Si.kcwpp_bands.dat\nq-e-qe-7.5/KCW/examples/example03/reference/Si.kcwpp_interp.out\nq-e-qe-7.5/KCW/examples/example03/reference/Si.kcwpp_sh.out\nq-e-qe-7.5/KCW/examples/example03/reference/Si.scf.out\nq-e-qe-7.5/KCW/examples/example03/reference/wann_emp/\nq-e-qe-7.5/KCW/examples/example03/reference/wann_emp/Si_emp.wout\nq-e-qe-7.5/KCW/examples/example03/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.5/KCW/examples/example03/reference/wann_occ/\nq-e-qe-7.5/KCW/examples/example03/reference/wann_occ/Si.wout\nq-e-qe-7.5/KCW/examples/example03/reference/wann_occ/Si_band.dat\nq-e-qe-7.5/KCW/examples/example03/run_example\nq-e-qe-7.5/KCW/examples/example04/\nq-e-qe-7.5/KCW/examples/example04/README\nq-e-qe-7.5/KCW/examples/example04/compare.sh\nq-e-qe-7.5/KCW/examples/example04/reference/\nq-e-qe-7.5/KCW/examples/example04/reference/GaAs.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example04/reference/GaAs.nscf.out\nq-e-qe-7.5/KCW/examples/example04/reference/GaAs.scf.out\nq-e-qe-7.5/KCW/examples/example04/reference/kc.kho\nq-e-qe-7.5/KCW/examples/example04/reference/kc.w2ko\nq-e-qe-7.5/KCW/examples/example04/reference/merge_U.out\nq-e-qe-7.5/KCW/examples/example04/reference/merge_centres.out\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block1/\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block1/pw2wann.out\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block1/wann.wout\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block1/wann_band.dat\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block1/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block2/\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block2/pw2wann.out\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block2/wann.wout\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block2/wann_band.dat\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block2/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block3/\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block3/pw2wann.out\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block3/wann.wout\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block3/wann_band.dat\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block3/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference/wann_u.mat\nq-e-qe-7.5/KCW/examples/example04/reference_1block/\nq-e-qe-7.5/KCW/examples/example04/reference_1block/GaAs.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example04/reference_1block/GaAs.nscf.out\nq-e-qe-7.5/KCW/examples/example04/reference_1block/GaAs.scf.out\nq-e-qe-7.5/KCW/examples/example04/reference_1block/kc.kho\nq-e-qe-7.5/KCW/examples/example04/reference_1block/kc.w2ko\nq-e-qe-7.5/KCW/examples/example04/reference_1block/merge_U.out\nq-e-qe-7.5/KCW/examples/example04/reference_1block/merge_centres.out\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_block1/\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_block1/pw2wann.out\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_block1/wann.wout\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_block1/wann_band.dat\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_block1/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_u.mat\nq-e-qe-7.5/KCW/examples/example04/run_example\nq-e-qe-7.5/KCW/examples/example04/run_example_1block\nq-e-qe-7.5/KCW/examples/example05.1/\nq-e-qe-7.5/KCW/examples/example05.1/README.md\nq-e-qe-7.5/KCW/examples/example05.1/clean_all.sh\nq-e-qe-7.5/KCW/examples/example05.1/compare.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/CRASH\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/CRASH\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/.kc.w2ko.swp\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/pseudo/\nq-e-qe-7.5/KCW/examples/example05.1/pseudo/Si.upf\nq-e-qe-7.5/KCW/examples/example05.1/pseudo/Si_r.upf\nq-e-qe-7.5/KCW/examples/example05.1/run_all.sh\nq-e-qe-7.5/KCW/examples/example05/\nq-e-qe-7.5/KCW/examples/example05/compare.sh\nq-e-qe-7.5/KCW/examples/example05/reference/\nq-e-qe-7.5/KCW/examples/example05/reference/Si.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example05/reference/Si.kcw-screen.out\nq-e-qe-7.5/KCW/examples/example05/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example05/reference/Si.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example05/reference/Si.scf.out\nq-e-qe-7.5/KCW/examples/example05/reference/wann_emp/\nq-e-qe-7.5/KCW/examples/example05/reference/wann_emp/Si_emp.wout\nq-e-qe-7.5/KCW/examples/example05/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.5/KCW/examples/example05/reference/wann_occ/\nq-e-qe-7.5/KCW/examples/example05/reference/wann_occ/Si.wout\nq-e-qe-7.5/KCW/examples/example05/reference/wann_occ/Si_band.dat\nq-e-qe-7.5/KCW/examples/example05/run_example\nq-e-qe-7.5/KCW/examples/example06/\nq-e-qe-7.5/KCW/examples/example06/README\nq-e-qe-7.5/KCW/examples/example06/compare.sh\nq-e-qe-7.5/KCW/examples/example06/reference/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/file_alpharef.txt\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/merge_U.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/merge_U_emp.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/merge_centre.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/merge_centre_emp.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_emp_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_emp_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/cri3.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/cri3.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/cri3.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/file_alpharef.txt\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/merge_U.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/merge_U_emp.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/merge_centre.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/merge_centre_emp.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block1/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block1/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block2/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block2/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block3/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block3/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block4/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block4/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block5/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block5/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_emp_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_emp_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/cri3.scf.out\nq-e-qe-7.5/KCW/examples/example06/run_example\nq-e-qe-7.5/KCW/examples/run_all.sh\nq-e-qe-7.5/KCW/examples/test_io/\nq-e-qe-7.5/KCW/examples/test_io/README\nq-e-qe-7.5/KCW/examples/test_io/example01/\nq-e-qe-7.5/KCW/examples/test_io/example01/compare.sh\nq-e-qe-7.5/KCW/examples/test_io/example01/run_example\nq-e-qe-7.5/KCW/examples/test_io/example02/\nq-e-qe-7.5/KCW/examples/test_io/example02/compare.sh\nq-e-qe-7.5/KCW/examples/test_io/example02/run_example\nq-e-qe-7.5/KCW/examples/test_io/example03/\nq-e-qe-7.5/KCW/examples/test_io/example03/compare.sh\nq-e-qe-7.5/KCW/examples/test_io/example03/run_example\nq-e-qe-7.5/KCW/examples/test_io/run_all.sh\nq-e-qe-7.5/KCW/kcw.md\nq-e-qe-7.5/KCW/src/\nq-e-qe-7.5/KCW/src/CMakeLists.txt\nq-e-qe-7.5/KCW/src/Makefile\nq-e-qe-7.5/KCW/src/alpha_corr.f90\nq-e-qe-7.5/KCW/src/apply_u_matrix.f90\nq-e-qe-7.5/KCW/src/bare_pot.f90\nq-e-qe-7.5/KCW/src/bcast_kcw_input.f90\nq-e-qe-7.5/KCW/src/bcast_wfc.f90\nq-e-qe-7.5/KCW/src/calculate_phase.f90\nq-e-qe-7.5/KCW/src/clean_pw_kcw.f90\nq-e-qe-7.5/KCW/src/close_kcw.f90\nq-e-qe-7.5/KCW/src/compute_map_ikq.f90\nq-e-qe-7.5/KCW/src/compute_map_ikq_single.f90\nq-e-qe-7.5/KCW/src/convert_kpts_names.f90\nq-e-qe-7.5/KCW/src/coulomb.f90\nq-e-qe-7.5/KCW/src/find_IBZ_q.f90\nq-e-qe-7.5/KCW/src/full_ham.f90\nq-e-qe-7.5/KCW/src/group_orbitals.f90\nq-e-qe-7.5/KCW/src/ham_R0_2nd.f90\nq-e-qe-7.5/KCW/src/hamilt.f90\nq-e-qe-7.5/KCW/src/input_summary.f90\nq-e-qe-7.5/KCW/src/interpolation.f90\nq-e-qe-7.5/KCW/src/kcw.f90\nq-e-qe-7.5/KCW/src/kcw_R_points.f90\nq-e-qe-7.5/KCW/src/kcw_allocate_q.f90\nq-e-qe-7.5/KCW/src/kcw_comm.f90\nq-e-qe-7.5/KCW/src/kcw_deallocate_q.f90\nq-e-qe-7.5/KCW/src/kcw_deallocate_symmetry_arrays.f90\nq-e-qe-7.5/KCW/src/kcw_ham.f90\nq-e-qe-7.5/KCW/src/kcw_init_q.f90\nq-e-qe-7.5/KCW/src/kcw_initialize_ph.f90\nq-e-qe-7.5/KCW/src/kcw_io_new.f90\nq-e-qe-7.5/KCW/src/kcw_kpoint_grid.f90\nq-e-qe-7.5/KCW/src/kcw_openfilq.f90\nq-e-qe-7.5/KCW/src/kcw_prepare_q.f90\nq-e-qe-7.5/KCW/src/kcw_q_setup.f90\nq-e-qe-7.5/KCW/src/kcw_read_sym.f90\nq-e-qe-7.5/KCW/src/kcw_readin.f90\nq-e-qe-7.5/KCW/src/kcw_run_nscf.f90\nq-e-qe-7.5/KCW/src/kcw_screen.f90\nq-e-qe-7.5/KCW/src/kcw_setup.f90\nq-e-qe-7.5/KCW/src/kcw_setup_ham.f90\nq-e-qe-7.5/KCW/src/kcw_setup_screen.f90\nq-e-qe-7.5/KCW/src/kcw_write_sym.f90\nq-e-qe-7.5/KCW/src/koopmans_ham.f90\nq-e-qe-7.5/KCW/src/ks_hamiltonian.f90\nq-e-qe-7.5/KCW/src/makedeps.sh\nq-e-qe-7.5/KCW/src/print_clock_kcw.f90\nq-e-qe-7.5/KCW/src/read_alpha.f90\nq-e-qe-7.5/KCW/src/read_qlist_ibz.f90\nq-e-qe-7.5/KCW/src/read_wannier.f90\nq-e-qe-7.5/KCW/src/rho_of_q.f90\nq-e-qe-7.5/KCW/src/rotate_ks.f90\nq-e-qe-7.5/KCW/src/screen_coeff.f90\nq-e-qe-7.5/KCW/src/self_hartree.f90\nq-e-qe-7.5/KCW/src/setup_coulomb.f90\nq-e-qe-7.5/KCW/src/setup_coulomb_exx.f90\nq-e-qe-7.5/KCW/src/solve_linter_koop_mod.f90\nq-e-qe-7.5/KCW/src/structure_factor.f90\nq-e-qe-7.5/KCW/src/wann2kcw.f90\nq-e-qe-7.5/KCW/src/write_hr_to_file.f90\nq-e-qe-7.5/KCW/src/write_qlist_ibz.f90\nq-e-qe-7.5/KS_Solvers/\nq-e-qe-7.5/KS_Solvers/CG/\nq-e-qe-7.5/KS_Solvers/CG/Makefile\nq-e-qe-7.5/KS_Solvers/CG/ccgdiagg.f90\nq-e-qe-7.5/KS_Solvers/CG/rcgdiagg.f90\nq-e-qe-7.5/KS_Solvers/CMakeLists.txt\nq-e-qe-7.5/KS_Solvers/DENSE/\nq-e-qe-7.5/KS_Solvers/DENSE/Makefile\nq-e-qe-7.5/KS_Solvers/DENSE/gram_schmidt_gamma.f90\nq-e-qe-7.5/KS_Solvers/DENSE/gram_schmidt_k.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_HSpsi_gamma.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_HSpsi_k.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_driver.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_wfc_gamma.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_wfc_k.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_xpsi_gamma.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_xpsi_k.f90\nq-e-qe-7.5/KS_Solvers/Davidson/\nq-e-qe-7.5/KS_Solvers/Davidson/Makefile\nq-e-qe-7.5/KS_Solvers/Davidson/cegterg.f90\nq-e-qe-7.5/KS_Solvers/Davidson/cegterg_gpu.f90\nq-e-qe-7.5/KS_Solvers/Davidson/regterg.f90\nq-e-qe-7.5/KS_Solvers/Davidson/regterg_gpu.f90\nq-e-qe-7.5/KS_Solvers/Davidson_RCI/\nq-e-qe-7.5/KS_Solvers/Davidson_RCI/Makefile\nq-e-qe-7.5/KS_Solvers/Davidson_RCI/david_rci.f90\nq-e-qe-7.5/KS_Solvers/Makefile\nq-e-qe-7.5/KS_Solvers/PPCG_legacy/\nq-e-qe-7.5/KS_Solvers/PPCG_legacy/ppcg_gamma.f90\nq-e-qe-7.5/KS_Solvers/PPCG_legacy/ppcg_gamma_gpu.f90\nq-e-qe-7.5/KS_Solvers/PPCG_legacy/ppcg_k.f90\nq-e-qe-7.5/KS_Solvers/PPCG_legacy/ppcg_k_gpu.f90\nq-e-qe-7.5/KS_Solvers/ParO/\nq-e-qe-7.5/KS_Solvers/ParO/Makefile\nq-e-qe-7.5/KS_Solvers/ParO/bpcg_gamma.f90\nq-e-qe-7.5/KS_Solvers/ParO/bpcg_k.f90\nq-e-qe-7.5/KS_Solvers/ParO/paro_gamma.f90\nq-e-qe-7.5/KS_Solvers/ParO/paro_gamma_new.f90\nq-e-qe-7.5/KS_Solvers/ParO/paro_k.f90\nq-e-qe-7.5/KS_Solvers/ParO/paro_k_new.f90\nq-e-qe-7.5/KS_Solvers/ParO/pcg_gamma.f90\nq-e-qe-7.5/KS_Solvers/ParO/pcg_k.f90\nq-e-qe-7.5/KS_Solvers/RMM/\nq-e-qe-7.5/KS_Solvers/RMM/Makefile\nq-e-qe-7.5/KS_Solvers/RMM/crmmdiagg.f90\nq-e-qe-7.5/KS_Solvers/RMM/rrmmdiagg.f90\nq-e-qe-7.5/KS_Solvers/ks_solver_interfaces.h\nq-e-qe-7.5/LAXlib/\nq-e-qe-7.5/LAXlib/CMakeLists.txt\nq-e-qe-7.5/LAXlib/Makefile\nq-e-qe-7.5/LAXlib/README.TEST\nq-e-qe-7.5/LAXlib/cdiaghg.f90\nq-e-qe-7.5/LAXlib/distools.f90\nq-e-qe-7.5/LAXlib/dspev_drv.f90\nq-e-qe-7.5/LAXlib/la_error.f90\nq-e-qe-7.5/LAXlib/la_helper.f90\nq-e-qe-7.5/LAXlib/la_module.f90\nq-e-qe-7.5/LAXlib/la_param.f90\nq-e-qe-7.5/LAXlib/la_types.f90\nq-e-qe-7.5/LAXlib/laxlib.h\nq-e-qe-7.5/LAXlib/laxlib_hi.h\nq-e-qe-7.5/LAXlib/laxlib_kinds.h\nq-e-qe-7.5/LAXlib/laxlib_low.h\nq-e-qe-7.5/LAXlib/laxlib_mid.h\nq-e-qe-7.5/LAXlib/laxlib_param.h\nq-e-qe-7.5/LAXlib/mp_diag.f90\nq-e-qe-7.5/LAXlib/ptoolkit.f90\nq-e-qe-7.5/LAXlib/rdiaghg.f90\nq-e-qe-7.5/LAXlib/test.f90\nq-e-qe-7.5/LAXlib/tests/\nq-e-qe-7.5/LAXlib/tests/.gitattributes\nq-e-qe-7.5/LAXlib/tests/CMakeLists.txt\nq-e-qe-7.5/LAXlib/tests/Makefile\nq-e-qe-7.5/LAXlib/tests/README.md\nq-e-qe-7.5/LAXlib/tests/ZnOG1.bin\nq-e-qe-7.5/LAXlib/tests/ZnOG2.bin\nq-e-qe-7.5/LAXlib/tests/ZnOK1.bin\nq-e-qe-7.5/LAXlib/tests/ZnOK2.bin\nq-e-qe-7.5/LAXlib/tests/mp_world.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_1.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_2.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_3.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_4.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_gpu_1.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_gpu_2.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_gpu_3.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_gpu_4.f90\nq-e-qe-7.5/LAXlib/tests/test_helpers.f90\nq-e-qe-7.5/LAXlib/tests/test_io.f90\nq-e-qe-7.5/LAXlib/tests/test_lapack_zdotc.f90\nq-e-qe-7.5/LAXlib/tests/tester.f90\nq-e-qe-7.5/LAXlib/tests/utils.f90\nq-e-qe-7.5/LAXlib/transto.f90\nq-e-qe-7.5/LAXlib/zhpev_drv.f90\nq-e-qe-7.5/LR_Modules/\nq-e-qe-7.5/LR_Modules/CMakeLists.txt\nq-e-qe-7.5/LR_Modules/Coul_cut_2D_ph.f90\nq-e-qe-7.5/LR_Modules/Makefile\nq-e-qe-7.5/LR_Modules/adddvepsi_us.f90\nq-e-qe-7.5/LR_Modules/adddvhubscf.f90\nq-e-qe-7.5/LR_Modules/adddvscf.f90\nq-e-qe-7.5/LR_Modules/addusdbec.f90\nq-e-qe-7.5/LR_Modules/addusdbec_nc.f90\nq-e-qe-7.5/LR_Modules/addusddenseq.f90\nq-e-qe-7.5/LR_Modules/addusldos.f90\nq-e-qe-7.5/LR_Modules/apply_dpot.f90\nq-e-qe-7.5/LR_Modules/apply_dpot_mod.f90\nq-e-qe-7.5/LR_Modules/apply_trev.f90\nq-e-qe-7.5/LR_Modules/c_bands_ph.f90\nq-e-qe-7.5/LR_Modules/ccg_psi.f90\nq-e-qe-7.5/LR_Modules/ccgsolve_all.f90\nq-e-qe-7.5/LR_Modules/cft_wave.f90\nq-e-qe-7.5/LR_Modules/cg_psi.f90\nq-e-qe-7.5/LR_Modules/cgsolve_all.f90\nq-e-qe-7.5/LR_Modules/ch_psi_all.f90\nq-e-qe-7.5/LR_Modules/ch_psi_all_complex.f90\nq-e-qe-7.5/LR_Modules/check_q_points_sym.f90\nq-e-qe-7.5/LR_Modules/compute_vsgga.f90\nq-e-qe-7.5/LR_Modules/dfpt_tetra_mod.f90\nq-e-qe-7.5/LR_Modules/dgradcorr.f90\nq-e-qe-7.5/LR_Modules/dnonloccorr.f90\nq-e-qe-7.5/LR_Modules/dv_of_drho.f90\nq-e-qe-7.5/LR_Modules/dv_rVV10.f90\nq-e-qe-7.5/LR_Modules/dv_vdW_DF.f90\nq-e-qe-7.5/LR_Modules/dynmat_sub.f90\nq-e-qe-7.5/LR_Modules/efermi_shift.f90\nq-e-qe-7.5/LR_Modules/h_prec.f90\nq-e-qe-7.5/LR_Modules/incdrhoscf.f90\nq-e-qe-7.5/LR_Modules/incdrhoscf_nc.f90\nq-e-qe-7.5/LR_Modules/lanczos_nonhermitian.f90\nq-e-qe-7.5/LR_Modules/lanczos_nonhermitian_c.f90\nq-e-qe-7.5/LR_Modules/lanczos_pseudohermitian.f90\nq-e-qe-7.5/LR_Modules/lanczos_pseudohermitian_c.f90\nq-e-qe-7.5/LR_Modules/localdos.f90\nq-e-qe-7.5/LR_Modules/lr_addusddens.f90\nq-e-qe-7.5/LR_Modules/lr_dot.f90\nq-e-qe-7.5/LR_Modules/lr_dot_magnons.f90\nq-e-qe-7.5/LR_Modules/lr_nc_mag.f90\nq-e-qe-7.5/LR_Modules/lr_orthoUwfc.f90\nq-e-qe-7.5/LR_Modules/lr_sm1_psi.f90\nq-e-qe-7.5/LR_Modules/lr_sym_mod.f90\nq-e-qe-7.5/LR_Modules/lr_two_chem.f90\nq-e-qe-7.5/LR_Modules/lrcom.f90\nq-e-qe-7.5/LR_Modules/mix_pot.f90\nq-e-qe-7.5/LR_Modules/mode_group.f90\nq-e-qe-7.5/LR_Modules/newdq.f90\nq-e-qe-7.5/LR_Modules/non_scf_ph.f90\nq-e-qe-7.5/LR_Modules/orthogonalize.f90\nq-e-qe-7.5/LR_Modules/psymdvscf.f90\nq-e-qe-7.5/LR_Modules/qdipol_cryst.f90\nq-e-qe-7.5/LR_Modules/response_kernels.f90\nq-e-qe-7.5/LR_Modules/set_dbecsum_nc.f90\nq-e-qe-7.5/LR_Modules/set_int3_nc.f90\nq-e-qe-7.5/LR_Modules/set_intq_nc.f90\nq-e-qe-7.5/LR_Modules/set_kplusq_nc.f90\nq-e-qe-7.5/LR_Modules/set_small_group_of_q.f90\nq-e-qe-7.5/LR_Modules/setqmod.f90\nq-e-qe-7.5/LR_Modules/setup_alpha_pv.f90\nq-e-qe-7.5/LR_Modules/setup_dgc.f90\nq-e-qe-7.5/LR_Modules/setup_dmuxc.f90\nq-e-qe-7.5/LR_Modules/setup_nbnd_occ.f90\nq-e-qe-7.5/LR_Modules/setup_nscf.f90\nq-e-qe-7.5/LR_Modules/sgam_lr.f90\nq-e-qe-7.5/LR_Modules/smallgq.f90\nq-e-qe-7.5/LR_Modules/star_q.f90\nq-e-qe-7.5/LR_Modules/sym_def.f90\nq-e-qe-7.5/LR_Modules/sym_dmag.f90\nq-e-qe-7.5/LR_Modules/symdvscf.f90\nq-e-qe-7.5/License\nq-e-qe-7.5/Makefile\nq-e-qe-7.5/Modules/\nq-e-qe-7.5/Modules/CMakeLists.txt\nq-e-qe-7.5/Modules/Makefile\nq-e-qe-7.5/Modules/additional_kpoints.f90\nq-e-qe-7.5/Modules/allocate_fft_3drism.f90\nq-e-qe-7.5/Modules/atom_weight.f90\nq-e-qe-7.5/Modules/atomic_wfc_mod.f90\nq-e-qe-7.5/Modules/autopilot.f90\nq-e-qe-7.5/Modules/basic_algebra_routines.f90\nq-e-qe-7.5/Modules/becmod.f90\nq-e-qe-7.5/Modules/bfgs_module.f90\nq-e-qe-7.5/Modules/bspline.f90\nq-e-qe-7.5/Modules/bz_form.f90\nq-e-qe-7.5/Modules/capital.f90\nq-e-qe-7.5/Modules/cell_base.f90\nq-e-qe-7.5/Modules/cell_nose.f90\nq-e-qe-7.5/Modules/check_stop.f90\nq-e-qe-7.5/Modules/chempot.f90\nq-e-qe-7.5/Modules/chempot_lauerism.f90\nq-e-qe-7.5/Modules/closure.f90\nq-e-qe-7.5/Modules/command_line_options.f90\nq-e-qe-7.5/Modules/compute_dipole.f90\nq-e-qe-7.5/Modules/constants.f90\nq-e-qe-7.5/Modules/constraints_module.f90\nq-e-qe-7.5/Modules/control_flags.f90\nq-e-qe-7.5/Modules/copy_order_um_from_xml.f90\nq-e-qe-7.5/Modules/corrdipole_laue.f90\nq-e-qe-7.5/Modules/correctat0_vv.f90\nq-e-qe-7.5/Modules/corrgxy0_laue.f90\nq-e-qe-7.5/Modules/coulomb_vcut.f90\nq-e-qe-7.5/Modules/cryst_to_car.f90\nq-e-qe-7.5/Modules/cryst_to_car_2d.f90\nq-e-qe-7.5/Modules/customize_signals.c\nq-e-qe-7.5/Modules/data_structure_3drism.f90\nq-e-qe-7.5/Modules/date_and_tim.f90\nq-e-qe-7.5/Modules/deviatoric.f90\nq-e-qe-7.5/Modules/dist.f90\nq-e-qe-7.5/Modules/do_1drism.f90\nq-e-qe-7.5/Modules/do_3drism.f90\nq-e-qe-7.5/Modules/do_lauerism.f90\nq-e-qe-7.5/Modules/electrons_base.f90\nq-e-qe-7.5/Modules/environ_api_stub.f90\nq-e-qe-7.5/Modules/environ_base_module.f90\nq-e-qe-7.5/Modules/environment.f90\nq-e-qe-7.5/Modules/eqn_1drism.f90\nq-e-qe-7.5/Modules/eqn_3drism.f90\nq-e-qe-7.5/Modules/eqn_lauedipole.f90\nq-e-qe-7.5/Modules/eqn_lauegxy0.f90\nq-e-qe-7.5/Modules/eqn_lauelong.f90\nq-e-qe-7.5/Modules/eqn_lauerism.f90\nq-e-qe-7.5/Modules/eqn_laueshort.f90\nq-e-qe-7.5/Modules/eqn_lauevoid.f90\nq-e-qe-7.5/Modules/err_rism.f90\nq-e-qe-7.5/Modules/expint.f90\nq-e-qe-7.5/Modules/extffield.f90\nq-e-qe-7.5/Modules/fd_gradient.f90\nq-e-qe-7.5/Modules/fft_base.f90\nq-e-qe-7.5/Modules/fft_rho.f90\nq-e-qe-7.5/Modules/fft_wave.f90\nq-e-qe-7.5/Modules/fox_init_module.f90\nq-e-qe-7.5/Modules/fsockets.f90\nq-e-qe-7.5/Modules/funct.f90\nq-e-qe-7.5/Modules/generate_function.f90\nq-e-qe-7.5/Modules/generate_k_along_lines.f90\nq-e-qe-7.5/Modules/gradutils.f90\nq-e-qe-7.5/Modules/guess_3drism.f90\nq-e-qe-7.5/Modules/gvecw.f90\nq-e-qe-7.5/Modules/has_xml.f90\nq-e-qe-7.5/Modules/hdf5_qe.f90\nq-e-qe-7.5/Modules/init_1drism.f90\nq-e-qe-7.5/Modules/init_3drism.f90\nq-e-qe-7.5/Modules/inpfile.f90\nq-e-qe-7.5/Modules/input_1drism.f90\nq-e-qe-7.5/Modules/input_3drism.f90\nq-e-qe-7.5/Modules/input_parameters.f90\nq-e-qe-7.5/Modules/int_to_char.f90\nq-e-qe-7.5/Modules/invmat.f90\nq-e-qe-7.5/Modules/io_base.f90\nq-e-qe-7.5/Modules/io_files.f90\nq-e-qe-7.5/Modules/io_global.f90\nq-e-qe-7.5/Modules/io_rism_xml.f90\nq-e-qe-7.5/Modules/ions_base.f90\nq-e-qe-7.5/Modules/ions_nose.f90\nq-e-qe-7.5/Modules/kind.f90\nq-e-qe-7.5/Modules/latgen.f90\nq-e-qe-7.5/Modules/lauefft.f90\nq-e-qe-7.5/Modules/lauefft_subs.f90\nq-e-qe-7.5/Modules/linpack.f90\nq-e-qe-7.5/Modules/lj_forcefield.f90\nq-e-qe-7.5/Modules/lj_solute.f90\nq-e-qe-7.5/Modules/lmdif.f90\nq-e-qe-7.5/Modules/makov_payne.f90\nq-e-qe-7.5/Modules/matches.f90\nq-e-qe-7.5/Modules/mbdlib.f90\nq-e-qe-7.5/Modules/mdiis.f90\nq-e-qe-7.5/Modules/mm_dispersion.f90\nq-e-qe-7.5/Modules/molebridge_vv.f90\nq-e-qe-7.5/Modules/molecorr_vv.f90\nq-e-qe-7.5/Modules/molecule_const.f90\nq-e-qe-7.5/Modules/molecule_types.f90\nq-e-qe-7.5/Modules/more_functionals.f90\nq-e-qe-7.5/Modules/mp_bands.f90\nq-e-qe-7.5/Modules/mp_exx.f90\nq-e-qe-7.5/Modules/mp_global.f90\nq-e-qe-7.5/Modules/mp_images.f90\nq-e-qe-7.5/Modules/mp_pools.f90\nq-e-qe-7.5/Modules/mp_rism.f90\nq-e-qe-7.5/Modules/mp_swap_ax_rism.f90\nq-e-qe-7.5/Modules/mp_wave.f90\nq-e-qe-7.5/Modules/mp_world.f90\nq-e-qe-7.5/Modules/noncol.f90\nq-e-qe-7.5/Modules/normalize_lauerism.f90\nq-e-qe-7.5/Modules/open_close_input_file.f90\nq-e-qe-7.5/Modules/parameters.f90\nq-e-qe-7.5/Modules/parser.f90\nq-e-qe-7.5/Modules/plot_io.f90\nq-e-qe-7.5/Modules/plot_rism.f90\nq-e-qe-7.5/Modules/plugin_arguments.f90\nq-e-qe-7.5/Modules/plugin_flags.f90\nq-e-qe-7.5/Modules/plugin_variables.f90\nq-e-qe-7.5/Modules/potential_3drism.f90\nq-e-qe-7.5/Modules/potential_esm.f90\nq-e-qe-7.5/Modules/potential_vv.f90\nq-e-qe-7.5/Modules/print_chempot_3drism.f90\nq-e-qe-7.5/Modules/print_chempot_lauerism.f90\nq-e-qe-7.5/Modules/print_chempot_vv.f90\nq-e-qe-7.5/Modules/print_corr_vv.f90\nq-e-qe-7.5/Modules/print_solvavg.f90\nq-e-qe-7.5/Modules/printout_base.f90\nq-e-qe-7.5/Modules/pw_dot.f90\nq-e-qe-7.5/Modules/qeh5_module.f90\nq-e-qe-7.5/Modules/qes_bcast_module.f90\nq-e-qe-7.5/Modules/qes_init_module.f90\nq-e-qe-7.5/Modules/qes_libs_module.f90\nq-e-qe-7.5/Modules/qes_read_module.f90\nq-e-qe-7.5/Modules/qes_reset_module.f90\nq-e-qe-7.5/Modules/qes_types_module.f90\nq-e-qe-7.5/Modules/qes_write_module.f90\nq-e-qe-7.5/Modules/qexsd.f90\nq-e-qe-7.5/Modules/qexsd_copy.f90\nq-e-qe-7.5/Modules/qexsd_init.f90\nq-e-qe-7.5/Modules/qexsd_input.f90\nq-e-qe-7.5/Modules/qmmm.f90\nq-e-qe-7.5/Modules/qmmm_aux.c\nq-e-qe-7.5/Modules/radfft.f90\nq-e-qe-7.5/Modules/radial_gradients.f90\nq-e-qe-7.5/Modules/random_numbers.f90\nq-e-qe-7.5/Modules/random_numbers_gpu.f90\nq-e-qe-7.5/Modules/read_cards.f90\nq-e-qe-7.5/Modules/read_input.f90\nq-e-qe-7.5/Modules/read_mol.f90\nq-e-qe-7.5/Modules/read_namelists.f90\nq-e-qe-7.5/Modules/read_pseudo.f90\nq-e-qe-7.5/Modules/read_solv.f90\nq-e-qe-7.5/Modules/recips.f90\nq-e-qe-7.5/Modules/recvec.f90\nq-e-qe-7.5/Modules/recvec_3drism.f90\nq-e-qe-7.5/Modules/recvec_subs.f90\nq-e-qe-7.5/Modules/remove_tot_torque.f90\nq-e-qe-7.5/Modules/rgen.f90\nq-e-qe-7.5/Modules/rism.f90\nq-e-qe-7.5/Modules/rism1d_facade.f90\nq-e-qe-7.5/Modules/rism3d_facade.f90\nq-e-qe-7.5/Modules/rms_residual.f90\nq-e-qe-7.5/Modules/run_info.f90\nq-e-qe-7.5/Modules/scale_fft_3drism.f90\nq-e-qe-7.5/Modules/scale_fft_lauerism.f90\nq-e-qe-7.5/Modules/set_para_diag.f90\nq-e-qe-7.5/Modules/set_signal.f90\nq-e-qe-7.5/Modules/set_vdw_corr.f90\nq-e-qe-7.5/Modules/setqf.f90\nq-e-qe-7.5/Modules/sockets.c\nq-e-qe-7.5/Modules/solute.f90\nq-e-qe-7.5/Modules/solvation_3drism.f90\nq-e-qe-7.5/Modules/solvation_esm.f90\nq-e-qe-7.5/Modules/solvation_force.f90\nq-e-qe-7.5/Modules/solvation_lauerism.f90\nq-e-qe-7.5/Modules/solvation_pbc.f90\nq-e-qe-7.5/Modules/solvation_stress.f90\nq-e-qe-7.5/Modules/solvavg.f90\nq-e-qe-7.5/Modules/solvmol.f90\nq-e-qe-7.5/Modules/sort.f90\nq-e-qe-7.5/Modules/space_group.f90\nq-e-qe-7.5/Modules/summary_1drism.f90\nq-e-qe-7.5/Modules/summary_3drism.f90\nq-e-qe-7.5/Modules/suscept_g0.f90\nq-e-qe-7.5/Modules/suscept_laue.f90\nq-e-qe-7.5/Modules/suscept_laueint.f90\nq-e-qe-7.5/Modules/suscept_vv.f90\nq-e-qe-7.5/Modules/test_input_file.f90\nq-e-qe-7.5/Modules/timestep.f90\nq-e-qe-7.5/Modules/trimcheck.f90\nq-e-qe-7.5/Modules/tsvdw.f90\nq-e-qe-7.5/Modules/version.f90\nq-e-qe-7.5/Modules/volume.f90\nq-e-qe-7.5/Modules/w0gauss.f90\nq-e-qe-7.5/Modules/w1gauss.f90\nq-e-qe-7.5/Modules/wannier_gw.f90\nq-e-qe-7.5/Modules/wannier_new.f90\nq-e-qe-7.5/Modules/wave_gauge.f90\nq-e-qe-7.5/Modules/wavefunctions.f90\nq-e-qe-7.5/Modules/wgauss.f90\nq-e-qe-7.5/Modules/write_rism_type.f90\nq-e-qe-7.5/Modules/ws_base.f90\nq-e-qe-7.5/Modules/wyckoff.f90\nq-e-qe-7.5/Modules/wypos.f90\nq-e-qe-7.5/Modules/xc_rVV10.f90\nq-e-qe-7.5/Modules/xc_vdW_DF.f90\nq-e-qe-7.5/Modules/xml_io_rism.f90\nq-e-qe-7.5/Modules/xsf.f90\nq-e-qe-7.5/Modules/zvscal.f90\nq-e-qe-7.5/NEB/\nq-e-qe-7.5/NEB/CMakeLists.txt\nq-e-qe-7.5/NEB/Doc/\nq-e-qe-7.5/NEB/Doc/INPUT_NEB.def\nq-e-qe-7.5/NEB/Doc/INPUT_NEB.html\nq-e-qe-7.5/NEB/Doc/INPUT_NEB.txt\nq-e-qe-7.5/NEB/Doc/Makefile\nq-e-qe-7.5/NEB/Doc/user_guide.pdf\nq-e-qe-7.5/NEB/Doc/user_guide.tex\nq-e-qe-7.5/NEB/Makefile\nq-e-qe-7.5/NEB/examples/\nq-e-qe-7.5/NEB/examples/ESM_example/\nq-e-qe-7.5/NEB/examples/ESM_example/README\nq-e-qe-7.5/NEB/examples/ESM_example/reference/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.axsf\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.crd\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.dat\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.int\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.path\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.xyz\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/Al001+H_FCP_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/Al001+H_FCP_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/Al001+H_FCP_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/Al001+H_FCP_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/Al001+H_FCP_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/Al001+H_FCP_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/Al001+H_FCP_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/Al001+H_FCP_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/Al001+H_FCP_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/Al001+H_FCP_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.axsf\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.crd\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.dat\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.int\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.path\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.xyz\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.axsf\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.crd\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.dat\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.int\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.path\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.xyz\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_1/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_1/Al001+H_bc3.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_1/Al001+H_bc3.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_2/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_2/Al001+H_bc3.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_2/Al001+H_bc3.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_3/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_3/Al001+H_bc3.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_3/Al001+H_bc3.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_4/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_4/Al001+H_bc3.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_4/Al001+H_bc3.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_5/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_5/Al001+H_bc3.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_5/Al001+H_bc3.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.axsf\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.crd\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.dat\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.int\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.path\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.xyz\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/Al001+H_bc3_n215.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/Al001+H_bc3_n215.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/Al001+H_bc3_n215.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/Al001+H_bc3_n215.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/Al001+H_bc3_n215.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/Al001+H_bc3_n215.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/Al001+H_bc3_n215.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/Al001+H_bc3_n215.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/Al001+H_bc3_n215.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/Al001+H_bc3_n215.xml\nq-e-qe-7.5/NEB/examples/ESM_example/run_example\nq-e-qe-7.5/NEB/examples/ESM_example/run_example_ESM\nq-e-qe-7.5/NEB/examples/ESM_example/run_example_FCP\nq-e-qe-7.5/NEB/examples/ESM_example/run_example_GCSCF\nq-e-qe-7.5/NEB/examples/check-neb.x.j\nq-e-qe-7.5/NEB/examples/clean_all\nq-e-qe-7.5/NEB/examples/example01/\nq-e-qe-7.5/NEB/examples/example01/README\nq-e-qe-7.5/NEB/examples/example01/reference/\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.axsf\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.dat\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.int\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.out\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.path\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.xyz\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.axsf\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.dat\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.int\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.out\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.path\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.xyz\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.axsf\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.dat\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.int\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.out\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.path\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.xyz\nq-e-qe-7.5/NEB/examples/example01/run_example\nq-e-qe-7.5/NEB/examples/neb0.in\nq-e-qe-7.5/NEB/examples/neb0.ref\nq-e-qe-7.5/NEB/examples/neb1.in\nq-e-qe-7.5/NEB/examples/neb1.ref\nq-e-qe-7.5/NEB/examples/neb2.in\nq-e-qe-7.5/NEB/examples/neb2.ref\nq-e-qe-7.5/NEB/src/\nq-e-qe-7.5/NEB/src/Makefile\nq-e-qe-7.5/NEB/src/bcast_file.f90\nq-e-qe-7.5/NEB/src/compute_scf.f90\nq-e-qe-7.5/NEB/src/engine_to_path_alat.f90\nq-e-qe-7.5/NEB/src/engine_to_path_fix_atom_pos.f90\nq-e-qe-7.5/NEB/src/engine_to_path_nat.f90\nq-e-qe-7.5/NEB/src/engine_to_path_pos.f90\nq-e-qe-7.5/NEB/src/engine_to_path_tot_charge.f90\nq-e-qe-7.5/NEB/src/fcp_opt_routines.f90\nq-e-qe-7.5/NEB/src/fcp_variables.f90\nq-e-qe-7.5/NEB/src/gcscf_variables.f90\nq-e-qe-7.5/NEB/src/neb.f90\nq-e-qe-7.5/NEB/src/neb_input.f90\nq-e-qe-7.5/NEB/src/path_base.f90\nq-e-qe-7.5/NEB/src/path_formats.f90\nq-e-qe-7.5/NEB/src/path_gen_inputs.f90\nq-e-qe-7.5/NEB/src/path_input_parameters_module.f90\nq-e-qe-7.5/NEB/src/path_interpolation.f90\nq-e-qe-7.5/NEB/src/path_io_routines.f90\nq-e-qe-7.5/NEB/src/path_io_tools.f90\nq-e-qe-7.5/NEB/src/path_io_units_module.f90\nq-e-qe-7.5/NEB/src/path_opt_routines.f90\nq-e-qe-7.5/NEB/src/path_read_cards_module.f90\nq-e-qe-7.5/NEB/src/path_read_namelists_module.f90\nq-e-qe-7.5/NEB/src/path_reparametrisation.f90\nq-e-qe-7.5/NEB/src/path_to_engine_fix_atom_pos.f90\nq-e-qe-7.5/NEB/src/path_variables.f90\nq-e-qe-7.5/NEB/src/set_defaults.f90\nq-e-qe-7.5/NEB/src/stop_run_path.f90\nq-e-qe-7.5/NEB/tools/\nq-e-qe-7.5/NEB/tools/path_interpolation.sh\nq-e-qe-7.5/NEB/tools/path_merge.sh\nq-e-qe-7.5/PHonon/\nq-e-qe-7.5/PHonon/CMakeLists.txt\nq-e-qe-7.5/PHonon/Doc/\nq-e-qe-7.5/PHonon/Doc/INPUT_DYNMAT.def\nq-e-qe-7.5/PHonon/Doc/INPUT_DYNMAT.html\nq-e-qe-7.5/PHonon/Doc/INPUT_DYNMAT.txt\nq-e-qe-7.5/PHonon/Doc/INPUT_DYNMAT.xml\nq-e-qe-7.5/PHonon/Doc/INPUT_Gamma\nq-e-qe-7.5/PHonon/Doc/INPUT_MATDYN.def\nq-e-qe-7.5/PHonon/Doc/INPUT_MATDYN.html\nq-e-qe-7.5/PHonon/Doc/INPUT_MATDYN.txt\nq-e-qe-7.5/PHonon/Doc/INPUT_MATDYN.xml\nq-e-qe-7.5/PHonon/Doc/INPUT_PH.def\nq-e-qe-7.5/PHonon/Doc/INPUT_PH.html\nq-e-qe-7.5/PHonon/Doc/INPUT_PH.txt\nq-e-qe-7.5/PHonon/Doc/INPUT_PH.xml\nq-e-qe-7.5/PHonon/Doc/INPUT_POSTAHC.def\nq-e-qe-7.5/PHonon/Doc/INPUT_POSTAHC.html\nq-e-qe-7.5/PHonon/Doc/INPUT_POSTAHC.txt\nq-e-qe-7.5/PHonon/Doc/INPUT_POSTAHC.xml\nq-e-qe-7.5/PHonon/Doc/INPUT_Q2R.def\nq-e-qe-7.5/PHonon/Doc/INPUT_Q2R.html\nq-e-qe-7.5/PHonon/Doc/INPUT_Q2R.txt\nq-e-qe-7.5/PHonon/Doc/INPUT_Q2R.xml\nq-e-qe-7.5/PHonon/Doc/Makefile\nq-e-qe-7.5/PHonon/Doc/developer_man.pdf\nq-e-qe-7.5/PHonon/Doc/dfpt_self_energy.pdf\nq-e-qe-7.5/PHonon/Doc/dfpt_self_energy.tex\nq-e-qe-7.5/PHonon/Doc/dfpt_tetra.pdf\nq-e-qe-7.5/PHonon/Doc/dfpt_tetra.tex\nq-e-qe-7.5/PHonon/Doc/input_xx.xsl\nq-e-qe-7.5/PHonon/Doc/pic/\nq-e-qe-7.5/PHonon/Doc/pic/elph_tetra.pdf\nq-e-qe-7.5/PHonon/Doc/user_guide.pdf\nq-e-qe-7.5/PHonon/Doc/user_guide.tex\nq-e-qe-7.5/PHonon/FD/\nq-e-qe-7.5/PHonon/FD/Makefile\nq-e-qe-7.5/PHonon/FD/example/\nq-e-qe-7.5/PHonon/FD/example/README\nq-e-qe-7.5/PHonon/FD/example/Si_example/\nq-e-qe-7.5/PHonon/FD/example/Si_example/fd.in\nq-e-qe-7.5/PHonon/FD/example/Si_example/fd_ifc.in\nq-e-qe-7.5/PHonon/FD/example/Si_example/run_fd\nq-e-qe-7.5/PHonon/FD/example/Si_example/si.scf.in\nq-e-qe-7.5/PHonon/FD/fd.f90\nq-e-qe-7.5/PHonon/FD/fd_ef.f90\nq-e-qe-7.5/PHonon/FD/fd_ifc.f90\nq-e-qe-7.5/PHonon/FD/run_fd\nq-e-qe-7.5/PHonon/FD/stop_pp.f90\nq-e-qe-7.5/PHonon/Ford.md\nq-e-qe-7.5/PHonon/Ford/\nq-e-qe-7.5/PHonon/Ford/index.md\nq-e-qe-7.5/PHonon/Gamma/\nq-e-qe-7.5/PHonon/Gamma/Makefile\nq-e-qe-7.5/PHonon/Gamma/a_h.f90\nq-e-qe-7.5/PHonon/Gamma/cg_readin.f90\nq-e-qe-7.5/PHonon/Gamma/cg_setup.f90\nq-e-qe-7.5/PHonon/Gamma/cgcom.f90\nq-e-qe-7.5/PHonon/Gamma/cgsolve.f90\nq-e-qe-7.5/PHonon/Gamma/d2ion.f90\nq-e-qe-7.5/PHonon/Gamma/dgradcorr.f90\nq-e-qe-7.5/PHonon/Gamma/dielec.f90\nq-e-qe-7.5/PHonon/Gamma/drhodv.f90\nq-e-qe-7.5/PHonon/Gamma/dvb_cc.f90\nq-e-qe-7.5/PHonon/Gamma/dvpsi_e.f90\nq-e-qe-7.5/PHonon/Gamma/dvpsi_kb.f90\nq-e-qe-7.5/PHonon/Gamma/dyndiar.f90\nq-e-qe-7.5/PHonon/Gamma/dynmat_init.f90\nq-e-qe-7.5/PHonon/Gamma/dynmatcc.f90\nq-e-qe-7.5/PHonon/Gamma/find_equiv_sites.f90\nq-e-qe-7.5/PHonon/Gamma/generate_dynamical_matrix.f90\nq-e-qe-7.5/PHonon/Gamma/generate_effective_charges.f90\nq-e-qe-7.5/PHonon/Gamma/h_h.f90\nq-e-qe-7.5/PHonon/Gamma/macro.f90\nq-e-qe-7.5/PHonon/Gamma/phcg.f90\nq-e-qe-7.5/PHonon/Gamma/rhod2vkb.f90\nq-e-qe-7.5/PHonon/Gamma/solve_e.f90\nq-e-qe-7.5/PHonon/Gamma/solve_ph.f90\nq-e-qe-7.5/PHonon/Gamma/writedyn.f90\nq-e-qe-7.5/PHonon/Makefile\nq-e-qe-7.5/PHonon/PH/\nq-e-qe-7.5/PHonon/PH/Makefile\nq-e-qe-7.5/PHonon/PH/acfdtest.f90\nq-e-qe-7.5/PHonon/PH/add_dkmds.f90\nq-e-qe-7.5/PHonon/PH/add_for_charges.f90\nq-e-qe-7.5/PHonon/PH/add_zstar_ue.f90\nq-e-qe-7.5/PHonon/PH/add_zstar_ue_us.f90\nq-e-qe-7.5/PHonon/PH/addcore.f90\nq-e-qe-7.5/PHonon/PH/addnlcc_zstar_eu_us.f90\nq-e-qe-7.5/PHonon/PH/addusddens.f90\nq-e-qe-7.5/PHonon/PH/addusddens_cond.f90\nq-e-qe-7.5/PHonon/PH/addusddense.f90\nq-e-qe-7.5/PHonon/PH/addusdynmat.f90\nq-e-qe-7.5/PHonon/PH/ahc.f90\nq-e-qe-7.5/PHonon/PH/allocate_part.f90\nq-e-qe-7.5/PHonon/PH/allocate_pert.f90\nq-e-qe-7.5/PHonon/PH/allocate_phq.f90\nq-e-qe-7.5/PHonon/PH/alpha2f.f90\nq-e-qe-7.5/PHonon/PH/bcast_ph_input.f90\nq-e-qe-7.5/PHonon/PH/cch_psi_all.f90\nq-e-qe-7.5/PHonon/PH/check_if_partial_dyn.f90\nq-e-qe-7.5/PHonon/PH/check_initial_status.f90\nq-e-qe-7.5/PHonon/PH/check_restart_recover.f90\nq-e-qe-7.5/PHonon/PH/chi_test.f90\nq-e-qe-7.5/PHonon/PH/clean_pw_ph.f90\nq-e-qe-7.5/PHonon/PH/clinear.f90\nq-e-qe-7.5/PHonon/PH/close_phq.f90\nq-e-qe-7.5/PHonon/PH/compute_alphasum.f90\nq-e-qe-7.5/PHonon/PH/compute_alphasum_cond.f90\nq-e-qe-7.5/PHonon/PH/compute_becalp.f90\nq-e-qe-7.5/PHonon/PH/compute_becsum_ph.f90\nq-e-qe-7.5/PHonon/PH/compute_becsum_ph_cond.f90\nq-e-qe-7.5/PHonon/PH/compute_drhous.f90\nq-e-qe-7.5/PHonon/PH/compute_drhous_nc.f90\nq-e-qe-7.5/PHonon/PH/compute_dvloc.f90\nq-e-qe-7.5/PHonon/PH/compute_nldyn.f90\nq-e-qe-7.5/PHonon/PH/compute_weight.f90\nq-e-qe-7.5/PHonon/PH/d2ionq.f90\nq-e-qe-7.5/PHonon/PH/d2ionq_disp.f90\nq-e-qe-7.5/PHonon/PH/d2mxc.f90\nq-e-qe-7.5/PHonon/PH/d2nsq_bare.f90\nq-e-qe-7.5/PHonon/PH/davcio_drho.f90\nq-e-qe-7.5/PHonon/PH/deallocate_part.f90\nq-e-qe-7.5/PHonon/PH/deallocate_phq.f90\nq-e-qe-7.5/PHonon/PH/delta_sphi.f90\nq-e-qe-7.5/PHonon/PH/dfile_autoname.f90\nq-e-qe-7.5/PHonon/PH/dfile_star.f90\nq-e-qe-7.5/PHonon/PH/dfpt_kernels.f90\nq-e-qe-7.5/PHonon/PH/dhdrhopsi.f90\nq-e-qe-7.5/PHonon/PH/dielec.f90\nq-e-qe-7.5/PHonon/PH/dielec_test.f90\nq-e-qe-7.5/PHonon/PH/dnsq_bare.f90\nq-e-qe-7.5/PHonon/PH/dnsq_orth.f90\nq-e-qe-7.5/PHonon/PH/dnsq_orth_set_irr.f90\nq-e-qe-7.5/PHonon/PH/dnsq_scf.f90\nq-e-qe-7.5/PHonon/PH/do_phonon.f90\nq-e-qe-7.5/PHonon/PH/do_q2r.f90\nq-e-qe-7.5/PHonon/PH/dpsi_orth.f90\nq-e-qe-7.5/PHonon/PH/drho.f90\nq-e-qe-7.5/PHonon/PH/drhodv.f90\nq-e-qe-7.5/PHonon/PH/drhodvloc.f90\nq-e-qe-7.5/PHonon/PH/drhodvnl.f90\nq-e-qe-7.5/PHonon/PH/drhodvus.f90\nq-e-qe-7.5/PHonon/PH/dump_drho.f90\nq-e-qe-7.5/PHonon/PH/dvanqq.f90\nq-e-qe-7.5/PHonon/PH/dvkb3.f90\nq-e-qe-7.5/PHonon/PH/dvpsi_e.f90\nq-e-qe-7.5/PHonon/PH/dvpsi_e2.f90\nq-e-qe-7.5/PHonon/PH/dvqhub_barepsi_us.f90\nq-e-qe-7.5/PHonon/PH/dvqhub_barepsi_us2.f90\nq-e-qe-7.5/PHonon/PH/dvqpsi_us.f90\nq-e-qe-7.5/PHonon/PH/dvqpsi_us_only.f90\nq-e-qe-7.5/PHonon/PH/dvscf_interpolate.f90\nq-e-qe-7.5/PHonon/PH/dvscf_q2r.f90\nq-e-qe-7.5/PHonon/PH/dwfc.f90\nq-e-qe-7.5/PHonon/PH/dyndia.f90\nq-e-qe-7.5/PHonon/PH/dynmat.f90\nq-e-qe-7.5/PHonon/PH/dynmat0.f90\nq-e-qe-7.5/PHonon/PH/dynmat_hub_bare.f90\nq-e-qe-7.5/PHonon/PH/dynmat_hub_scf.f90\nq-e-qe-7.5/PHonon/PH/dynmat_nlcc.f90\nq-e-qe-7.5/PHonon/PH/dynmat_us.f90\nq-e-qe-7.5/PHonon/PH/dynmatcc.f90\nq-e-qe-7.5/PHonon/PH/dynmatrix.f90\nq-e-qe-7.5/PHonon/PH/el_opt.f90\nq-e-qe-7.5/PHonon/PH/el_ph_collect.f90\nq-e-qe-7.5/PHonon/PH/elph.f90\nq-e-qe-7.5/PHonon/PH/elph_scdft_mod.f90\nq-e-qe-7.5/PHonon/PH/elph_tetra_mod.f90\nq-e-qe-7.5/PHonon/PH/elphon.f90\nq-e-qe-7.5/PHonon/PH/ep_matrix_element_wannier.f90\nq-e-qe-7.5/PHonon/PH/epa.f90\nq-e-qe-7.5/PHonon/PH/find_equiv_sites.f90\nq-e-qe-7.5/PHonon/PH/find_irrep.f90\nq-e-qe-7.5/PHonon/PH/find_mode_sym.f90\nq-e-qe-7.5/PHonon/PH/fqha.f90\nq-e-qe-7.5/PHonon/PH/generate_dynamical_matrix_c.f90\nq-e-qe-7.5/PHonon/PH/generate_effective_charges_c.f90\nq-e-qe-7.5/PHonon/PH/gmressolve_all.f90\nq-e-qe-7.5/PHonon/PH/hdiag.f90\nq-e-qe-7.5/PHonon/PH/incdrhous.f90\nq-e-qe-7.5/PHonon/PH/incdrhous_nc.f90\nq-e-qe-7.5/PHonon/PH/init_representations.f90\nq-e-qe-7.5/PHonon/PH/initialize_ph.f90\nq-e-qe-7.5/PHonon/PH/io_dyn_mat.f90\nq-e-qe-7.5/PHonon/PH/io_dyn_mat_old.f90\nq-e-qe-7.5/PHonon/PH/io_pattern.f90\nq-e-qe-7.5/PHonon/PH/lambda.f90\nq-e-qe-7.5/PHonon/PH/matdyn.f90\nq-e-qe-7.5/PHonon/PH/obsolete.f90\nq-e-qe-7.5/PHonon/PH/openfilq.f90\nq-e-qe-7.5/PHonon/PH/pcgreen.f90\nq-e-qe-7.5/PHonon/PH/ph_restart.f90\nq-e-qe-7.5/PHonon/PH/ph_set_upert.f90\nq-e-qe-7.5/PHonon/PH/phcom.f90\nq-e-qe-7.5/PHonon/PH/phescf.f90\nq-e-qe-7.5/PHonon/PH/phonon.f90\nq-e-qe-7.5/PHonon/PH/phq_init.f90\nq-e-qe-7.5/PHonon/PH/phq_readin.f90\nq-e-qe-7.5/PHonon/PH/phq_recover.f90\nq-e-qe-7.5/PHonon/PH/phq_setup.f90\nq-e-qe-7.5/PHonon/PH/phq_summary.f90\nq-e-qe-7.5/PHonon/PH/phqscf.f90\nq-e-qe-7.5/PHonon/PH/polariz.f90\nq-e-qe-7.5/PHonon/PH/postahc.f90\nq-e-qe-7.5/PHonon/PH/prepare_q.f90\nq-e-qe-7.5/PHonon/PH/prepare_sym_analysis.f90\nq-e-qe-7.5/PHonon/PH/print_clock_ph.f90\nq-e-qe-7.5/PHonon/PH/psidspsi.f90\nq-e-qe-7.5/PHonon/PH/psyme2.f90\nq-e-qe-7.5/PHonon/PH/punch_plot_e.f90\nq-e-qe-7.5/PHonon/PH/q2qstar.f90\nq-e-qe-7.5/PHonon/PH/q2qstar_ph.f90\nq-e-qe-7.5/PHonon/PH/q2r.f90\nq-e-qe-7.5/PHonon/PH/q_points.f90\nq-e-qe-7.5/PHonon/PH/q_points_wannier.f90\nq-e-qe-7.5/PHonon/PH/raman.f90\nq-e-qe-7.5/PHonon/PH/raman_mat.f90\nq-e-qe-7.5/PHonon/PH/ramanm.f90\nq-e-qe-7.5/PHonon/PH/random_matrix.f90\nq-e-qe-7.5/PHonon/PH/read_wfc_rspace_and_fwfft.f90\nq-e-qe-7.5/PHonon/PH/rigid.f90\nq-e-qe-7.5/PHonon/PH/rotate_and_add_dyn.f90\nq-e-qe-7.5/PHonon/PH/rotate_dvscf_star.f90\nq-e-qe-7.5/PHonon/PH/rotate_pattern_add.f90\nq-e-qe-7.5/PHonon/PH/run_nscf.f90\nq-e-qe-7.5/PHonon/PH/save_ph_input.f90\nq-e-qe-7.5/PHonon/PH/set_asr_c.f90\nq-e-qe-7.5/PHonon/PH/set_drhoc.f90\nq-e-qe-7.5/PHonon/PH/set_dvscf.f90\nq-e-qe-7.5/PHonon/PH/set_int12_nc.f90\nq-e-qe-7.5/PHonon/PH/set_irr.f90\nq-e-qe-7.5/PHonon/PH/set_irr_nosym.f90\nq-e-qe-7.5/PHonon/PH/set_irr_sym.f90\nq-e-qe-7.5/PHonon/PH/setlocq.f90\nq-e-qe-7.5/PHonon/PH/solve_e.f90\nq-e-qe-7.5/PHonon/PH/solve_e2.f90\nq-e-qe-7.5/PHonon/PH/solve_e_fpol.f90\nq-e-qe-7.5/PHonon/PH/solve_e_nscf.f90\nq-e-qe-7.5/PHonon/PH/solve_linter.f90\nq-e-qe-7.5/PHonon/PH/stop_ph.f90\nq-e-qe-7.5/PHonon/PH/summarize.f90\nq-e-qe-7.5/PHonon/PH/swfc.f90\nq-e-qe-7.5/PHonon/PH/sym_and_write_zue.f90\nq-e-qe-7.5/PHonon/PH/sym_dns.f90\nq-e-qe-7.5/PHonon/PH/sym_dns_wrapper.f90\nq-e-qe-7.5/PHonon/PH/symdyn_munu.f90\nq-e-qe-7.5/PHonon/PH/symdynph_gq.f90\nq-e-qe-7.5/PHonon/PH/syme2.f90\nq-e-qe-7.5/PHonon/PH/symm.f90\nq-e-qe-7.5/PHonon/PH/symmorphic_or_nzb.f90\nq-e-qe-7.5/PHonon/PH/tra_write_matrix.f90\nq-e-qe-7.5/PHonon/PH/transform_alphasum_nc.f90\nq-e-qe-7.5/PHonon/PH/transform_alphasum_so.f90\nq-e-qe-7.5/PHonon/PH/transform_int_nc.f90\nq-e-qe-7.5/PHonon/PH/transform_int_so.f90\nq-e-qe-7.5/PHonon/PH/trntnsc.f90\nq-e-qe-7.5/PHonon/PH/twochem_postproc_dfpt.f90\nq-e-qe-7.5/PHonon/PH/write_eigenvectors.f90\nq-e-qe-7.5/PHonon/PH/write_epsilon_and_zeu.f90\nq-e-qe-7.5/PHonon/PH/write_hub.f90\nq-e-qe-7.5/PHonon/PH/write_matrix.f90\nq-e-qe-7.5/PHonon/PH/write_modes.f90\nq-e-qe-7.5/PHonon/PH/write_qplot_data.f90\nq-e-qe-7.5/PHonon/PH/write_ramtns.f90\nq-e-qe-7.5/PHonon/PH/write_rec.f90\nq-e-qe-7.5/PHonon/PH/yambo.f90\nq-e-qe-7.5/PHonon/PH/zstar_eu.f90\nq-e-qe-7.5/PHonon/PH/zstar_eu_us.f90\nq-e-qe-7.5/PHonon/examples/\nq-e-qe-7.5/PHonon/examples/GRID_example/\nq-e-qe-7.5/PHonon/examples/GRID_example/README\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/alas.ph.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/alas.ph.out0\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/alas.phdos\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/alas.scf.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/matdyn.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/alas.phdos\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/alas.scf.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.7\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.8\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/q2r.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.7\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.8\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.444.fc.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn0\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn1.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn2.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn3.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn4.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn5.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn6.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn7.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn8.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.freq\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.freq.rap\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.ph.in0\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.ph.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.ph.out0\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.phdos\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.scf.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.1.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.1.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.1.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.2.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.2.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.3.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.3.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.4.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.4.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.5.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.5.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/matdyn.freq\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/matdyn.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/matdyn.freq.rap\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/matdyn.modes\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/matdyn.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/phdos.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/q2r.out\nq-e-qe-7.5/PHonon/examples/GRID_example/run_example\nq-e-qe-7.5/PHonon/examples/GRID_example/run_example_1\nq-e-qe-7.5/PHonon/examples/GRID_example/run_example_2\nq-e-qe-7.5/PHonon/examples/GRID_example/run_example_3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/README\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.444.fc\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dispersions.ps\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn0\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn7\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn8\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.freq\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.collect.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.prep.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.phdos\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.phdos.ps\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.scf.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/freq.plot\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/matdyn.freq\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/matdyn.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/matdyn.modes\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/matdyn.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/phdos.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dispersions.ps\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn0\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn7\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn8\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.freq\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.ph.collect.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.ph.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.ph.rec.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.phdos\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.phdos.ps\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.scf.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas444.fc\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/freq.plot\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/matdyn.freq\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/matdyn.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/matdyn.modes\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/matdyn.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/out.1_0\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/phdos.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/q2r.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/run_example\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/run_example_2\nq-e-qe-7.5/PHonon/examples/Image_example/\nq-e-qe-7.5/PHonon/examples/Image_example/README\nq-e-qe-7.5/PHonon/examples/Image_example/reference/\nq-e-qe-7.5/PHonon/examples/Image_example/reference/alas.ph.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference/alas.ph.out1\nq-e-qe-7.5/PHonon/examples/Image_example/reference/alas.phdos\nq-e-qe-7.5/PHonon/examples/Image_example/reference/alas.scf.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference/matdyn.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference/out.1_0\nq-e-qe-7.5/PHonon/examples/Image_example/reference/phdos.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn0\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn1\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn2\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn3\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn4\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn5\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn6\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn7\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn8\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn0\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn1\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn10\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn11\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn12\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn13\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn14\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn15\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn16\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn17\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.freq\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.ph.collect.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.ph.disp.collect.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.ph.disp.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.ph.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.scf.out\nq-e-qe-7.5/PHonon/examples/Image_example/run_example\nq-e-qe-7.5/PHonon/examples/Image_example/run_example_1\nq-e-qe-7.5/PHonon/examples/Partial_example/\nq-e-qe-7.5/PHonon/examples/Partial_example/README\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/ch4.phA1.out\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/ch4.phE.out1\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/ch4.phE.out2\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/ch4.phG.out\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/ch4.scf.out\nq-e-qe-7.5/PHonon/examples/Partial_example/run_example\nq-e-qe-7.5/PHonon/examples/README\nq-e-qe-7.5/PHonon/examples/Recover_example/\nq-e-qe-7.5/PHonon/examples/Recover_example/README\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Au.phX_rel.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Au.phX_rel.out2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Au.scf_rel.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Cu.phG_pbe.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Cu.phG_pbe.out2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Cu.phX_pbe_one_mode.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Cu.phX_pbe_one_mode.out2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Cu.scf_pbe.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/ni.phX.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/ni.phX.out2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/ni.scf.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/si.phG.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/si.phG.out2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/si.scf.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/Al444.fc\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/Al444.freq\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/Al444.freq.gp\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos10\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos9\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn0\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.elph.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.elph.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.scf.fit.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.scf.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/dyna2F\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.61\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.62\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.63\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.64\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.65\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.66\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.67\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.68\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.69\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.70\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/lambda\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/matdyn.in.dos\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/matdyn.modes\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/matdyn.out.dos\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/phonon.dos\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/q2r.out\nq-e-qe-7.5/PHonon/examples/Recover_example/run_example\nq-e-qe-7.5/PHonon/examples/Recover_example/run_example_1\nq-e-qe-7.5/PHonon/examples/clean_all\nq-e-qe-7.5/PHonon/examples/example01/\nq-e-qe-7.5/PHonon/examples/example01/README\nq-e-qe-7.5/PHonon/examples/example01/reference/\nq-e-qe-7.5/PHonon/examples/example01/reference/c.phG.out\nq-e-qe-7.5/PHonon/examples/example01/reference/c.scf.out\nq-e-qe-7.5/PHonon/examples/example01/reference/ni.phX.out\nq-e-qe-7.5/PHonon/examples/example01/reference/ni.scf.out\nq-e-qe-7.5/PHonon/examples/example01/reference/si.phG.out\nq-e-qe-7.5/PHonon/examples/example01/reference/si.phX.out\nq-e-qe-7.5/PHonon/examples/example01/reference/si.phXsingle.out\nq-e-qe-7.5/PHonon/examples/example01/reference/si.scf.out\nq-e-qe-7.5/PHonon/examples/example01/run_example\nq-e-qe-7.5/PHonon/examples/example014/\nq-e-qe-7.5/PHonon/examples/example014/run_example_ep_simple\nq-e-qe-7.5/PHonon/examples/example02/\nq-e-qe-7.5/PHonon/examples/example02/README\nq-e-qe-7.5/PHonon/examples/example02/reference/\nq-e-qe-7.5/PHonon/examples/example02/reference/alas.freq\nq-e-qe-7.5/PHonon/examples/example02/reference/alas.ph.out\nq-e-qe-7.5/PHonon/examples/example02/reference/alas.phdos\nq-e-qe-7.5/PHonon/examples/example02/reference/alas.scf.out\nq-e-qe-7.5/PHonon/examples/example02/reference/matdyn.modes\nq-e-qe-7.5/PHonon/examples/example02/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/example02/run_example\nq-e-qe-7.5/PHonon/examples/example03/\nq-e-qe-7.5/PHonon/examples/example03/README\nq-e-qe-7.5/PHonon/examples/example03/reference/\nq-e-qe-7.5/PHonon/examples/example03/reference/al.elph.out\nq-e-qe-7.5/PHonon/examples/example03/reference/al.scf.fit.out\nq-e-qe-7.5/PHonon/examples/example03/reference/al.scf.out\nq-e-qe-7.5/PHonon/examples/example03/reference/lambda\nq-e-qe-7.5/PHonon/examples/example03/run_example\nq-e-qe-7.5/PHonon/examples/example04/\nq-e-qe-7.5/PHonon/examples/example04/README\nq-e-qe-7.5/PHonon/examples/example04/reference/\nq-e-qe-7.5/PHonon/examples/example04/reference/ch4.dyn.out\nq-e-qe-7.5/PHonon/examples/example04/reference/ch4.nm.out\nq-e-qe-7.5/PHonon/examples/example04/reference/ch4.scf.out\nq-e-qe-7.5/PHonon/examples/example04/run_example\nq-e-qe-7.5/PHonon/examples/example05/\nq-e-qe-7.5/PHonon/examples/example05/README\nq-e-qe-7.5/PHonon/examples/example05/reference/\nq-e-qe-7.5/PHonon/examples/example05/reference/alas.dynG\nq-e-qe-7.5/PHonon/examples/example05/reference/alas.ph.out\nq-e-qe-7.5/PHonon/examples/example05/reference/alas.scf.out\nq-e-qe-7.5/PHonon/examples/example05/run_example\nq-e-qe-7.5/PHonon/examples/example06/\nq-e-qe-7.5/PHonon/examples/example06/README\nq-e-qe-7.5/PHonon/examples/example06/reference/\nq-e-qe-7.5/PHonon/examples/example06/reference/pt.ph.out\nq-e-qe-7.5/PHonon/examples/example06/reference/pt.phX.out\nq-e-qe-7.5/PHonon/examples/example06/reference/pt.scf_ph.out\nq-e-qe-7.5/PHonon/examples/example06/run_example\nq-e-qe-7.5/PHonon/examples/example07/\nq-e-qe-7.5/PHonon/examples/example07/README\nq-e-qe-7.5/PHonon/examples/example07/reference/\nq-e-qe-7.5/PHonon/examples/example07/reference/ni.phG.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni.phX.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni.phX2.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni.scf.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni_so.phG.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni_so.phX.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni_so.phX2.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni_so.scf.out\nq-e-qe-7.5/PHonon/examples/example07/reference/pt.phG.out\nq-e-qe-7.5/PHonon/examples/example07/reference/pt.phX.out\nq-e-qe-7.5/PHonon/examples/example07/reference/pt.scf.out\nq-e-qe-7.5/PHonon/examples/example07/run_example\nq-e-qe-7.5/PHonon/examples/example08/\nq-e-qe-7.5/PHonon/examples/example08/README\nq-e-qe-7.5/PHonon/examples/example08/reference/\nq-e-qe-7.5/PHonon/examples/example08/reference/Cu.phG_pbe.out\nq-e-qe-7.5/PHonon/examples/example08/reference/Cu.scf_pbe.out\nq-e-qe-7.5/PHonon/examples/example08/reference/c.phG.out\nq-e-qe-7.5/PHonon/examples/example08/reference/c.phX.out\nq-e-qe-7.5/PHonon/examples/example08/reference/c.scf.out\nq-e-qe-7.5/PHonon/examples/example08/reference/ch4.nm.out\nq-e-qe-7.5/PHonon/examples/example08/reference/ch4.scf.out\nq-e-qe-7.5/PHonon/examples/example08/run_example\nq-e-qe-7.5/PHonon/examples/example09/\nq-e-qe-7.5/PHonon/examples/example09/README\nq-e-qe-7.5/PHonon/examples/example09/reference/\nq-e-qe-7.5/PHonon/examples/example09/reference/ch4.fpol.out\nq-e-qe-7.5/PHonon/examples/example09/reference/ch4.scf.out\nq-e-qe-7.5/PHonon/examples/example09/run_example\nq-e-qe-7.5/PHonon/examples/example10/\nq-e-qe-7.5/PHonon/examples/example10/README\nq-e-qe-7.5/PHonon/examples/example10/reference/\nq-e-qe-7.5/PHonon/examples/example10/reference/c.phG.out\nq-e-qe-7.5/PHonon/examples/example10/reference/c.scf.out\nq-e-qe-7.5/PHonon/examples/example10/reference/o2.phG.out\nq-e-qe-7.5/PHonon/examples/example10/reference/o2.scf.out\nq-e-qe-7.5/PHonon/examples/example10/reference/o2_nc.phG.out\nq-e-qe-7.5/PHonon/examples/example10/reference/o2_nc.scf.out\nq-e-qe-7.5/PHonon/examples/example10/reference/si.phG.out\nq-e-qe-7.5/PHonon/examples/example10/reference/si.scf.out\nq-e-qe-7.5/PHonon/examples/example10/run_example\nq-e-qe-7.5/PHonon/examples/example11/\nq-e-qe-7.5/PHonon/examples/example11/README\nq-e-qe-7.5/PHonon/examples/example11/reference/\nq-e-qe-7.5/PHonon/examples/example11/reference/Au.phG_pz.out\nq-e-qe-7.5/PHonon/examples/example11/reference/Au.phX_pz.out\nq-e-qe-7.5/PHonon/examples/example11/reference/Au.scf_pz.out\nq-e-qe-7.5/PHonon/examples/example11/run_example\nq-e-qe-7.5/PHonon/examples/example12/\nq-e-qe-7.5/PHonon/examples/example12/README\nq-e-qe-7.5/PHonon/examples/example12/reference/\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4-gga.dyn.out\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4-gga.nm.out\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4-gga.scf.out\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4.dyn.out\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4.nm.out\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4.scf.out\nq-e-qe-7.5/PHonon/examples/example12/run_example\nq-e-qe-7.5/PHonon/examples/example13/\nq-e-qe-7.5/PHonon/examples/example13/reference/\nq-e-qe-7.5/PHonon/examples/example13/reference/ni.ph.out\nq-e-qe-7.5/PHonon/examples/example13/reference/ni.scf.out\nq-e-qe-7.5/PHonon/examples/example13/run_example\nq-e-qe-7.5/PHonon/examples/example14/\nq-e-qe-7.5/PHonon/examples/example14/README\nq-e-qe-7.5/PHonon/examples/example14/reference/\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn0\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn1\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn2\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn3\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn4\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn5\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn6\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn7\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn8\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn.freq\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn0\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn1\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn10\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn11\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn12\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn13\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn14\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn15\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn16\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn17\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn2\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn3\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn4\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn5\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn6\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn7\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn8\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn9\nq-e-qe-7.5/PHonon/examples/example14/reference/al.freq\nq-e-qe-7.5/PHonon/examples/example14/reference/al.freq.gp\nq-e-qe-7.5/PHonon/examples/example14/reference/al.ph.disp.out\nq-e-qe-7.5/PHonon/examples/example14/reference/al.ph.out\nq-e-qe-7.5/PHonon/examples/example14/reference/al.scf.out\nq-e-qe-7.5/PHonon/examples/example14/reference/freq.disp.plot\nq-e-qe-7.5/PHonon/examples/example14/reference/freq.plot\nq-e-qe-7.5/PHonon/examples/example14/reference/matdyn.modes\nq-e-qe-7.5/PHonon/examples/example14/reference/matdyn.out\nq-e-qe-7.5/PHonon/examples/example14/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/example14/run_example\nq-e-qe-7.5/PHonon/examples/example15/\nq-e-qe-7.5/PHonon/examples/example15/README\nq-e-qe-7.5/PHonon/examples/example15/reference/\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.dm.in\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.dm.out\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.ph.in\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.ph.out\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.scf.in\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.scf.out\nq-e-qe-7.5/PHonon/examples/example15/reference/dmat.co2\nq-e-qe-7.5/PHonon/examples/example15/reference/dmat.zno\nq-e-qe-7.5/PHonon/examples/example15/reference/dynmat.axsf\nq-e-qe-7.5/PHonon/examples/example15/reference/dynmat.mold\nq-e-qe-7.5/PHonon/examples/example15/reference/dynmat.out\nq-e-qe-7.5/PHonon/examples/example15/reference/plot_command_co2.cmd\nq-e-qe-7.5/PHonon/examples/example15/reference/plot_command_zno.cmd\nq-e-qe-7.5/PHonon/examples/example15/reference/plotdata_co2.dat\nq-e-qe-7.5/PHonon/examples/example15/reference/plotdata_zno.dat\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.dm.in\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.dm.out\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.ph.in\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.ph.out\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.scf.in\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.scf.out\nq-e-qe-7.5/PHonon/examples/example15/run_example\nq-e-qe-7.5/PHonon/examples/example16/\nq-e-qe-7.5/PHonon/examples/example16/README\nq-e-qe-7.5/PHonon/examples/example16/reference/\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.phG.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.phK.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.rvv10.phG.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.rvv10.phK.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.rvv10.scf.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.scf.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df.phG.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df.phK.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df.scf.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df2.phG.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df2.phK.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df2.scf.out\nq-e-qe-7.5/PHonon/examples/example16/run_example\nq-e-qe-7.5/PHonon/examples/example17/\nq-e-qe-7.5/PHonon/examples/example17/README\nq-e-qe-7.5/PHonon/examples/example17/reference/\nq-e-qe-7.5/PHonon/examples/example17/reference/al.dispersions.ps\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn0\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn1\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn10\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn2\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn3\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn4\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn5\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn6\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn7\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn8\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn9\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.freq\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.freq.gp\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.ph.disp.in\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.ph.disp.out\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.scf.in\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.scf.out\nq-e-qe-7.5/PHonon/examples/example17/reference/bn881.fc\nq-e-qe-7.5/PHonon/examples/example17/reference/freq.disp.plot\nq-e-qe-7.5/PHonon/examples/example17/reference/freq.disp.ps\nq-e-qe-7.5/PHonon/examples/example17/reference/matdyn.in\nq-e-qe-7.5/PHonon/examples/example17/reference/matdyn.modes\nq-e-qe-7.5/PHonon/examples/example17/reference/matdyn.out\nq-e-qe-7.5/PHonon/examples/example17/reference/plotband.in\nq-e-qe-7.5/PHonon/examples/example17/reference/q2r.in\nq-e-qe-7.5/PHonon/examples/example17/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/example17/run_example\nq-e-qe-7.5/PHonon/examples/example18/\nq-e-qe-7.5/PHonon/examples/example18/README\nq-e-qe-7.5/PHonon/examples/example18/reference/\nq-e-qe-7.5/PHonon/examples/example18/reference/LiCoO2.dynG\nq-e-qe-7.5/PHonon/examples/example18/reference/LiCoO2.dynq\nq-e-qe-7.5/PHonon/examples/example18/reference/LiCoO2.phG.in\nq-e-qe-7.5/PHonon/examples/example18/reference/LiCoO2.phq.in\nq-e-qe-7.5/PHonon/examples/example18/reference/LiCoO2.scf.in\nq-e-qe-7.5/PHonon/examples/example18/run_example\nq-e-qe-7.5/PHonon/examples/example19/\nq-e-qe-7.5/PHonon/examples/example19/README\nq-e-qe-7.5/PHonon/examples/example19/reference/\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ahc.coarse.in\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ahc.coarse.out\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ahc.fine.in\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ahc.fine.out\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.dyn0\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.dyn1\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.dyn2\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.dyn3\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.dyn4\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ifc\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.modes_coarse\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.modes_fine\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.nscf.in\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.nscf.out\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ph.in\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ph.out\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.scf.in\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.scf.out\nq-e-qe-7.5/PHonon/examples/example19/reference/dvscfq2r.in\nq-e-qe-7.5/PHonon/examples/example19/reference/dvscfq2r.out\nq-e-qe-7.5/PHonon/examples/example19/reference/matdyn.coarse.in\nq-e-qe-7.5/PHonon/examples/example19/reference/matdyn.coarse.out\nq-e-qe-7.5/PHonon/examples/example19/reference/matdyn.fine.in\nq-e-qe-7.5/PHonon/examples/example19/reference/matdyn.fine.out\nq-e-qe-7.5/PHonon/examples/example19/reference/postahc.coarse.in\nq-e-qe-7.5/PHonon/examples/example19/reference/postahc.coarse.out\nq-e-qe-7.5/PHonon/examples/example19/reference/postahc.fine.in\nq-e-qe-7.5/PHonon/examples/example19/reference/postahc.fine.out\nq-e-qe-7.5/PHonon/examples/example19/reference/q2r.in\nq-e-qe-7.5/PHonon/examples/example19/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/example19/reference/selfen_coarse_imag.dat\nq-e-qe-7.5/PHonon/examples/example19/reference/selfen_coarse_real.dat\nq-e-qe-7.5/PHonon/examples/example19/reference/selfen_fine_imag.dat\nq-e-qe-7.5/PHonon/examples/example19/reference/selfen_fine_real.dat\nq-e-qe-7.5/PHonon/examples/example19/run_example\nq-e-qe-7.5/PHonon/examples/run_all_examples\nq-e-qe-7.5/PHonon/examples/tetra_example/\nq-e-qe-7.5/PHonon/examples/tetra_example/README\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.a2F.out\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn0\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn1\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn1.elph.1\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn10\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn10.elph.10\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn2\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn2.elph.2\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn3\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn3.elph.3\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn4\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn4.elph.4\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn5\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn5.elph.5\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn6\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn6.elph.6\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn7\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn7.elph.7\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn8\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn8.elph.8\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn9\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn9.elph.9\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.elph.in\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.elph.out\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.ph.in\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.ph.out\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.scf.in\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.scf.out\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/aluminum.McMillan.gp\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/aluminum.a2F.dat\nq-e-qe-7.5/PHonon/examples/tetra_example/run_example\nq-e-qe-7.5/PIOUD/\nq-e-qe-7.5/PIOUD/CMakeLists.txt\nq-e-qe-7.5/PIOUD/Makefile\nq-e-qe-7.5/PIOUD/examples/\nq-e-qe-7.5/PIOUD/examples/clean_all\nq-e-qe-7.5/PIOUD/examples/test_example_diamond/\nq-e-qe-7.5/PIOUD/examples/test_example_diamond/run_example\nq-e-qe-7.5/PIOUD/examples/test_example_diamond/script_sub\nq-e-qe-7.5/PIOUD/src/\nq-e-qe-7.5/PIOUD/src/Makefile\nq-e-qe-7.5/PIOUD/src/compute_scf_pioud.f90\nq-e-qe-7.5/PIOUD/src/engine_to_trpmd_nat_alat.f90\nq-e-qe-7.5/PIOUD/src/engine_to_trpmd_pos.f90\nq-e-qe-7.5/PIOUD/src/fcp_opt_routines.f90\nq-e-qe-7.5/PIOUD/src/fcp_variables.f90\nq-e-qe-7.5/PIOUD/src/make.depend\nq-e-qe-7.5/PIOUD/src/makedeps.sh\nq-e-qe-7.5/PIOUD/src/pimd_subrout.f90\nq-e-qe-7.5/PIOUD/src/pimd_utils.f90\nq-e-qe-7.5/PIOUD/src/pimd_variables.f90\nq-e-qe-7.5/PIOUD/src/pioud.f90\nq-e-qe-7.5/PIOUD/src/pw_gen_inputs.f90\nq-e-qe-7.5/PIOUD/src/ring_formats.f90\nq-e-qe-7.5/PIOUD/src/ring_input_parameters_module.f90\nq-e-qe-7.5/PIOUD/src/ring_io_units_module.f90\nq-e-qe-7.5/PIOUD/src/ring_variables.f90\nq-e-qe-7.5/PIOUD/src/set_defaults.f90\nq-e-qe-7.5/PIOUD/src/stop_run_path.f90\nq-e-qe-7.5/PIOUD/src/trpmd_base.f90\nq-e-qe-7.5/PIOUD/src/trpmd_io_routines.f90\nq-e-qe-7.5/PP/\nq-e-qe-7.5/PP/CMakeLists.txt\nq-e-qe-7.5/PP/Doc/\nq-e-qe-7.5/PP/Doc/INPUT_BANDS.def\nq-e-qe-7.5/PP/Doc/INPUT_BANDS.txt\nq-e-qe-7.5/PP/Doc/INPUT_BANDS.xml\nq-e-qe-7.5/PP/Doc/INPUT_BAND_INTERPOLATION.def\nq-e-qe-7.5/PP/Doc/INPUT_BAND_INTERPOLATION.txt\nq-e-qe-7.5/PP/Doc/INPUT_D3HESS.def\nq-e-qe-7.5/PP/Doc/INPUT_D3HESS.txt\nq-e-qe-7.5/PP/Doc/INPUT_DOS.def\nq-e-qe-7.5/PP/Doc/INPUT_DOS.txt\nq-e-qe-7.5/PP/Doc/INPUT_DOS.xml\nq-e-qe-7.5/PP/Doc/INPUT_OSCDFT_ET.def\nq-e-qe-7.5/PP/Doc/INPUT_OSCDFT_ET.txt\nq-e-qe-7.5/PP/Doc/INPUT_OSCDFT_PP.def\nq-e-qe-7.5/PP/Doc/INPUT_OSCDFT_PP.txt\nq-e-qe-7.5/PP/Doc/INPUT_PP.def\nq-e-qe-7.5/PP/Doc/INPUT_PP.txt\nq-e-qe-7.5/PP/Doc/INPUT_PPACF.def\nq-e-qe-7.5/PP/Doc/INPUT_PPACF.txt\nq-e-qe-7.5/PP/Doc/INPUT_PPRISM.def\nq-e-qe-7.5/PP/Doc/INPUT_PPRISM.txt\nq-e-qe-7.5/PP/Doc/INPUT_PROJWFC.def\nq-e-qe-7.5/PP/Doc/INPUT_PROJWFC.txt\nq-e-qe-7.5/PP/Doc/INPUT_bgw2pw.def\nq-e-qe-7.5/PP/Doc/INPUT_bgw2pw.txt\nq-e-qe-7.5/PP/Doc/INPUT_molecularpdos.def\nq-e-qe-7.5/PP/Doc/INPUT_molecularpdos.txt\nq-e-qe-7.5/PP/Doc/INPUT_molecularpdos.xml\nq-e-qe-7.5/PP/Doc/INPUT_pw2bgw.def\nq-e-qe-7.5/PP/Doc/INPUT_pw2bgw.txt\nq-e-qe-7.5/PP/Doc/INPUT_pw2gw.def\nq-e-qe-7.5/PP/Doc/INPUT_pw2gw.txt\nq-e-qe-7.5/PP/Doc/INPUT_pw2wannier90.def\nq-e-qe-7.5/PP/Doc/INPUT_pw2wannier90.txt\nq-e-qe-7.5/PP/Doc/INPUT_wannier2pw.def\nq-e-qe-7.5/PP/Doc/Makefile\nq-e-qe-7.5/PP/Doc/eps_man.tex\nq-e-qe-7.5/PP/Doc/user_guide.tex\nq-e-qe-7.5/PP/Makefile\nq-e-qe-7.5/PP/examples/\nq-e-qe-7.5/PP/examples/ACF_example/\nq-e-qe-7.5/PP/examples/ACF_example/README\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/atoms.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/atoms.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_fock.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_fock.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_plot.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_plot.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_scale.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_scale.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/atoms.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/atoms.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/atoms_ppacf.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_fock.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_fock.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_plot.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_plot.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_scale.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_scale.out\nq-e-qe-7.5/PP/examples/ACF_example/run_example\nq-e-qe-7.5/PP/examples/BGW_example/\nq-e-qe-7.5/PP/examples/BGW_example/README\nq-e-qe-7.5/PP/examples/BGW_example/references/\nq-e-qe-7.5/PP/examples/BGW_example/references/si.pw2bgw.in\nq-e-qe-7.5/PP/examples/BGW_example/references/si.pw2bgw.out\nq-e-qe-7.5/PP/examples/BGW_example/references/si.scf.in\nq-e-qe-7.5/PP/examples/BGW_example/references/si.scf.out\nq-e-qe-7.5/PP/examples/BGW_example/references/vxc.dat\nq-e-qe-7.5/PP/examples/BGW_example/references/vxc0.dat\nq-e-qe-7.5/PP/examples/BGW_example/run_example\nq-e-qe-7.5/PP/examples/CLS_FS_example/\nq-e-qe-7.5/PP/examples/CLS_FS_example/README\nq-e-qe-7.5/PP/examples/CLS_FS_example/reference/\nq-e-qe-7.5/PP/examples/CLS_FS_example/reference/final-state.txt\nq-e-qe-7.5/PP/examples/CLS_FS_example/reference/rh011bulk.scf.out\nq-e-qe-7.5/PP/examples/CLS_FS_example/reference/rh011layer1.scf.out\nq-e-qe-7.5/PP/examples/CLS_FS_example/reference/rh011surf.scf.out\nq-e-qe-7.5/PP/examples/CLS_FS_example/run_example\nq-e-qe-7.5/PP/examples/CLS_IS_example/\nq-e-qe-7.5/PP/examples/CLS_IS_example/README\nq-e-qe-7.5/PP/examples/CLS_IS_example/reference/\nq-e-qe-7.5/PP/examples/CLS_IS_example/reference/initial-state.txt\nq-e-qe-7.5/PP/examples/CLS_IS_example/reference/rh011slab.istate.out\nq-e-qe-7.5/PP/examples/CLS_IS_example/reference/rh011slab.scf.out\nq-e-qe-7.5/PP/examples/CLS_IS_example/run_example\nq-e-qe-7.5/PP/examples/ForceTheorem_example/\nq-e-qe-7.5/PP/examples/ForceTheorem_example/README\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/eband_par.dat\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/eband_per.dat\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/par.out\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/per.out\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/proj_par.out\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/proj_per.out\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/sr.out\nq-e-qe-7.5/PP/examples/ForceTheorem_example/run_example\nq-e-qe-7.5/PP/examples/MolDos_example/\nq-e-qe-7.5/PP/examples/MolDos_example/README\nq-e-qe-7.5/PP/examples/MolDos_example/reference/\nq-e-qe-7.5/PP/examples/MolDos_example/reference/H2.bands.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/H2.k.projwfc.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/H2.projwfc.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/H2.scf.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2.bands.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2.k.projwfc.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2.projwfc.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2.scf.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2_onto_H2.k.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2_onto_H2.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/gnuplot.tmp\nq-e-qe-7.5/PP/examples/MolDos_example/reference/project_chainH2_onto_H2.ps\nq-e-qe-7.5/PP/examples/MolDos_example/run_example\nq-e-qe-7.5/PP/examples/README\nq-e-qe-7.5/PP/examples/W90_open_grid_example/\nq-e-qe-7.5/PP/examples/W90_open_grid_example/README\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.lib.win\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.openg.sa.in\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.openg.sa.out\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.lib.in\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.sa.in\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.sa.out\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.sa.eig\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.sa.nnkp\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.sa.win\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.sa.wout\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.scf.in\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.scf.out\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/k_points.txt\nq-e-qe-7.5/PP/examples/W90_open_grid_example/run_example\nq-e-qe-7.5/PP/examples/WAN90_example/\nq-e-qe-7.5/PP/examples/WAN90_example/README\nq-e-qe-7.5/PP/examples/WAN90_example/reference/\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.lib.win\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.lib.wout\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.nscf.out\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.pw2wan.lib.out\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.pw2wan.sa.out\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.sa.eig\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.sa.nnkp\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.sa.win\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.sa.wout\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.scf.out\nq-e-qe-7.5/PP/examples/WAN90_example/run_example\nq-e-qe-7.5/PP/examples/WannierHam_example/\nq-e-qe-7.5/PP/examples/WannierHam_example/README\nq-e-qe-7.5/PP/examples/WannierHam_example/reference/\nq-e-qe-7.5/PP/examples/WannierHam_example/reference/NiO.nscf.out\nq-e-qe-7.5/PP/examples/WannierHam_example/reference/NiO.scf.out\nq-e-qe-7.5/PP/examples/WannierHam_example/reference/hamilt.gz\nq-e-qe-7.5/PP/examples/WannierHam_example/reference/wannier_hamilt.out\nq-e-qe-7.5/PP/examples/WannierHam_example/run_example\nq-e-qe-7.5/PP/examples/WorkFct_example/\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.avg.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.avg.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.pp.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.pp.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.avg.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.avg.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.pot\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.pp.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.pp.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.wf.data\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.wf.eps\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Albulkrefpot\nq-e-qe-7.5/PP/examples/WorkFct_example/run_example\nq-e-qe-7.5/PP/examples/clean_all\nq-e-qe-7.5/PP/examples/dipole_example/\nq-e-qe-7.5/PP/examples/dipole_example/README\nq-e-qe-7.5/PP/examples/dipole_example/reference/\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.avg.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.eps\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.pp.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.pp.out\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.scf.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.scf.out\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.vpot-z\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.avg.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.eps\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.pp.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.pp.out\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.scf.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.scf.out\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.vpot-z\nq-e-qe-7.5/PP/examples/dipole_example/run_example\nq-e-qe-7.5/PP/examples/example01/\nq-e-qe-7.5/PP/examples/example01/README\nq-e-qe-7.5/PP/examples/example01/reference/\nq-e-qe-7.5/PP/examples/example01/reference/si.band.out\nq-e-qe-7.5/PP/examples/example01/reference/si.bands.out\nq-e-qe-7.5/PP/examples/example01/reference/si.plotband.out\nq-e-qe-7.5/PP/examples/example01/reference/si.plotrho.out\nq-e-qe-7.5/PP/examples/example01/reference/si.pp_rho.out\nq-e-qe-7.5/PP/examples/example01/reference/si.rho.dat\nq-e-qe-7.5/PP/examples/example01/reference/si.rho.ps\nq-e-qe-7.5/PP/examples/example01/reference/si.scf.out\nq-e-qe-7.5/PP/examples/example01/reference/sibands.dat\nq-e-qe-7.5/PP/examples/example01/reference/sibands.dat.rap\nq-e-qe-7.5/PP/examples/example01/reference/sibands.ps\nq-e-qe-7.5/PP/examples/example01/reference/sicharge\nq-e-qe-7.5/PP/examples/example01/run_example\nq-e-qe-7.5/PP/examples/example02/\nq-e-qe-7.5/PP/examples/example02/README\nq-e-qe-7.5/PP/examples/example02/reference/\nq-e-qe-7.5/PP/examples/example02/reference/FS.in\nq-e-qe-7.5/PP/examples/example02/reference/FS.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.dos\nq-e-qe-7.5/PP/examples/example02/reference/ni.dos.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.dos.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.dos2.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.dos2.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.fs_NSP.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.fs_NSP.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.fs_SP.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.fs_SP.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.pdos.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.pdos.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.pdos_atm#1(Ni)_wfc#1(s)\nq-e-qe-7.5/PP/examples/example02/reference/ni.pdos_atm#1(Ni)_wfc#2(d)\nq-e-qe-7.5/PP/examples/example02/reference/ni.pdos_tot\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf0.NSP.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf0.SP.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf_NSP.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf_SP.in\nq-e-qe-7.5/PP/examples/example02/reference/ni_fs.bxsf\nq-e-qe-7.5/PP/examples/example02/reference/ni_fsdw.bxsf\nq-e-qe-7.5/PP/examples/example02/reference/ni_fsup.bxsf\nq-e-qe-7.5/PP/examples/example02/run_example\nq-e-qe-7.5/PP/examples/example03/\nq-e-qe-7.5/PP/examples/example03/README\nq-e-qe-7.5/PP/examples/example03/reference/\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110+1.0eV.ps\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110-1.0eV.ps\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110.box.projwfc.out\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110.box.projwfc.ps\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110.ldos_boxes\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110.pp_stm+.out\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110.pp_stm-.out\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110re.nonscf.out\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110re.scf.out\nq-e-qe-7.5/PP/examples/example03/run_example\nq-e-qe-7.5/PP/examples/example04/\nq-e-qe-7.5/PP/examples/example04/README\nq-e-qe-7.5/PP/examples/example04/reference/\nq-e-qe-7.5/PP/examples/example04/reference/pt.bands.out\nq-e-qe-7.5/PP/examples/example04/reference/pt.nscf.out\nq-e-qe-7.5/PP/examples/example04/reference/pt.pdos.out\nq-e-qe-7.5/PP/examples/example04/reference/pt.scf.out\nq-e-qe-7.5/PP/examples/example04/run_example\nq-e-qe-7.5/PP/examples/example05/\nq-e-qe-7.5/PP/examples/example05/README\nq-e-qe-7.5/PP/examples/example05/reference/\nq-e-qe-7.5/PP/examples/example05/reference/feo_LDA.in\nq-e-qe-7.5/PP/examples/example05/reference/feo_wannier.in\nq-e-qe-7.5/PP/examples/example05/reference/pmw.in\nq-e-qe-7.5/PP/examples/example05/run_example\nq-e-qe-7.5/PP/examples/example06/\nq-e-qe-7.5/PP/examples/example06/README\nq-e-qe-7.5/PP/examples/example06/reference/\nq-e-qe-7.5/PP/examples/example06/reference/Fe.band_pbe.out\nq-e-qe-7.5/PP/examples/example06/reference/Fe.bands.out\nq-e-qe-7.5/PP/examples/example06/reference/Fe.scf_pbe.out\nq-e-qe-7.5/PP/examples/example06/reference/fe.bands.ps\nq-e-qe-7.5/PP/examples/example06/reference/plotband.out\nq-e-qe-7.5/PP/examples/example06/run_example\nq-e-qe-7.5/PP/examples/example07/\nq-e-qe-7.5/PP/examples/example07/README\nq-e-qe-7.5/PP/examples/example07/reference1/\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.nscf.in\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.pw2wan.in\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.scf-wan.in\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.scf.in\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.wan2pw.in\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.win\nq-e-qe-7.5/PP/examples/example07/reference2/\nq-e-qe-7.5/PP/examples/example07/reference2/MnO.nscf.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO.scf-wan.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO.scf.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_down.pw2wan.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_down.wan2pw.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_down.win\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_up.pw2wan.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_up.wan2pw.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_up.win\nq-e-qe-7.5/PP/examples/example07/run_example1\nq-e-qe-7.5/PP/examples/example07/run_example2\nq-e-qe-7.5/PP/examples/example08/\nq-e-qe-7.5/PP/examples/example08/README\nq-e-qe-7.5/PP/examples/example08/reference/\nq-e-qe-7.5/PP/examples/example08/reference/TiO2.pp.in\nq-e-qe-7.5/PP/examples/example08/reference/TiO2.scf.in\nq-e-qe-7.5/PP/examples/example08/run_example\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/README\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/filexml.tar.gz\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier-diff.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier-diff.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/log.pbe0.scf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/out.fourier-diff.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/out.fourier.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/pbe0.scf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/filexml.tar.gz\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier-diff.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier-diff.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/log.pbe.scf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/out.fourier-diff.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/out.fourier.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/pbe.scf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/filexml.tar.gz\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/idw-sphere.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/idw-sphere.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/idw.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/idw.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/log.pbe.scf.nosym.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/out.idw-sphere.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/out.idw.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/pbe.scf.nosym.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/filexml.tar.gz\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.bands.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.nscf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.pp.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.scf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat.gnu\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat.rap\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.nscf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.pp.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.scf.in\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/README\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/bands.dat\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.bands.in\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.bands.out\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.plotband.in\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.plotband.out\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.scf.in\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.scf.out\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/sibands-p.dat\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/sibands.dat\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/sibands.dat.gnu\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/run_example\nq-e-qe-7.5/PP/examples/fermisurf_example/\nq-e-qe-7.5/PP/examples/fermisurf_example/README\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/FS_b2pz.out\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/FS_vf.out\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/b2pz.frmsf\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#1(Mg)_wfc#1(s)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#1(Mg)_wfc#2(p)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#2(B)_wfc#1(s)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#2(B)_wfc#2(p)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#3(B)_wfc#1(s)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#3(B)_wfc#2(p)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_tot\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.proj.in\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.proj.out\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.scf.in\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.scf.out\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/vfermi.frmsf\nq-e-qe-7.5/PP/examples/fermisurf_example/run_example\nq-e-qe-7.5/PP/examples/projected_bands_example/\nq-e-qe-7.5/PP/examples/projected_bands_example/README\nq-e-qe-7.5/PP/examples/projected_bands_example/projwfc_to_bands.awk\nq-e-qe-7.5/PP/examples/projected_bands_example/reference/\nq-e-qe-7.5/PP/examples/projected_bands_example/reference/ni.kpdos_dw.png\nq-e-qe-7.5/PP/examples/projected_bands_example/reference/ni.kpdos_up.png\nq-e-qe-7.5/PP/examples/projected_bands_example/reference/pt.s-bands.png\nq-e-qe-7.5/PP/examples/projected_bands_example/reference/silicene.projbands.png\nq-e-qe-7.5/PP/examples/projected_bands_example/run_example\nq-e-qe-7.5/PP/examples/pw2gw_example/\nq-e-qe-7.5/PP/examples/pw2gw_example/README\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/bn.nscf.out.xz\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/bn.pw2gw.out.xz\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/bn.scf.out\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/epsTOT.dat\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/epsX.dat\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/epsY.dat\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/epsZ.dat\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/k.dat\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/matrixelements.xz\nq-e-qe-7.5/PP/examples/pw2gw_example/run_example\nq-e-qe-7.5/PP/examples/run_all_examples\nq-e-qe-7.5/PP/simple_transport/\nq-e-qe-7.5/PP/simple_transport/README\nq-e-qe-7.5/PP/simple_transport/examples/\nq-e-qe-7.5/PP/simple_transport/examples/eg_ef/\nq-e-qe-7.5/PP/simple_transport/examples/eg_ef/out.32\nq-e-qe-7.5/PP/simple_transport/examples/eg_ef/run_ef\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/README\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/reference/\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/reference/Def_0.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/reference/Se_0.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/reference/sig_0.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/run_0\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/README\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/dop_vs_ef\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+18.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+19.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+20.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+21.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+18.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+19.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+20.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+21.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+18\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+19\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+20\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+21\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+18.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+19.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+20.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+21.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/run_1\nq-e-qe-7.5/PP/simple_transport/examples/scf/\nq-e-qe-7.5/PP/simple_transport/examples/scf/As.pbe-n-kjpaw_psl.0.2.upf\nq-e-qe-7.5/PP/simple_transport/examples/scf/Ga.pbe-dn-kjpaw_psl.0.2.upf\nq-e-qe-7.5/PP/simple_transport/examples/scf/info-q\nq-e-qe-7.5/PP/simple_transport/examples/scf/reference/\nq-e-qe-7.5/PP/simple_transport/examples/scf/reference/GaAs.32.a2Fsave\nq-e-qe-7.5/PP/simple_transport/examples/scf/reference/GaAs.scf.out\nq-e-qe-7.5/PP/simple_transport/examples/scf/run_GaAs_scf\nq-e-qe-7.5/PP/simple_transport/src/\nq-e-qe-7.5/PP/simple_transport/src/Makefile\nq-e-qe-7.5/PP/simple_transport/src/cryst_to_car.f90\nq-e-qe-7.5/PP/simple_transport/src/dos.f90\nq-e-qe-7.5/PP/simple_transport/src/ef.f90\nq-e-qe-7.5/PP/simple_transport/src/fermi_int_0.f90\nq-e-qe-7.5/PP/simple_transport/src/fermi_int_1.f90\nq-e-qe-7.5/PP/simple_transport/src/lint.f90\nq-e-qe-7.5/PP/simple_transport/src/reducegrid.f90\nq-e-qe-7.5/PP/simple_transport/src/smearing_mod.f90\nq-e-qe-7.5/PP/simple_transport/src/vband_ibz.f90\nq-e-qe-7.5/PP/src/\nq-e-qe-7.5/PP/src/Makefile\nq-e-qe-7.5/PP/src/add_shift_cc.f90\nq-e-qe-7.5/PP/src/add_shift_lc.f90\nq-e-qe-7.5/PP/src/add_shift_us.f90\nq-e-qe-7.5/PP/src/adduscore.f90\nq-e-qe-7.5/PP/src/addusdens1d.f90\nq-e-qe-7.5/PP/src/average.f90\nq-e-qe-7.5/PP/src/band_interpolation.f90\nq-e-qe-7.5/PP/src/bands.f90\nq-e-qe-7.5/PP/src/bgw2pw.f90.orig\nq-e-qe-7.5/PP/src/chdens_bspline.f90\nq-e-qe-7.5/PP/src/chdens_bspline_sphere.f90\nq-e-qe-7.5/PP/src/chdens_module.f90\nq-e-qe-7.5/PP/src/compute_ppsi.f90\nq-e-qe-7.5/PP/src/compute_sigma_avg.f90\nq-e-qe-7.5/PP/src/cube.f90\nq-e-qe-7.5/PP/src/d3hess.f90\nq-e-qe-7.5/PP/src/d_matrix_nc.f90\nq-e-qe-7.5/PP/src/d_matrix_so.f90\nq-e-qe-7.5/PP/src/do_initial_state.f90\nq-e-qe-7.5/PP/src/do_shift_ew.f90\nq-e-qe-7.5/PP/src/dos.f90\nq-e-qe-7.5/PP/src/dosg.f90\nq-e-qe-7.5/PP/src/elf.f90\nq-e-qe-7.5/PP/src/epsilon.f90\nq-e-qe-7.5/PP/src/fermi_proj.f90\nq-e-qe-7.5/PP/src/fermi_velocity.f90\nq-e-qe-7.5/PP/src/fermisurface.f90\nq-e-qe-7.5/PP/src/fermisurfer_common.f90\nq-e-qe-7.5/PP/src/fft_interpolation_mod.f90\nq-e-qe-7.5/PP/src/fouriermod.f90\nq-e-qe-7.5/PP/src/ggen1d.f90\nq-e-qe-7.5/PP/src/globalmod.f90\nq-e-qe-7.5/PP/src/hubbard_projectors.f90\nq-e-qe-7.5/PP/src/idwmod.f90\nq-e-qe-7.5/PP/src/initial_state.f90\nq-e-qe-7.5/PP/src/lebedev.f90\nq-e-qe-7.5/PP/src/local_dos.f90\nq-e-qe-7.5/PP/src/local_dos1d.f90\nq-e-qe-7.5/PP/src/local_dos_mag.f90\nq-e-qe-7.5/PP/src/molecularpdos.f90\nq-e-qe-7.5/PP/src/open_grid.f90\nq-e-qe-7.5/PP/src/openfil_pp.f90\nq-e-qe-7.5/PP/src/oscdft_et.f90\nq-e-qe-7.5/PP/src/oscdft_et_mod.f90\nq-e-qe-7.5/PP/src/oscdft_pp.f90\nq-e-qe-7.5/PP/src/oscdft_pp_mod.f90\nq-e-qe-7.5/PP/src/partialdos.f90\nq-e-qe-7.5/PP/src/paw_postproc.f90\nq-e-qe-7.5/PP/src/pawplot.f90\nq-e-qe-7.5/PP/src/plan_avg.f90\nq-e-qe-7.5/PP/src/plotband.f90\nq-e-qe-7.5/PP/src/plotproj.f90\nq-e-qe-7.5/PP/src/plotrho.f90\nq-e-qe-7.5/PP/src/poormanwannier.f90\nq-e-qe-7.5/PP/src/postproc.f90\nq-e-qe-7.5/PP/src/postrism.f90\nq-e-qe-7.5/PP/src/pp_example.f90\nq-e-qe-7.5/PP/src/ppacf.f90\nq-e-qe-7.5/PP/src/projections_mod.f90\nq-e-qe-7.5/PP/src/projwfc.f90\nq-e-qe-7.5/PP/src/projwfc_box.f90\nq-e-qe-7.5/PP/src/punch_plot.f90\nq-e-qe-7.5/PP/src/punch_rism.f90\nq-e-qe-7.5/PP/src/pw2bgw.f90\nq-e-qe-7.5/PP/src/pw2critic.f90\nq-e-qe-7.5/PP/src/pw2gt.f90\nq-e-qe-7.5/PP/src/pw2gw.f90\nq-e-qe-7.5/PP/src/pw2wannier90.f90\nq-e-qe-7.5/PP/src/read_proj.f90\nq-e-qe-7.5/PP/src/smallgk.f90\nq-e-qe-7.5/PP/src/solvdens.f90\nq-e-qe-7.5/PP/src/stm.f90\nq-e-qe-7.5/PP/src/stop_pp.f90\nq-e-qe-7.5/PP/src/sum_band_kin.f90\nq-e-qe-7.5/PP/src/sumpdos.f90\nq-e-qe-7.5/PP/src/sym_band.f90\nq-e-qe-7.5/PP/src/vasp_read_chgcar_mod.f90\nq-e-qe-7.5/PP/src/vasp_xml_module.f90\nq-e-qe-7.5/PP/src/wannier2pw.f90\nq-e-qe-7.5/PP/src/wannier_enrg.f90\nq-e-qe-7.5/PP/src/wannier_ham.f90\nq-e-qe-7.5/PP/src/wannier_mod.f90\nq-e-qe-7.5/PP/src/wannier_plot.f90\nq-e-qe-7.5/PP/src/wannier_proj.f90\nq-e-qe-7.5/PP/src/wfck2r.f90\nq-e-qe-7.5/PP/src/work_function.f90\nq-e-qe-7.5/PP/src/write_hamiltonians.f90\nq-e-qe-7.5/PP/src/write_io_header.f90\nq-e-qe-7.5/PP/src/write_p_avg.f90\nq-e-qe-7.5/PP/src/write_proj.f90\nq-e-qe-7.5/PP/src/xc_vdW_scale_mod.f90\nq-e-qe-7.5/PP/tools/\nq-e-qe-7.5/PP/tools/sum_states.py\nq-e-qe-7.5/PW/\nq-e-qe-7.5/PW/CMakeLists.txt\nq-e-qe-7.5/PW/Doc/\nq-e-qe-7.5/PW/Doc/INPUT_OSCDFT.def\nq-e-qe-7.5/PW/Doc/INPUT_PW.def\nq-e-qe-7.5/PW/Doc/Makefile\nq-e-qe-7.5/PW/Doc/user_guide.tex\nq-e-qe-7.5/PW/Ford.md\nq-e-qe-7.5/PW/Ford/\nq-e-qe-7.5/PW/Ford/index.md\nq-e-qe-7.5/PW/Makefile\nq-e-qe-7.5/PW/examples/\nq-e-qe-7.5/PW/examples/ESM_example/\nq-e-qe-7.5/PW/examples/ESM_example/README\nq-e-qe-7.5/PW/examples/ESM_example/reference/\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc1.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc1.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc1.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_efield.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_efield.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_efield.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_m002.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_m002.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_m002.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_p002.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_p002.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_p002.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_pbc.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_pbc.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_pbc.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_bc1.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_bc1.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_bc1.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_pbc.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_pbc.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_pbc.xml\nq-e-qe-7.5/PW/examples/ESM_example/run_example\nq-e-qe-7.5/PW/examples/ESM_example/run_example_ESM\nq-e-qe-7.5/PW/examples/ESM_example/run_example_FCP\nq-e-qe-7.5/PW/examples/ESM_example/run_example_GCSCF\nq-e-qe-7.5/PW/examples/EXX_example/\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/CPBE085nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/CPBE1nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/NPBE085nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/NPBE1nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/OPBE085nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/OPBE1nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/README\nq-e-qe-7.5/PW/examples/EXX_example/README.gaupbe\nq-e-qe-7.5/PW/examples/EXX_example/reference/\nq-e-qe-7.5/PW/examples/EXX_example/reference/c.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/c.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/c.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/co.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/co.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/co.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n2.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n2.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n2.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o2.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o2.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o2.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.PBE0_nq=1.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.PBE0_nq=2.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.PBE0_nq=4.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.gaupbe_nq=1.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.gaupbe_nq=2.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.gaupbe_nq=4.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.hse_nq=1.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.hse_nq=2.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.hse_nq=4.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/summarize\nq-e-qe-7.5/PW/examples/EXX_example/run_example\nq-e-qe-7.5/PW/examples/Extffield_example/\nq-e-qe-7.5/PW/examples/Extffield_example/README\nq-e-qe-7.5/PW/examples/Extffield_example/reference/\nq-e-qe-7.5/PW/examples/Extffield_example/reference/SiH4.extffield\nq-e-qe-7.5/PW/examples/Extffield_example/reference/SiH4.inp\nq-e-qe-7.5/PW/examples/Extffield_example/reference/SiH4.out\nq-e-qe-7.5/PW/examples/Extffield_example/reference/extffield.dat\nq-e-qe-7.5/PW/examples/Extffield_example/run_example\nq-e-qe-7.5/PW/examples/README\nq-e-qe-7.5/PW/examples/RISM_example/\nq-e-qe-7.5/PW/examples/RISM_example/MOL/\nq-e-qe-7.5/PW/examples/RISM_example/MOL/Cl-.aq.MOL\nq-e-qe-7.5/PW/examples/RISM_example/MOL/Ethanol.oplsua.MOL\nq-e-qe-7.5/PW/examples/RISM_example/MOL/H2O.spc.MOL\nq-e-qe-7.5/PW/examples/RISM_example/MOL/Na+.aq.MOL\nq-e-qe-7.5/PW/examples/RISM_example/README\nq-e-qe-7.5/PW/examples/RISM_example/reference/\nq-e-qe-7.5/PW/examples/RISM_example/reference/Al-NaCl_aq.1drism\nq-e-qe-7.5/PW/examples/RISM_example/reference/Al-NaCl_aq.esm1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Al-NaCl_aq.out\nq-e-qe-7.5/PW/examples/RISM_example/reference/Al-NaCl_aq.rism1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Al-NaCl_aq.xml\nq-e-qe-7.5/PW/examples/RISM_example/reference/Cl-_NaCl_aq.1drism\nq-e-qe-7.5/PW/examples/RISM_example/reference/Cl-_NaCl_aq.esm1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Cl-_NaCl_aq.out\nq-e-qe-7.5/PW/examples/RISM_example/reference/Cl-_NaCl_aq.rism1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Cl-_NaCl_aq.xml\nq-e-qe-7.5/PW/examples/RISM_example/reference/H2O.NaCl_aq.1drism\nq-e-qe-7.5/PW/examples/RISM_example/reference/H2O.NaCl_aq.out\nq-e-qe-7.5/PW/examples/RISM_example/reference/H2O.NaCl_aq.xml\nq-e-qe-7.5/PW/examples/RISM_example/reference/HCHO.aq.1drism\nq-e-qe-7.5/PW/examples/RISM_example/reference/HCHO.aq.out\nq-e-qe-7.5/PW/examples/RISM_example/reference/HCHO.aq.xml\nq-e-qe-7.5/PW/examples/RISM_example/reference/Li-EtOH.1drism\nq-e-qe-7.5/PW/examples/RISM_example/reference/Li-EtOH.esm1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Li-EtOH.out\nq-e-qe-7.5/PW/examples/RISM_example/reference/Li-EtOH.rism1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Li-EtOH.xml\nq-e-qe-7.5/PW/examples/RISM_example/run_example\nq-e-qe-7.5/PW/examples/RISM_example/run_example_3D-RISM\nq-e-qe-7.5/PW/examples/RISM_example/run_example_ESM-RISM\nq-e-qe-7.5/PW/examples/VCSexample/\nq-e-qe-7.5/PW/examples/VCSexample/README\nq-e-qe-7.5/PW/examples/VCSexample/reference/\nq-e-qe-7.5/PW/examples/VCSexample/reference/As.bfgs00.out\nq-e-qe-7.5/PW/examples/VCSexample/reference/As.bfgs500.out\nq-e-qe-7.5/PW/examples/VCSexample/reference/As.vcs00.out\nq-e-qe-7.5/PW/examples/VCSexample/reference/As.vcs500.out\nq-e-qe-7.5/PW/examples/VCSexample/run_example\nq-e-qe-7.5/PW/examples/clean_all\nq-e-qe-7.5/PW/examples/cluster_example/\nq-e-qe-7.5/PW/examples/cluster_example/README\nq-e-qe-7.5/PW/examples/cluster_example/reference/\nq-e-qe-7.5/PW/examples/cluster_example/reference/h2o.eigenvalues\nq-e-qe-7.5/PW/examples/cluster_example/reference/h2o.out-12\nq-e-qe-7.5/PW/examples/cluster_example/reference/h2o.out-16\nq-e-qe-7.5/PW/examples/cluster_example/reference/h2o.out-20\nq-e-qe-7.5/PW/examples/cluster_example/reference/h2o.out-24\nq-e-qe-7.5/PW/examples/cluster_example/reference/n.eigenvalues\nq-e-qe-7.5/PW/examples/cluster_example/reference/n.out-12\nq-e-qe-7.5/PW/examples/cluster_example/reference/n.out-16\nq-e-qe-7.5/PW/examples/cluster_example/reference/n.out-20\nq-e-qe-7.5/PW/examples/cluster_example/reference/n.out-24\nq-e-qe-7.5/PW/examples/cluster_example/reference/nh4+.eigenvalues\nq-e-qe-7.5/PW/examples/cluster_example/reference/nh4+.out-12\nq-e-qe-7.5/PW/examples/cluster_example/reference/nh4+.out-16\nq-e-qe-7.5/PW/examples/cluster_example/reference/nh4+.out-20\nq-e-qe-7.5/PW/examples/cluster_example/reference/nh4+.out-24\nq-e-qe-7.5/PW/examples/cluster_example/run_example\nq-e-qe-7.5/PW/examples/dftd3_example/\nq-e-qe-7.5/PW/examples/dftd3_example/reference/\nq-e-qe-7.5/PW/examples/dftd3_example/reference/graphite_d2.in\nq-e-qe-7.5/PW/examples/dftd3_example/reference/graphite_d2.out\nq-e-qe-7.5/PW/examples/dftd3_example/reference/graphite_d3.in\nq-e-qe-7.5/PW/examples/dftd3_example/reference/graphite_d3.out\nq-e-qe-7.5/PW/examples/dftd3_example/run_example\nq-e-qe-7.5/PW/examples/example01/\nq-e-qe-7.5/PW/examples/example01/README\nq-e-qe-7.5/PW/examples/example01/reference/\nq-e-qe-7.5/PW/examples/example01/reference/al.band.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/al.band.david.out\nq-e-qe-7.5/PW/examples/example01/reference/al.scf.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/al.scf.david.out\nq-e-qe-7.5/PW/examples/example01/reference/cu.band.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/cu.band.david.out\nq-e-qe-7.5/PW/examples/example01/reference/cu.scf.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/cu.scf.david.out\nq-e-qe-7.5/PW/examples/example01/reference/ni.band.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/ni.band.david.out\nq-e-qe-7.5/PW/examples/example01/reference/ni.scf.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/ni.scf.david.out\nq-e-qe-7.5/PW/examples/example01/reference/si.band.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/si.band.david.out\nq-e-qe-7.5/PW/examples/example01/reference/si.scf.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/si.scf.david.out\nq-e-qe-7.5/PW/examples/example01/run_example\nq-e-qe-7.5/PW/examples/example02/\nq-e-qe-7.5/PW/examples/example02/README\nq-e-qe-7.5/PW/examples/example02/reference/\nq-e-qe-7.5/PW/examples/example02/reference/al001.mm.out\nq-e-qe-7.5/PW/examples/example02/reference/al001.rx.out\nq-e-qe-7.5/PW/examples/example02/reference/co.rx.out\nq-e-qe-7.5/PW/examples/example02/run_example\nq-e-qe-7.5/PW/examples/example03/\nq-e-qe-7.5/PW/examples/example03/README\nq-e-qe-7.5/PW/examples/example03/reference/\nq-e-qe-7.5/PW/examples/example03/reference/si.md2.out\nq-e-qe-7.5/PW/examples/example03/reference/si.md2_G3X.out\nq-e-qe-7.5/PW/examples/example03/reference/si.md8.out\nq-e-qe-7.5/PW/examples/example03/run_example\nq-e-qe-7.5/PW/examples/example04/\nq-e-qe-7.5/PW/examples/example04/README\nq-e-qe-7.5/PW/examples/example04/reference/\nq-e-qe-7.5/PW/examples/example04/reference/BP.out\nq-e-qe-7.5/PW/examples/example04/reference/chg.out\nq-e-qe-7.5/PW/examples/example04/run_example\nq-e-qe-7.5/PW/examples/example05/\nq-e-qe-7.5/PW/examples/example05/README\nq-e-qe-7.5/PW/examples/example05/reference/\nq-e-qe-7.5/PW/examples/example05/reference/Ni_gamma_d8s2.out\nq-e-qe-7.5/PW/examples/example05/reference/Ni_gamma_d9s1.out\nq-e-qe-7.5/PW/examples/example05/reference/O.out\nq-e-qe-7.5/PW/examples/example05/reference/O_gamma.out\nq-e-qe-7.5/PW/examples/example05/reference/al.out\nq-e-qe-7.5/PW/examples/example05/run_example\nq-e-qe-7.5/PW/examples/example06/\nq-e-qe-7.5/PW/examples/example06/README\nq-e-qe-7.5/PW/examples/example06/reference/\nq-e-qe-7.5/PW/examples/example06/reference/cu.band.out\nq-e-qe-7.5/PW/examples/example06/reference/cu.cg.out\nq-e-qe-7.5/PW/examples/example06/reference/cu.scf.out\nq-e-qe-7.5/PW/examples/example06/reference/fe.angl.out\nq-e-qe-7.5/PW/examples/example06/reference/fe.band.out\nq-e-qe-7.5/PW/examples/example06/reference/fe.pen.out\nq-e-qe-7.5/PW/examples/example06/reference/fe.scf.out\nq-e-qe-7.5/PW/examples/example06/reference/fe.total.out\nq-e-qe-7.5/PW/examples/example06/reference/ni.band.out\nq-e-qe-7.5/PW/examples/example06/reference/ni.scf.out\nq-e-qe-7.5/PW/examples/example06/reference/o2.relax.out\nq-e-qe-7.5/PW/examples/example06/run_example\nq-e-qe-7.5/PW/examples/example07/\nq-e-qe-7.5/PW/examples/example07/README\nq-e-qe-7.5/PW/examples/example07/reference/\nq-e-qe-7.5/PW/examples/example07/reference/bands.pt.re\nq-e-qe-7.5/PW/examples/example07/reference/pt.nscf.out\nq-e-qe-7.5/PW/examples/example07/reference/pt.scf.out\nq-e-qe-7.5/PW/examples/example07/run_example\nq-e-qe-7.5/PW/examples/example08/\nq-e-qe-7.5/PW/examples/example08/README\nq-e-qe-7.5/PW/examples/example08/reference/\nq-e-qe-7.5/PW/examples/example08/reference/feo_LDA.in\nq-e-qe-7.5/PW/examples/example08/reference/feo_standard.in\nq-e-qe-7.5/PW/examples/example08/reference/feo_user_ns.in\nq-e-qe-7.5/PW/examples/example08/run_example\nq-e-qe-7.5/PW/examples/example09/\nq-e-qe-7.5/PW/examples/example09/README\nq-e-qe-7.5/PW/examples/example09/reference/\nq-e-qe-7.5/PW/examples/example09/reference/c4h6.pw.metaGGA.out\nq-e-qe-7.5/PW/examples/example09/run_example\nq-e-qe-7.5/PW/examples/example10/\nq-e-qe-7.5/PW/examples/example10/README\nq-e-qe-7.5/PW/examples/example10/reference/\nq-e-qe-7.5/PW/examples/example10/reference/alas.scf.efield.out\nq-e-qe-7.5/PW/examples/example10/reference/alas.scf.efield2.out\nq-e-qe-7.5/PW/examples/example10/reference/si.scf.efield.out\nq-e-qe-7.5/PW/examples/example10/reference/si.scf.efield2.out\nq-e-qe-7.5/PW/examples/example10/run_example\nq-e-qe-7.5/PW/examples/example11/\nq-e-qe-7.5/PW/examples/example11/README\nq-e-qe-7.5/PW/examples/example11/reference/\nq-e-qe-7.5/PW/examples/example11/reference/Fe.band_pbe.out\nq-e-qe-7.5/PW/examples/example11/reference/Fe.scf_pbe.out\nq-e-qe-7.5/PW/examples/example11/run_example\nq-e-qe-7.5/PW/examples/example12/\nq-e-qe-7.5/PW/examples/example12/README\nq-e-qe-7.5/PW/examples/example12/reference/\nq-e-qe-7.5/PW/examples/example12/reference/Fe.bands.in\nq-e-qe-7.5/PW/examples/example12/reference/Fe.bands.out\nq-e-qe-7.5/PW/examples/example12/reference/Fe.scf.in\nq-e-qe-7.5/PW/examples/example12/reference/Fe.scf.out\nq-e-qe-7.5/PW/examples/example12/run_example\nq-e-qe-7.5/PW/examples/example13/\nq-e-qe-7.5/PW/examples/example13/reference/\nq-e-qe-7.5/PW/examples/example13/reference/LiCoO2.scf.in\nq-e-qe-7.5/PW/examples/example13/reference/LiCoO2.scf.out\nq-e-qe-7.5/PW/examples/example13/run_example\nq-e-qe-7.5/PW/examples/example14/\nq-e-qe-7.5/PW/examples/example14/README\nq-e-qe-7.5/PW/examples/example14/reference/\nq-e-qe-7.5/PW/examples/example14/reference/srvo3.dmft_scf.out\nq-e-qe-7.5/PW/examples/example14/reference/srvo3.nscf.out\nq-e-qe-7.5/PW/examples/example14/reference/srvo3.scf.out\nq-e-qe-7.5/PW/examples/example14/run_example\nq-e-qe-7.5/PW/examples/example14/srvo3_dmft.h5\nq-e-qe-7.5/PW/examples/example15/\nq-e-qe-7.5/PW/examples/example15/README\nq-e-qe-7.5/PW/examples/example15/reference1/\nq-e-qe-7.5/PW/examples/example15/reference1/FeO.scf.in\nq-e-qe-7.5/PW/examples/example15/reference1/oscdft.in\nq-e-qe-7.5/PW/examples/example15/reference2/\nq-e-qe-7.5/PW/examples/example15/reference2/FeO.scf.in\nq-e-qe-7.5/PW/examples/example15/reference2/oscdft.in\nq-e-qe-7.5/PW/examples/example15/run1\nq-e-qe-7.5/PW/examples/example15/run2\nq-e-qe-7.5/PW/examples/example16/\nq-e-qe-7.5/PW/examples/example16/README\nq-e-qe-7.5/PW/examples/example16/reference/\nq-e-qe-7.5/PW/examples/example16/reference/LiCoO2.scf.1.in\nq-e-qe-7.5/PW/examples/example16/reference/LiCoO2.scf.2.in\nq-e-qe-7.5/PW/examples/example16/run_example\nq-e-qe-7.5/PW/examples/example17/\nq-e-qe-7.5/PW/examples/example17/README\nq-e-qe-7.5/PW/examples/example17/reference/\nq-e-qe-7.5/PW/examples/example17/reference/LiCoO2.scf.in\nq-e-qe-7.5/PW/examples/example17/run_example\nq-e-qe-7.5/PW/examples/gammaDFT_example/\nq-e-qe-7.5/PW/examples/gammaDFT_example/README\nq-e-qe-7.5/PW/examples/gammaDFT_example/reference/\nq-e-qe-7.5/PW/examples/gammaDFT_example/reference/MgO_1.in\nq-e-qe-7.5/PW/examples/gammaDFT_example/reference/MgO_2.in\nq-e-qe-7.5/PW/examples/gammaDFT_example/reference/MgO_3.in\nq-e-qe-7.5/PW/examples/gammaDFT_example/run_example\nq-e-qe-7.5/PW/examples/gatefield/\nq-e-qe-7.5/PW/examples/gatefield/reference/\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10.bands.in\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10.bands.out\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10.in\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10.out\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10_nobarrier.bands.in\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10_nobarrier.bands.out\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10_nobarrier.in\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10_nobarrier.out\nq-e-qe-7.5/PW/examples/gatefield/reference/single_-0.10.in\nq-e-qe-7.5/PW/examples/gatefield/reference/single_-0.10.out\nq-e-qe-7.5/PW/examples/gatefield/run_example\nq-e-qe-7.5/PW/examples/run_all_examples\nq-e-qe-7.5/PW/examples/vdwDF_example/\nq-e-qe-7.5/PW/examples/vdwDF_example/README\nq-e-qe-7.5/PW/examples/vdwDF_example/reference/\nq-e-qe-7.5/PW/examples/vdwDF_example/reference/Ar.scf.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference/graphite.scf.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference/water.scf.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/graphite.scf.+1.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/graphite.scf.-1.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/graphite.scf.0.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/water.scf.+1.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/water.scf.-1.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/water.scf.0.out\nq-e-qe-7.5/PW/examples/vdwDF_example/run_example\nq-e-qe-7.5/PW/examples/vdwDF_example/run_example_delta_scf\nq-e-qe-7.5/PW/src/\nq-e-qe-7.5/PW/src/Coul_cut_2D.f90\nq-e-qe-7.5/PW/src/Makefile\nq-e-qe-7.5/PW/src/a2fmod.f90\nq-e-qe-7.5/PW/src/acfdt_in_pw.f90\nq-e-qe-7.5/PW/src/add_bfield.f90\nq-e-qe-7.5/PW/src/add_dmft_occ.f90\nq-e-qe-7.5/PW/src/add_efield.f90\nq-e-qe-7.5/PW/src/add_gatefield.f90\nq-e-qe-7.5/PW/src/add_paw_to_deeq.f90\nq-e-qe-7.5/PW/src/add_paw_to_deeq_acc.f90\nq-e-qe-7.5/PW/src/add_qexsd_step.f90\nq-e-qe-7.5/PW/src/add_vhub_to_deeq.f90\nq-e-qe-7.5/PW/src/add_vhub_to_deeq_acc.f90\nq-e-qe-7.5/PW/src/add_vuspsi.f90\nq-e-qe-7.5/PW/src/add_vuspsi_acc.f90\nq-e-qe-7.5/PW/src/addusdens.f90\nq-e-qe-7.5/PW/src/addusforce.f90\nq-e-qe-7.5/PW/src/addusstress.f90\nq-e-qe-7.5/PW/src/allocate_fft.f90\nq-e-qe-7.5/PW/src/allocate_locpot.f90\nq-e-qe-7.5/PW/src/allocate_wfc.f90\nq-e-qe-7.5/PW/src/atomic_rho.f90\nq-e-qe-7.5/PW/src/atomic_wfc.f90\nq-e-qe-7.5/PW/src/atomic_wfc_mod.f90\nq-e-qe-7.5/PW/src/average_pp.f90\nq-e-qe-7.5/PW/src/beef.f90\nq-e-qe-7.5/PW/src/bp_c_phase.f90\nq-e-qe-7.5/PW/src/bp_mod.f90\nq-e-qe-7.5/PW/src/bp_strings.f90\nq-e-qe-7.5/PW/src/buffers.f90\nq-e-qe-7.5/PW/src/c_bands.f90\nq-e-qe-7.5/PW/src/c_phase_field.f90\nq-e-qe-7.5/PW/src/cdiagh.f90\nq-e-qe-7.5/PW/src/clean_pw.f90\nq-e-qe-7.5/PW/src/close_files.f90\nq-e-qe-7.5/PW/src/commutator_Hx_psi.f90\nq-e-qe-7.5/PW/src/commutator_Vhubx_psi.f90\nq-e-qe-7.5/PW/src/compute_becsum.f90\nq-e-qe-7.5/PW/src/compute_deff.f90\nq-e-qe-7.5/PW/src/compute_dip.f90\nq-e-qe-7.5/PW/src/compute_qdipol.f90\nq-e-qe-7.5/PW/src/compute_qdipol_so.f90\nq-e-qe-7.5/PW/src/compute_rho.f90\nq-e-qe-7.5/PW/src/compute_ux.f90\nq-e-qe-7.5/PW/src/coset.f90\nq-e-qe-7.5/PW/src/d3hess_mod.f90\nq-e-qe-7.5/PW/src/d_matrix.f90\nq-e-qe-7.5/PW/src/data_structure.f90\nq-e-qe-7.5/PW/src/divide_class.f90\nq-e-qe-7.5/PW/src/divide_class_so.f90\nq-e-qe-7.5/PW/src/divide_et_impera.f90\nq-e-qe-7.5/PW/src/dynamics_module.f90\nq-e-qe-7.5/PW/src/efermig.f90\nq-e-qe-7.5/PW/src/efermit.f90\nq-e-qe-7.5/PW/src/electrons.f90\nq-e-qe-7.5/PW/src/environ_io_stub.f90\nq-e-qe-7.5/PW/src/environ_pw_module.f90\nq-e-qe-7.5/PW/src/eqvect.f90\nq-e-qe-7.5/PW/src/esm.f90\nq-e-qe-7.5/PW/src/esm_common_mod.f90\nq-e-qe-7.5/PW/src/esm_ewald_mod.f90\nq-e-qe-7.5/PW/src/esm_force_mod.f90\nq-e-qe-7.5/PW/src/esm_hartree_mod.f90\nq-e-qe-7.5/PW/src/esm_local_mod.f90\nq-e-qe-7.5/PW/src/esm_stres_mod.f90\nq-e-qe-7.5/PW/src/ewald.f90\nq-e-qe-7.5/PW/src/ewald_dipole.f90\nq-e-qe-7.5/PW/src/extfield.f90\nq-e-qe-7.5/PW/src/exx.f90\nq-e-qe-7.5/PW/src/exx_band.f90\nq-e-qe-7.5/PW/src/exx_base.f90\nq-e-qe-7.5/PW/src/fcp_capacitance.f90\nq-e-qe-7.5/PW/src/fcp_dyn_calcavg.f90\nq-e-qe-7.5/PW/src/fcp_dyn_printavg.f90\nq-e-qe-7.5/PW/src/fcp_dynamics.f90\nq-e-qe-7.5/PW/src/fcp_hessian.f90\nq-e-qe-7.5/PW/src/fcp_input.f90\nq-e-qe-7.5/PW/src/fcp_module.f90\nq-e-qe-7.5/PW/src/fcp_relaxation.f90\nq-e-qe-7.5/PW/src/find_group.f90\nq-e-qe-7.5/PW/src/force_cc.f90\nq-e-qe-7.5/PW/src/force_corr.f90\nq-e-qe-7.5/PW/src/force_ew.f90\nq-e-qe-7.5/PW/src/force_hub.f90\nq-e-qe-7.5/PW/src/force_lc.f90\nq-e-qe-7.5/PW/src/force_us.f90\nq-e-qe-7.5/PW/src/forces.f90\nq-e-qe-7.5/PW/src/forces_bp_efield.f90\nq-e-qe-7.5/PW/src/g2_kin.f90\nq-e-qe-7.5/PW/src/g_psi.f90\nq-e-qe-7.5/PW/src/g_psi_mod.f90\nq-e-qe-7.5/PW/src/gcscf_input.f90\nq-e-qe-7.5/PW/src/gcscf_module.f90\nq-e-qe-7.5/PW/src/gen_at_dj.f90\nq-e-qe-7.5/PW/src/gen_at_dy.f90\nq-e-qe-7.5/PW/src/get_locals.f90\nq-e-qe-7.5/PW/src/gk_sort.f90\nq-e-qe-7.5/PW/src/gradcorr.f90\nq-e-qe-7.5/PW/src/gweights.f90\nq-e-qe-7.5/PW/src/h_epsi_her_apply.f90\nq-e-qe-7.5/PW/src/h_epsi_her_set.f90\nq-e-qe-7.5/PW/src/h_psi.f90\nq-e-qe-7.5/PW/src/h_psi_gpu.f90\nq-e-qe-7.5/PW/src/h_psi_meta.f90\nq-e-qe-7.5/PW/src/hinit0.f90\nq-e-qe-7.5/PW/src/hinit1.f90\nq-e-qe-7.5/PW/src/hs_1psi.f90\nq-e-qe-7.5/PW/src/hs_1psi_gpu.f90\nq-e-qe-7.5/PW/src/hs_psi.f90\nq-e-qe-7.5/PW/src/hs_psi_gpu.f90\nq-e-qe-7.5/PW/src/hubbard.f90\nq-e-qe-7.5/PW/src/init_ns.f90\nq-e-qe-7.5/PW/src/init_nsg.f90\nq-e-qe-7.5/PW/src/init_q_aeps.f90\nq-e-qe-7.5/PW/src/init_run.f90\nq-e-qe-7.5/PW/src/init_us_2.f90\nq-e-qe-7.5/PW/src/init_vloc.f90\nq-e-qe-7.5/PW/src/input.f90\nq-e-qe-7.5/PW/src/intersite_V.f90\nq-e-qe-7.5/PW/src/io_rho_xml.f90\nq-e-qe-7.5/PW/src/irrek.f90\nq-e-qe-7.5/PW/src/iweights.f90\nq-e-qe-7.5/PW/src/kpoint_grid.f90\nq-e-qe-7.5/PW/src/lchk_tauxk.f90\nq-e-qe-7.5/PW/src/ldaU.f90\nq-e-qe-7.5/PW/src/loc_scdm.f90\nq-e-qe-7.5/PW/src/loc_scdm_k.f90\nq-e-qe-7.5/PW/src/make_pointlists.f90\nq-e-qe-7.5/PW/src/manypw.f90\nq-e-qe-7.5/PW/src/martyna_tuckerman.f90\nq-e-qe-7.5/PW/src/memory_report.f90\nq-e-qe-7.5/PW/src/mix_rho.f90\nq-e-qe-7.5/PW/src/move_ions.f90\nq-e-qe-7.5/PW/src/multable.f90\nq-e-qe-7.5/PW/src/n_plane_waves.f90\nq-e-qe-7.5/PW/src/new_ns.f90\nq-e-qe-7.5/PW/src/new_nsb.f90\nq-e-qe-7.5/PW/src/new_nsg.f90\nq-e-qe-7.5/PW/src/new_occ.f90\nq-e-qe-7.5/PW/src/newd_acc.f90\nq-e-qe-7.5/PW/src/non_scf.f90\nq-e-qe-7.5/PW/src/ns_adj.f90\nq-e-qe-7.5/PW/src/nsg_adj.f90\nq-e-qe-7.5/PW/src/offset_atom_wfc.f90\nq-e-qe-7.5/PW/src/openfil.f90\nq-e-qe-7.5/PW/src/orbm_kubo.f90\nq-e-qe-7.5/PW/src/orthoUwfc.f90\nq-e-qe-7.5/PW/src/ortho_wfc.f90\nq-e-qe-7.5/PW/src/orthoatwfc.f90\nq-e-qe-7.5/PW/src/oscdft_base.f90\nq-e-qe-7.5/PW/src/oscdft_context.f90\nq-e-qe-7.5/PW/src/oscdft_enums.f90\nq-e-qe-7.5/PW/src/oscdft_extended.f90\nq-e-qe-7.5/PW/src/oscdft_forces.f90\nq-e-qe-7.5/PW/src/oscdft_forces_subs.f90\nq-e-qe-7.5/PW/src/oscdft_functions.f90\nq-e-qe-7.5/PW/src/oscdft_functions_gpu.f90\nq-e-qe-7.5/PW/src/oscdft_indices.f90\nq-e-qe-7.5/PW/src/oscdft_input.f90\nq-e-qe-7.5/PW/src/oscdft_occupations.f90\nq-e-qe-7.5/PW/src/oscdft_wavefunction.f90\nq-e-qe-7.5/PW/src/oscdft_wavefunction_subs.f90\nq-e-qe-7.5/PW/src/oscdft_wfcO.f90\nq-e-qe-7.5/PW/src/output_tau.f90\nq-e-qe-7.5/PW/src/para.f90\nq-e-qe-7.5/PW/src/paw_exx.f90\nq-e-qe-7.5/PW/src/paw_init.f90\nq-e-qe-7.5/PW/src/paw_onecenter.f90\nq-e-qe-7.5/PW/src/paw_symmetry.f90\nq-e-qe-7.5/PW/src/plugin_check.f90\nq-e-qe-7.5/PW/src/plugin_clean.f90\nq-e-qe-7.5/PW/src/plugin_clock.f90\nq-e-qe-7.5/PW/src/plugin_ext_forces.f90\nq-e-qe-7.5/PW/src/plugin_init_cell.f90\nq-e-qe-7.5/PW/src/plugin_init_ions.f90\nq-e-qe-7.5/PW/src/plugin_init_potential.f90\nq-e-qe-7.5/PW/src/plugin_initbase.f90\nq-e-qe-7.5/PW/src/plugin_initialization.f90\nq-e-qe-7.5/PW/src/plugin_int_forces.f90\nq-e-qe-7.5/PW/src/plugin_print_energies.f90\nq-e-qe-7.5/PW/src/plugin_read_input.f90\nq-e-qe-7.5/PW/src/plugin_scf_energy.f90\nq-e-qe-7.5/PW/src/plugin_scf_potential.f90\nq-e-qe-7.5/PW/src/plugin_summary.f90\nq-e-qe-7.5/PW/src/plus_u_full.f90\nq-e-qe-7.5/PW/src/potinit.f90\nq-e-qe-7.5/PW/src/print_clock_pw.f90\nq-e-qe-7.5/PW/src/print_ks_energies.f90\nq-e-qe-7.5/PW/src/punch.f90\nq-e-qe-7.5/PW/src/pw2blip.f90\nq-e-qe-7.5/PW/src/pw2casino.f90\nq-e-qe-7.5/PW/src/pw2casino_write.f90\nq-e-qe-7.5/PW/src/pw_init_qexsd_input.f90\nq-e-qe-7.5/PW/src/pw_restart_new.f90\nq-e-qe-7.5/PW/src/pwcom.f90\nq-e-qe-7.5/PW/src/pwscf.f90\nq-e-qe-7.5/PW/src/rdiagh.f90\nq-e-qe-7.5/PW/src/read_conf_from_file.f90\nq-e-qe-7.5/PW/src/read_file_new.f90\nq-e-qe-7.5/PW/src/realus.f90\nq-e-qe-7.5/PW/src/remove_atomic_rho.f90\nq-e-qe-7.5/PW/src/report_mag.f90\nq-e-qe-7.5/PW/src/restart_in_electrons.f90\nq-e-qe-7.5/PW/src/rho2zeta.f90\nq-e-qe-7.5/PW/src/rism_module.f90\nq-e-qe-7.5/PW/src/rotate_wfc.f90\nq-e-qe-7.5/PW/src/rotate_wfc_gpu.f90\nq-e-qe-7.5/PW/src/run_driver.f90\nq-e-qe-7.5/PW/src/run_pwscf.f90\nq-e-qe-7.5/PW/src/ruotaijk.f90\nq-e-qe-7.5/PW/src/s_1psi.f90\nq-e-qe-7.5/PW/src/s_1psi_gpu.f90\nq-e-qe-7.5/PW/src/s_psi.f90\nq-e-qe-7.5/PW/src/s_psi_acc.f90\nq-e-qe-7.5/PW/src/save_in_cbands.f90\nq-e-qe-7.5/PW/src/save_in_electrons.f90\nq-e-qe-7.5/PW/src/scale_h.f90\nq-e-qe-7.5/PW/src/scf_mod.f90\nq-e-qe-7.5/PW/src/scissor.f90\nq-e-qe-7.5/PW/src/set_kplusq.f90\nq-e-qe-7.5/PW/src/set_kup_and_kdw.f90\nq-e-qe-7.5/PW/src/set_occupations.f90\nq-e-qe-7.5/PW/src/set_rhoc.f90\nq-e-qe-7.5/PW/src/set_spin_vars.f90\nq-e-qe-7.5/PW/src/set_vrs.f90\nq-e-qe-7.5/PW/src/setlocal.f90\nq-e-qe-7.5/PW/src/setup.f90\nq-e-qe-7.5/PW/src/sic.f90\nq-e-qe-7.5/PW/src/start_k.f90\nq-e-qe-7.5/PW/src/starting_scf_mod.f90\nq-e-qe-7.5/PW/src/stop_run.f90\nq-e-qe-7.5/PW/src/stres_cc.f90\nq-e-qe-7.5/PW/src/stres_ewa.f90\nq-e-qe-7.5/PW/src/stres_gradcorr.f90\nq-e-qe-7.5/PW/src/stres_har.f90\nq-e-qe-7.5/PW/src/stres_hub.f90\nq-e-qe-7.5/PW/src/stres_knl.f90\nq-e-qe-7.5/PW/src/stres_loc.f90\nq-e-qe-7.5/PW/src/stres_mgga.f90\nq-e-qe-7.5/PW/src/stres_nonloc_dft.f90\nq-e-qe-7.5/PW/src/stres_us.f90\nq-e-qe-7.5/PW/src/stress.f90\nq-e-qe-7.5/PW/src/struct_fact.f90\nq-e-qe-7.5/PW/src/sum_band.f90\nq-e-qe-7.5/PW/src/sumkg.f90\nq-e-qe-7.5/PW/src/sumkt.f90\nq-e-qe-7.5/PW/src/summary.f90\nq-e-qe-7.5/PW/src/symm_base.f90\nq-e-qe-7.5/PW/src/symme.f90\nq-e-qe-7.5/PW/src/symmetrize_at.f90\nq-e-qe-7.5/PW/src/tetra.f90\nq-e-qe-7.5/PW/src/transform_becsum_nc.f90\nq-e-qe-7.5/PW/src/transform_becsum_so.f90\nq-e-qe-7.5/PW/src/trnvecc.f90\nq-e-qe-7.5/PW/src/two_chem.f90\nq-e-qe-7.5/PW/src/update_pot.f90\nq-e-qe-7.5/PW/src/us_exx.f90\nq-e-qe-7.5/PW/src/usnldiag.f90\nq-e-qe-7.5/PW/src/utils.f90\nq-e-qe-7.5/PW/src/utils_gpu.f90\nq-e-qe-7.5/PW/src/v_of_rho.f90\nq-e-qe-7.5/PW/src/vcsmd.f90\nq-e-qe-7.5/PW/src/vcsubs.f90\nq-e-qe-7.5/PW/src/vhpsi.f90\nq-e-qe-7.5/PW/src/vhpsi_gpu.f90\nq-e-qe-7.5/PW/src/vloc_psi_acc.f90\nq-e-qe-7.5/PW/src/vloc_psi_tg.f90\nq-e-qe-7.5/PW/src/wannier_check.f90\nq-e-qe-7.5/PW/src/wannier_clean.f90\nq-e-qe-7.5/PW/src/wannier_init.f90\nq-e-qe-7.5/PW/src/wannier_occ.f90\nq-e-qe-7.5/PW/src/weights.f90\nq-e-qe-7.5/PW/src/wfcinit.f90\nq-e-qe-7.5/PW/src/write_ns.f90\nq-e-qe-7.5/PW/src/wsweight.f90\nq-e-qe-7.5/PW/src/xdm_dispersion.f90\nq-e-qe-7.5/PW/tools/\nq-e-qe-7.5/PW/tools/MINpuT.ipynb\nq-e-qe-7.5/PW/tools/MINpuT.py\nq-e-qe-7.5/PW/tools/Makefile\nq-e-qe-7.5/PW/tools/README\nq-e-qe-7.5/PW/tools/README_MINpuT.txt\nq-e-qe-7.5/PW/tools/castep2qe.sh\nq-e-qe-7.5/PW/tools/cell2ibrav.f90\nq-e-qe-7.5/PW/tools/cif2qe.sh\nq-e-qe-7.5/PW/tools/ev.f90\nq-e-qe-7.5/PW/tools/graphene.cif\nq-e-qe-7.5/PW/tools/graphene_hBN.in\nq-e-qe-7.5/PW/tools/hBN.cif\nq-e-qe-7.5/PW/tools/ibrav2cell.f90\nq-e-qe-7.5/PW/tools/kpoints.f90\nq-e-qe-7.5/PW/tools/md_analyzer.sh\nq-e-qe-7.5/PW/tools/pwi2xsf.f90\nq-e-qe-7.5/PW/tools/pwi2xsf.sh\nq-e-qe-7.5/PW/tools/pwo2xsf.sh\nq-e-qe-7.5/PW/tools/qeout2axsf.sh\nq-e-qe-7.5/PW/tools/rism1d.f90\nq-e-qe-7.5/PW/tools/scan_ibrav.f90\nq-e-qe-7.5/PW/tools/system.cif\nq-e-qe-7.5/PW/tools/xsf2pwi.sh\nq-e-qe-7.5/PWCOND/\nq-e-qe-7.5/PWCOND/CMakeLists.txt\nq-e-qe-7.5/PWCOND/Doc/\nq-e-qe-7.5/PWCOND/Doc/INPUT_PWCOND.def\nq-e-qe-7.5/PWCOND/Doc/INPUT_PWCOND.html\nq-e-qe-7.5/PWCOND/Doc/INPUT_PWCOND.txt\nq-e-qe-7.5/PWCOND/Doc/Makefile\nq-e-qe-7.5/PWCOND/Makefile\nq-e-qe-7.5/PWCOND/examples/\nq-e-qe-7.5/PWCOND/examples/clean_all\nq-e-qe-7.5/PWCOND/examples/example01/\nq-e-qe-7.5/PWCOND/examples/example01/README\nq-e-qe-7.5/PWCOND/examples/example01/reference/\nq-e-qe-7.5/PWCOND/examples/example01/reference/AlwireAl.cond.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/AlwireH.cond.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/AlwireH.scf.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/al.cond.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/al.scf.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/alwire.cond.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/alwire.scf.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/alwire1.scf.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.al.co\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.al.im\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.al.re\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.alwire.co\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.alwire.im\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.alwire.re\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.ni_down.co\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.ni_down.im\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.ni_down.re\nq-e-qe-7.5/PWCOND/examples/example01/reference/ni.cond.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/ni.scf.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/trans.alwire\nq-e-qe-7.5/PWCOND/examples/example01/reference/trans.alwireh\nq-e-qe-7.5/PWCOND/examples/example01/run_example\nq-e-qe-7.5/PWCOND/examples/example02/\nq-e-qe-7.5/PWCOND/examples/example02/README\nq-e-qe-7.5/PWCOND/examples/example02/reference/\nq-e-qe-7.5/PWCOND/examples/example02/reference/pt.cond.out\nq-e-qe-7.5/PWCOND/examples/example02/reference/pt.cond_t.out\nq-e-qe-7.5/PWCOND/examples/example02/reference/pt.tet.out\nq-e-qe-7.5/PWCOND/examples/example02/reference/pt4.out\nq-e-qe-7.5/PWCOND/examples/example02/run_example\nq-e-qe-7.5/PWCOND/examples/example03/\nq-e-qe-7.5/PWCOND/examples/example03/README\nq-e-qe-7.5/PWCOND/examples/example03/reference/\nq-e-qe-7.5/PWCOND/examples/example03/reference/Auwire.cond.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/Auwire.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/Auwire1.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/Auwire1U.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/AuwireU.cond.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/AuwireU.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/COatAuwire.cond.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/COatAuwire.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/COatAuwireU.cond.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/COatAuwireU.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/bands.Auwire.co_im\nq-e-qe-7.5/PWCOND/examples/example03/reference/bands.Auwire.co_re\nq-e-qe-7.5/PWCOND/examples/example03/reference/bands.Auwire.im\nq-e-qe-7.5/PWCOND/examples/example03/reference/bands.Auwire.re\nq-e-qe-7.5/PWCOND/examples/example03/reference/bandsU.Auwire.co_im\nq-e-qe-7.5/PWCOND/examples/example03/reference/bandsU.Auwire.co_re\nq-e-qe-7.5/PWCOND/examples/example03/reference/bandsU.Auwire.im\nq-e-qe-7.5/PWCOND/examples/example03/reference/bandsU.Auwire.re\nq-e-qe-7.5/PWCOND/examples/example03/reference/plot_results.gnu\nq-e-qe-7.5/PWCOND/examples/example03/reference/trans.AuwireCO\nq-e-qe-7.5/PWCOND/examples/example03/reference/transU.AuwireCO\nq-e-qe-7.5/PWCOND/examples/example03/run_example\nq-e-qe-7.5/PWCOND/examples/run_all_examples\nq-e-qe-7.5/PWCOND/src/\nq-e-qe-7.5/PWCOND/src/Makefile\nq-e-qe-7.5/PWCOND/src/allocate_cond.f90\nq-e-qe-7.5/PWCOND/src/bessj.f90\nq-e-qe-7.5/PWCOND/src/compbs.f90\nq-e-qe-7.5/PWCOND/src/compbs_2.f90\nq-e-qe-7.5/PWCOND/src/cond_out.f90\nq-e-qe-7.5/PWCOND/src/cond_restart.f90\nq-e-qe-7.5/PWCOND/src/condcom.f90\nq-e-qe-7.5/PWCOND/src/condmain.f90\nq-e-qe-7.5/PWCOND/src/do_cond.f90\nq-e-qe-7.5/PWCOND/src/eigenchnl.f90\nq-e-qe-7.5/PWCOND/src/form_zk.f90\nq-e-qe-7.5/PWCOND/src/four.f90\nq-e-qe-7.5/PWCOND/src/free_mem.f90\nq-e-qe-7.5/PWCOND/src/gep_x.f90\nq-e-qe-7.5/PWCOND/src/gramsh.f90\nq-e-qe-7.5/PWCOND/src/hev_ab.f90\nq-e-qe-7.5/PWCOND/src/init_cond.f90\nq-e-qe-7.5/PWCOND/src/init_gper.f90\nq-e-qe-7.5/PWCOND/src/init_orbitals.f90\nq-e-qe-7.5/PWCOND/src/integrals.f90\nq-e-qe-7.5/PWCOND/src/jbloch.f90\nq-e-qe-7.5/PWCOND/src/kbloch.f90\nq-e-qe-7.5/PWCOND/src/local.f90\nq-e-qe-7.5/PWCOND/src/local_set.f90\nq-e-qe-7.5/PWCOND/src/openfil_cond.f90\nq-e-qe-7.5/PWCOND/src/plus_u_setup.f90\nq-e-qe-7.5/PWCOND/src/poten.f90\nq-e-qe-7.5/PWCOND/src/print_clock_pwcond.f90\nq-e-qe-7.5/PWCOND/src/realus_scatt.f90\nq-e-qe-7.5/PWCOND/src/rotproc.f90\nq-e-qe-7.5/PWCOND/src/save_cond.f90\nq-e-qe-7.5/PWCOND/src/scat_states_plot.f90\nq-e-qe-7.5/PWCOND/src/scatter_forw.f90\nq-e-qe-7.5/PWCOND/src/summary_band.f90\nq-e-qe-7.5/PWCOND/src/summary_tran.f90\nq-e-qe-7.5/PWCOND/src/sunitary.f90\nq-e-qe-7.5/PWCOND/src/transmit.f90\nq-e-qe-7.5/QEHeat/\nq-e-qe-7.5/QEHeat/CMakeLists.txt\nq-e-qe-7.5/QEHeat/Doc/\nq-e-qe-7.5/QEHeat/Doc/INPUT_ALL_CURRENTS.def\nq-e-qe-7.5/QEHeat/Doc/INPUT_ALL_CURRENTS.html\nq-e-qe-7.5/QEHeat/Doc/INPUT_ALL_CURRENTS.txt\nq-e-qe-7.5/QEHeat/Doc/Makefile\nq-e-qe-7.5/QEHeat/Doc/input_xx.xsl\nq-e-qe-7.5/QEHeat/Makefile\nq-e-qe-7.5/QEHeat/README\nq-e-qe-7.5/QEHeat/examples/\nq-e-qe-7.5/QEHeat/examples/README.md\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/input\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/reference/\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/reference/current_hz\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/reference/current_hz.dat\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/reference/output\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/run_example.sh\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/traj.pos\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/traj.vel\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/input_energycurrent\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/reference/\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/reference/current_hz\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/reference/current_hz.dat\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/reference/output_energycurrent\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/run_example.sh\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/input_all_currents\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/input_cp\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/current_hz\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/current_hz.dat\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/out_all_currents\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/out_cp\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.0_0\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.cel\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.con\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.eig\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.evp\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.for\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.hrs\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.ncg\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.nos\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.pol\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.pos\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.spr\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.str\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.the\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.vel\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.wfc\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/run_example_water\nq-e-qe-7.5/QEHeat/examples/pseudo/\nq-e-qe-7.5/QEHeat/examples/pseudo/Ar_ONCV_PBE-1.0.upf\nq-e-qe-7.5/QEHeat/examples/pseudo/H_HSCV_PBE-1.0.upf\nq-e-qe-7.5/QEHeat/examples/pseudo/O_HSCV_PBE-1.0.upf\nq-e-qe-7.5/QEHeat/examples/pseudo/O_ONCV_PBE-1.0.upf\nq-e-qe-7.5/QEHeat/examples/pseudo/Si_ONCV_PBE-1.1.upf\nq-e-qe-7.5/QEHeat/src/\nq-e-qe-7.5/QEHeat/src/Makefile\nq-e-qe-7.5/QEHeat/src/all_currents.f90\nq-e-qe-7.5/QEHeat/src/averages.f90\nq-e-qe-7.5/QEHeat/src/compute_charge.f90\nq-e-qe-7.5/QEHeat/src/cpv_traj.f90\nq-e-qe-7.5/QEHeat/src/cpv_traj_test.f90\nq-e-qe-7.5/QEHeat/src/ec_functionals.f90\nq-e-qe-7.5/QEHeat/src/hartree_xc_mod.f90\nq-e-qe-7.5/QEHeat/src/init_us_3.f90\nq-e-qe-7.5/QEHeat/src/ionic_mod.f90\nq-e-qe-7.5/QEHeat/src/kohn_sham_mod.f90\nq-e-qe-7.5/QEHeat/src/project.f90\nq-e-qe-7.5/QEHeat/src/scf_result.f90\nq-e-qe-7.5/QEHeat/src/test_h_psi_s_psi_commutator_Hx_psi.f90\nq-e-qe-7.5/QEHeat/src/traj_object.f90\nq-e-qe-7.5/QEHeat/src/zero_mod.f90\nq-e-qe-7.5/README.md\nq-e-qe-7.5/README_GPU.md\nq-e-qe-7.5/TDDFPT/\nq-e-qe-7.5/TDDFPT/.dependencies\nq-e-qe-7.5/TDDFPT/CMakeLists.txt\nq-e-qe-7.5/TDDFPT/ColorCalculator/\nq-e-qe-7.5/TDDFPT/ColorCalculator/CIEx\nq-e-qe-7.5/TDDFPT/ColorCalculator/CIEy\nq-e-qe-7.5/TDDFPT/ColorCalculator/CIEz\nq-e-qe-7.5/TDDFPT/ColorCalculator/ColorCalculator5.jar\nq-e-qe-7.5/TDDFPT/ColorCalculator/D65.light\nq-e-qe-7.5/TDDFPT/ColorCalculator/Install\nq-e-qe-7.5/TDDFPT/ColorCalculator/Makefile\nq-e-qe-7.5/TDDFPT/ColorCalculator/README\nq-e-qe-7.5/TDDFPT/ColorCalculator/colorBlue.dat\nq-e-qe-7.5/TDDFPT/ColorCalculator/pelargonin_inter_sort.dat\nq-e-qe-7.5/TDDFPT/ColorCalculator/pelargonin_no_inter.dat\nq-e-qe-7.5/TDDFPT/ColorCalculator/pelargonin_no_inter_no_sort.dat\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/ColorCalculator.java\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/ColorWindow.java\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/GUITools.java\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/Graph.java\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/GraphFactory.java\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/Manifest.txt\nq-e-qe-7.5/TDDFPT/Doc/\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Davidson.def\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Davidson.html\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Davidson.txt\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Davidson.xml\nq-e-qe-7.5/TDDFPT/Doc/INPUT_EELS.def\nq-e-qe-7.5/TDDFPT/Doc/INPUT_EELS.html\nq-e-qe-7.5/TDDFPT/Doc/INPUT_EELS.txt\nq-e-qe-7.5/TDDFPT/Doc/INPUT_EELS.xml\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Lanczos.def\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Lanczos.html\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Lanczos.txt\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Lanczos.xml\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Magnon.def\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Magnon.html\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Magnon.txt\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Spectrum.def\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Spectrum.html\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Spectrum.txt\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Spectrum.xml\nq-e-qe-7.5/TDDFPT/Doc/Makefile\nq-e-qe-7.5/TDDFPT/Makefile\nq-e-qe-7.5/TDDFPT/README\nq-e-qe-7.5/TDDFPT/examples/\nq-e-qe-7.5/TDDFPT/examples/README\nq-e-qe-7.5/TDDFPT/examples/clean_all\nq-e-qe-7.5/TDDFPT/examples/example01/\nq-e-qe-7.5/TDDFPT/examples/example01/reference/\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example01/run_example\nq-e-qe-7.5/TDDFPT/examples/example02/\nq-e-qe-7.5/TDDFPT/examples/example02/reference/\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.scf.in\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.scf.out\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example02/run_example\nq-e-qe-7.5/TDDFPT/examples/example03/\nq-e-qe-7.5/TDDFPT/examples/example03/reference/\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.scf.in\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.scf.out\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example03/run_example\nq-e-qe-7.5/TDDFPT/examples/example04/\nq-e-qe-7.5/TDDFPT/examples/example04/reference/\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example04/run_example\nq-e-qe-7.5/TDDFPT/examples/example05/\nq-e-qe-7.5/TDDFPT/examples/example05/reference/\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example05/run_example\nq-e-qe-7.5/TDDFPT/examples/example06/\nq-e-qe-7.5/TDDFPT/examples/example06/reference/\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt2.in\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt2.out\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example06/reference/README\nq-e-qe-7.5/TDDFPT/examples/example06/run_example\nq-e-qe-7.5/TDDFPT/examples/example07/\nq-e-qe-7.5/TDDFPT/examples/example07/reference/\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example07/reference/environ.in\nq-e-qe-7.5/TDDFPT/examples/example07/run_example\nq-e-qe-7.5/TDDFPT/examples/example08/\nq-e-qe-7.5/TDDFPT/examples/example08/reference/\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.eigen\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.plot.dat\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example08/run_example\nq-e-qe-7.5/TDDFPT/examples/example09/\nq-e-qe-7.5/TDDFPT/examples/example09/reference/\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.eigen\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.plot.dat\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.scf.in\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.scf.out\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example09/run_example\nq-e-qe-7.5/TDDFPT/examples/example10/\nq-e-qe-7.5/TDDFPT/examples/example10/reference/\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.eigen\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.plot.dat\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example10/run_example\nq-e-qe-7.5/TDDFPT/examples/example11/\nq-e-qe-7.5/TDDFPT/examples/example11/reference/\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.eigen\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.plot.dat\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example11/reference/environ.in\nq-e-qe-7.5/TDDFPT/examples/example11/run_example\nq-e-qe-7.5/TDDFPT/examples/example12/\nq-e-qe-7.5/TDDFPT/examples/example12/reference/\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.eigen\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.plot.dat\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.pp.in\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.pp.out\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.scf.in\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.scf.out\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example12/reference/drho-of-eign-1.cube\nq-e-qe-7.5/TDDFPT/examples/example12/run_example\nq-e-qe-7.5/TDDFPT/examples/example13/\nq-e-qe-7.5/TDDFPT/examples/example13/reference/\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.scf.in\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.scf.out\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example13/run_example\nq-e-qe-7.5/TDDFPT/examples/example14/\nq-e-qe-7.5/TDDFPT/examples/example14/reference/\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.scf.in\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.scf.out\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example14/run_example\nq-e-qe-7.5/TDDFPT/examples/example15/\nq-e-qe-7.5/TDDFPT/examples/example15/reference/\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.scf.in\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.scf.out\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example15/run_example\nq-e-qe-7.5/TDDFPT/examples/example16/\nq-e-qe-7.5/TDDFPT/examples/example16/reference/\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.scf.in\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.scf.out\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example16/run_example\nq-e-qe-7.5/TDDFPT/examples/example17/\nq-e-qe-7.5/TDDFPT/examples/example17/reference/\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.scf.in\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.scf.out\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example17/run_example\nq-e-qe-7.5/TDDFPT/examples/example18/\nq-e-qe-7.5/TDDFPT/examples/example18/reference/\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.scf.in\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.scf.out\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example18/run_example\nq-e-qe-7.5/TDDFPT/examples/example19/\nq-e-qe-7.5/TDDFPT/examples/example19/reference/\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.scf.in\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.scf.out\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example19/run_example\nq-e-qe-7.5/TDDFPT/examples/run_all_examples\nq-e-qe-7.5/TDDFPT/src/\nq-e-qe-7.5/TDDFPT/src/Makefile\nq-e-qe-7.5/TDDFPT/src/bcast_lr_input.f90\nq-e-qe-7.5/TDDFPT/src/dveqpsi_us.f90\nq-e-qe-7.5/TDDFPT/src/dveqpsi_us_only.f90\nq-e-qe-7.5/TDDFPT/src/environ_td_module.f90\nq-e-qe-7.5/TDDFPT/src/linear_solvers.f90\nq-e-qe-7.5/TDDFPT/src/lr_Opsi_magnons.f90\nq-e-qe-7.5/TDDFPT/src/lr_addus_dvpsi.f90\nq-e-qe-7.5/TDDFPT/src/lr_alloc_init.f90\nq-e-qe-7.5/TDDFPT/src/lr_apply_liouvillian.f90\nq-e-qe-7.5/TDDFPT/src/lr_apply_liouvillian_eels.f90\nq-e-qe-7.5/TDDFPT/src/lr_apply_liouvillian_magnons.f90\nq-e-qe-7.5/TDDFPT/src/lr_calc_dens.f90\nq-e-qe-7.5/TDDFPT/src/lr_calc_dens_eels.f90\nq-e-qe-7.5/TDDFPT/src/lr_calc_dens_eels_nc.f90\nq-e-qe-7.5/TDDFPT/src/lr_calc_dens_magnons.f90\nq-e-qe-7.5/TDDFPT/src/lr_charg_resp.f90\nq-e-qe-7.5/TDDFPT/src/lr_compute_intq.f90\nq-e-qe-7.5/TDDFPT/src/lr_dav_main.f90\nq-e-qe-7.5/TDDFPT/src/lr_dav_routines.f90\nq-e-qe-7.5/TDDFPT/src/lr_dav_variables.f90\nq-e-qe-7.5/TDDFPT/src/lr_dealloc.f90\nq-e-qe-7.5/TDDFPT/src/lr_dv_setup.f90\nq-e-qe-7.5/TDDFPT/src/lr_dvpsi_e.f90\nq-e-qe-7.5/TDDFPT/src/lr_dvpsi_eels.f90\nq-e-qe-7.5/TDDFPT/src/lr_dvpsi_magnons.f90\nq-e-qe-7.5/TDDFPT/src/lr_eels_main.f90\nq-e-qe-7.5/TDDFPT/src/lr_exx_kernel.f90\nq-e-qe-7.5/TDDFPT/src/lr_init_nfo.f90\nq-e-qe-7.5/TDDFPT/src/lr_lanczos.f90\nq-e-qe-7.5/TDDFPT/src/lr_magnons_main.f90\nq-e-qe-7.5/TDDFPT/src/lr_magnons_routines.f90\nq-e-qe-7.5/TDDFPT/src/lr_main.f90\nq-e-qe-7.5/TDDFPT/src/lr_mix_pot.f90\nq-e-qe-7.5/TDDFPT/src/lr_normalise.f90\nq-e-qe-7.5/TDDFPT/src/lr_ortho.f90\nq-e-qe-7.5/TDDFPT/src/lr_psym_eels.f90\nq-e-qe-7.5/TDDFPT/src/lr_read_d0psi.f90\nq-e-qe-7.5/TDDFPT/src/lr_read_wf.f90\nq-e-qe-7.5/TDDFPT/src/lr_readin.f90\nq-e-qe-7.5/TDDFPT/src/lr_restart.f90\nq-e-qe-7.5/TDDFPT/src/lr_run_nscf.f90\nq-e-qe-7.5/TDDFPT/src/lr_set_boxes_density.f90\nq-e-qe-7.5/TDDFPT/src/lr_set_intq_nc.f90\nq-e-qe-7.5/TDDFPT/src/lr_setup_nscf.f90\nq-e-qe-7.5/TDDFPT/src/lr_smallgq.f90\nq-e-qe-7.5/TDDFPT/src/lr_solve_e.f90\nq-e-qe-7.5/TDDFPT/src/lr_sternheimer.f90\nq-e-qe-7.5/TDDFPT/src/lr_summary.f90\nq-e-qe-7.5/TDDFPT/src/lr_sym_eels.f90\nq-e-qe-7.5/TDDFPT/src/lr_test_restart.f90\nq-e-qe-7.5/TDDFPT/src/lr_transform_intq_nc.f90\nq-e-qe-7.5/TDDFPT/src/lr_transform_intq_so.f90\nq-e-qe-7.5/TDDFPT/src/lr_us.f90\nq-e-qe-7.5/TDDFPT/src/lr_variables.f90\nq-e-qe-7.5/TDDFPT/src/lr_write_restart.f90\nq-e-qe-7.5/TDDFPT/src/orthogonalize_omega.f90\nq-e-qe-7.5/TDDFPT/src/paw_add_symmetry.f90\nq-e-qe-7.5/TDDFPT/src/plugin_tddfpt_potential.f90\nq-e-qe-7.5/TDDFPT/src/print_clock_lr.f90\nq-e-qe-7.5/TDDFPT/src/sd0psi.f90\nq-e-qe-7.5/TDDFPT/src/stop_lr.f90\nq-e-qe-7.5/TDDFPT/src/turbo_spectrum.f90\nq-e-qe-7.5/UtilXlib/\nq-e-qe-7.5/UtilXlib/CMakeLists.txt\nq-e-qe-7.5/UtilXlib/Makefile\nq-e-qe-7.5/UtilXlib/Makefile.test\nq-e-qe-7.5/UtilXlib/README.md\nq-e-qe-7.5/UtilXlib/c_mkdir.c\nq-e-qe-7.5/UtilXlib/clib_wrappers.f90\nq-e-qe-7.5/UtilXlib/clocks_handler.f90\nq-e-qe-7.5/UtilXlib/copy.c\nq-e-qe-7.5/UtilXlib/cptimer.c\nq-e-qe-7.5/UtilXlib/data_buffer.f90\nq-e-qe-7.5/UtilXlib/device_helper.f90\nq-e-qe-7.5/UtilXlib/divide.f90\nq-e-qe-7.5/UtilXlib/error_handler.f90\nq-e-qe-7.5/UtilXlib/eval_infix.c\nq-e-qe-7.5/UtilXlib/export_gstart_2_solvers.f90\nq-e-qe-7.5/UtilXlib/find_free_unit.f90\nq-e-qe-7.5/UtilXlib/fletcher32.c\nq-e-qe-7.5/UtilXlib/fletcher32_mod.f90\nq-e-qe-7.5/UtilXlib/hash.f90\nq-e-qe-7.5/UtilXlib/md5.c\nq-e-qe-7.5/UtilXlib/md5.h\nq-e-qe-7.5/UtilXlib/md5_from_file.c\nq-e-qe-7.5/UtilXlib/mem_counter.f90\nq-e-qe-7.5/UtilXlib/memstat.c\nq-e-qe-7.5/UtilXlib/memusage.c\nq-e-qe-7.5/UtilXlib/mp.f90\nq-e-qe-7.5/UtilXlib/mp_bands_util.f90\nq-e-qe-7.5/UtilXlib/mp_base.f90\nq-e-qe-7.5/UtilXlib/mp_base_gpu.f90\nq-e-qe-7.5/UtilXlib/nvtx_wrapper.f90\nq-e-qe-7.5/UtilXlib/parallel_include.f90\nq-e-qe-7.5/UtilXlib/print_mem.f90\nq-e-qe-7.5/UtilXlib/ptrace.c\nq-e-qe-7.5/UtilXlib/set_mpi_comm_4_solvers.f90\nq-e-qe-7.5/UtilXlib/tests/\nq-e-qe-7.5/UtilXlib/tests/Makefile\nq-e-qe-7.5/UtilXlib/tests/README.md\nq-e-qe-7.5/UtilXlib/tests/compile_and_run_tests.sh\nq-e-qe-7.5/UtilXlib/tests/gen_tests.py\nq-e-qe-7.5/UtilXlib/tests/mp_world.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_allgatherv_type_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_alltoall.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_alltoall_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_c4d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_c5d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_c6d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_i1.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_i1_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_i4d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_im.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_im_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_it.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_it_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_iv.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_iv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_iv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_iv_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_lv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_lv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_r4d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_r5d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_rv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_rv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_circular_shift_left_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_count_nodes.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_gather_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_gatherv_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_gatherv_type_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_get_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_max_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_max_iv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_max_iv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_max_rv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_max_rv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_min_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_min_iv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_min_iv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_min_rv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_min_rv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_put_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_root_sum_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_sum_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_sum_iv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_sum_iv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_sum_rv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_sum_rv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_offload_macros.f90\nq-e-qe-7.5/UtilXlib/tests/tester.f90\nq-e-qe-7.5/UtilXlib/tests/utils.f90\nq-e-qe-7.5/UtilXlib/thread_util.f90\nq-e-qe-7.5/UtilXlib/util_param.f90\nq-e-qe-7.5/XClib/\nq-e-qe-7.5/XClib/CMakeLists.txt\nq-e-qe-7.5/XClib/Ford/\nq-e-qe-7.5/XClib/Ford/Ford.md\nq-e-qe-7.5/XClib/Ford/pagedir/\nq-e-qe-7.5/XClib/Ford/pagedir/index.md\nq-e-qe-7.5/XClib/Makefile\nq-e-qe-7.5/XClib/README.BEEF\nq-e-qe-7.5/XClib/README.TEST\nq-e-qe-7.5/XClib/beefleg.h\nq-e-qe-7.5/XClib/beefun.c\nq-e-qe-7.5/XClib/dft_setting_params.f90\nq-e-qe-7.5/XClib/dft_setting_routines.f90\nq-e-qe-7.5/XClib/pbecor.c\nq-e-qe-7.5/XClib/pbecor.h\nq-e-qe-7.5/XClib/qe_constants.f90\nq-e-qe-7.5/XClib/qe_dft_list.f90\nq-e-qe-7.5/XClib/qe_dft_refs.f90\nq-e-qe-7.5/XClib/qe_drivers_d_gga.f90\nq-e-qe-7.5/XClib/qe_drivers_d_lda_lsda.f90\nq-e-qe-7.5/XClib/qe_drivers_gga.f90\nq-e-qe-7.5/XClib/qe_drivers_lda_lsda.f90\nq-e-qe-7.5/XClib/qe_drivers_mgga.f90\nq-e-qe-7.5/XClib/qe_funct_corr_gga.f90\nq-e-qe-7.5/XClib/qe_funct_corr_lda_lsda.f90\nq-e-qe-7.5/XClib/qe_funct_exch_gga.f90\nq-e-qe-7.5/XClib/qe_funct_exch_lda_lsda.f90\nq-e-qe-7.5/XClib/qe_funct_mgga.f90\nq-e-qe-7.5/XClib/qe_kind.f90\nq-e-qe-7.5/XClib/test_input_files/\nq-e-qe-7.5/XClib/test_input_files/all_shorts.xml\nq-e-qe-7.5/XClib/test_input_files/all_terms.xml\nq-e-qe-7.5/XClib/test_input_files/exe_test.in\nq-e-qe-7.5/XClib/test_input_files/gen_test.in\nq-e-qe-7.5/XClib/test_input_files/test_all_shorts.in\nq-e-qe-7.5/XClib/test_input_files/test_all_terms.in\nq-e-qe-7.5/XClib/xc_beef_interface.f90\nq-e-qe-7.5/XClib/xc_infos.f90\nq-e-qe-7.5/XClib/xc_lib.f90\nq-e-qe-7.5/XClib/xc_wrapper_d_gga.f90\nq-e-qe-7.5/XClib/xc_wrapper_d_lda_lsda.f90\nq-e-qe-7.5/XClib/xc_wrapper_gga.f90\nq-e-qe-7.5/XClib/xc_wrapper_lda_lsda.f90\nq-e-qe-7.5/XClib/xc_wrapper_mgga.f90\nq-e-qe-7.5/XClib/xclib_error.f90\nq-e-qe-7.5/XClib/xclib_test.f90\nq-e-qe-7.5/XClib/xclib_utils_and_para.f90\nq-e-qe-7.5/XSpectra/\nq-e-qe-7.5/XSpectra/CMakeLists.txt\nq-e-qe-7.5/XSpectra/Doc/\nq-e-qe-7.5/XSpectra/Doc/INPUT_MOLECULARNEXAFS\nq-e-qe-7.5/XSpectra/Doc/INPUT_SPECTRA_CORRECTION\nq-e-qe-7.5/XSpectra/Doc/INPUT_SPECTRA_MANIPULATION\nq-e-qe-7.5/XSpectra/Doc/INPUT_XSPECTRA\nq-e-qe-7.5/XSpectra/Makefile\nq-e-qe-7.5/XSpectra/README\nq-e-qe-7.5/XSpectra/examples/\nq-e-qe-7.5/XSpectra/examples/pseudo/\nq-e-qe-7.5/XSpectra/examples/pseudo/C_PBE_TM_2pj.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/Ch_PBE_TM_2pj.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/Cu_US_PBE_3pj_lowE.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/Cu_halfh_US_PBE_3pj.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/Ni_PBE_TM_2pj.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/O_PBE_TM.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/O_PBE_USPP.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/Si_PBE_USPP.UPF\nq-e-qe-7.5/XSpectra/examples/reference/\nq-e-qe-7.5/XSpectra/examples/reference/C.wfc\nq-e-qe-7.5/XSpectra/examples/reference/Cu.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/Cu.wfc\nq-e-qe-7.5/XSpectra/examples/reference/Cu_halfh.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu_halfh.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/Cu_halfh_xspectra.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu_halfh_xspectra.out\nq-e-qe-7.5/XSpectra/examples/reference/Cu_halfh_xspectra_xonlyplot.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xanes_L2.dat\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xanes_L2.sav\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xanes_L2_lplus.dat\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xanes_L2_lplus.sav\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xspectra.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xspectra.out\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xspectra_lplus.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xspectra_lplus.out\nq-e-qe-7.5/XSpectra/examples/reference/Cuhalfh_xanes_L2.dat\nq-e-qe-7.5/XSpectra/examples/reference/Cuhalfh_xanes_L2.sav\nq-e-qe-7.5/XSpectra/examples/reference/Cuhalfh_xanes_L2_xonlyplot.dat\nq-e-qe-7.5/XSpectra/examples/reference/Ni.wfc\nq-e-qe-7.5/XSpectra/examples/reference/NiO.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/NiO.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip.dat\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip.in\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip.out\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip.sav\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip_replot.dat\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip_replot.in\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip_replot.out\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_qua.dat\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_qua.in\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_qua.out\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_qua.sav\nq-e-qe-7.5/XSpectra/examples/reference/Si.wfc\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_c.dat\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_c.in\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_c.out\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_c.sav\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_plane.dat\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_plane.in\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_plane.out\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_plane.sav\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.in\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.out\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.sav\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.dat\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.in\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.out\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.sav\nq-e-qe-7.5/XSpectra/examples/reference/diamond.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/diamond.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra.dat\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra.in\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra.out\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra.sav\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra_fermi.in\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra_fermi.out\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra_replot.dat\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra_replot.in\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra_replot.out\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra.dat\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra.in\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra.out\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra.sav\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra_fermi.in\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra_fermi.out\nq-e-qe-7.5/XSpectra/examples/run_example_Cu_L23\nq-e-qe-7.5/XSpectra/examples/run_example_NiO\nq-e-qe-7.5/XSpectra/examples/run_example_SiO2_USPP\nq-e-qe-7.5/XSpectra/examples/run_example_diamond\nq-e-qe-7.5/XSpectra/src/\nq-e-qe-7.5/XSpectra/src/Makefile\nq-e-qe-7.5/XSpectra/src/assign_paw_radii_to_species.f90\nq-e-qe-7.5/XSpectra/src/banner_xspectra.f90\nq-e-qe-7.5/XSpectra/src/check_orthogonality_k_epsilon.f90\nq-e-qe-7.5/XSpectra/src/gaunt_mod.f90\nq-e-qe-7.5/XSpectra/src/init_gipaw_1.f90\nq-e-qe-7.5/XSpectra/src/init_gipaw_2.f90\nq-e-qe-7.5/XSpectra/src/io_routines.f90\nq-e-qe-7.5/XSpectra/src/ipoolscatter.f90\nq-e-qe-7.5/XSpectra/src/lanczos.f90\nq-e-qe-7.5/XSpectra/src/lr_sm1_psi.f90\nq-e-qe-7.5/XSpectra/src/molecularnexafs.f90\nq-e-qe-7.5/XSpectra/src/mygetK.f90\nq-e-qe-7.5/XSpectra/src/paw_gipaw.f90\nq-e-qe-7.5/XSpectra/src/plot_xanes_cross_sections.f90\nq-e-qe-7.5/XSpectra/src/radin_mod.f90\nq-e-qe-7.5/XSpectra/src/read_input_and_bcast.f90\nq-e-qe-7.5/XSpectra/src/read_k_points.f90\nq-e-qe-7.5/XSpectra/src/reset_k_points_and_reinit.f90\nq-e-qe-7.5/XSpectra/src/select_nl_init.f90\nq-e-qe-7.5/XSpectra/src/set_xspectra_namelists_defaults.f90\nq-e-qe-7.5/XSpectra/src/spectra_correction.f90\nq-e-qe-7.5/XSpectra/src/stdout_routines.f90\nq-e-qe-7.5/XSpectra/src/xanes_dipole.f90\nq-e-qe-7.5/XSpectra/src/xanes_dipole_general_edge.f90\nq-e-qe-7.5/XSpectra/src/xanes_quadrupole.f90\nq-e-qe-7.5/XSpectra/src/xspectra.f90\nq-e-qe-7.5/XSpectra/src/xspectra_mod.f90\nq-e-qe-7.5/XSpectra/src/xspectra_utils.f90\nq-e-qe-7.5/XSpectra/tools/\nq-e-qe-7.5/XSpectra/tools/upf2plotcore.sh\nq-e-qe-7.5/archive/\nq-e-qe-7.5/archive/.gitignore\nq-e-qe-7.5/archive/README.md\nq-e-qe-7.5/atomic/\nq-e-qe-7.5/atomic/CMakeLists.txt\nq-e-qe-7.5/atomic/Doc/\nq-e-qe-7.5/atomic/Doc/ChangeLog\nq-e-qe-7.5/atomic/Doc/INPUT_LD1.def\nq-e-qe-7.5/atomic/Doc/INPUT_LD1.html\nq-e-qe-7.5/atomic/Doc/INPUT_LD1.txt\nq-e-qe-7.5/atomic/Doc/Makefile\nq-e-qe-7.5/atomic/Doc/pseudo-gen-fig1.pdf\nq-e-qe-7.5/atomic/Doc/pseudo-gen-fig2.pdf\nq-e-qe-7.5/atomic/Doc/pseudo-gen-fig3.pdf\nq-e-qe-7.5/atomic/Doc/pseudo-gen-fig4.pdf\nq-e-qe-7.5/atomic/Doc/pseudo-gen.pdf\nq-e-qe-7.5/atomic/Doc/pseudo-gen.tex\nq-e-qe-7.5/atomic/KLI.md\nq-e-qe-7.5/atomic/Makefile\nq-e-qe-7.5/atomic/README\nq-e-qe-7.5/atomic/examples/\nq-e-qe-7.5/atomic/examples/all-electron/\nq-e-qe-7.5/atomic/examples/all-electron/AAREADME\nq-e-qe-7.5/atomic/examples/all-electron/ar.in\nq-e-qe-7.5/atomic/examples/all-electron/c_oep.in\nq-e-qe-7.5/atomic/examples/all-electron/clean.sh\nq-e-qe-7.5/atomic/examples/all-electron/cu.in\nq-e-qe-7.5/atomic/examples/all-electron/cu1.in\nq-e-qe-7.5/atomic/examples/all-electron/f.in\nq-e-qe-7.5/atomic/examples/all-electron/fe.in\nq-e-qe-7.5/atomic/examples/all-electron/h.in\nq-e-qe-7.5/atomic/examples/all-electron/h.oep.in\nq-e-qe-7.5/atomic/examples/all-electron/he.in\nq-e-qe-7.5/atomic/examples/all-electron/he.oep.in\nq-e-qe-7.5/atomic/examples/all-electron/mg.in\nq-e-qe-7.5/atomic/examples/all-electron/ne.kli.in\nq-e-qe-7.5/atomic/examples/all-electron/ne_oep.in\nq-e-qe-7.5/atomic/examples/all-electron/pt.in\nq-e-qe-7.5/atomic/examples/all-electron/reference/\nq-e-qe-7.5/atomic/examples/all-electron/reference/ar.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/c_oep.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/cu.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/cu1.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/f.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/fe.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/h.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/he.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/mg.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/ne_oep.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/pt.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/u.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/u1.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/w.out\nq-e-qe-7.5/atomic/examples/all-electron/test.job\nq-e-qe-7.5/atomic/examples/all-electron/u.in\nq-e-qe-7.5/atomic/examples/all-electron/u1.in\nq-e-qe-7.5/atomic/examples/all-electron/w.in\nq-e-qe-7.5/atomic/examples/make_clean\nq-e-qe-7.5/atomic/examples/paw_examples/\nq-e-qe-7.5/atomic/examples/paw_examples/README\nq-e-qe-7.5/atomic/examples/paw_examples/clean\nq-e-qe-7.5/atomic/examples/paw_examples/input/\nq-e-qe-7.5/atomic/examples/paw_examples/input/Be.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/C.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Cl.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Cu.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/F.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Fe.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Ge.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/H.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Li-1s.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Li.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/N.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Na-2s2p.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/O-lda.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/O.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/P.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Pd.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/S.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Si.in\nq-e-qe-7.5/atomic/examples/paw_examples/oxygen/\nq-e-qe-7.5/atomic/examples/paw_examples/oxygen/gen.in\nq-e-qe-7.5/atomic/examples/paw_examples/oxygen/spin.in\nq-e-qe-7.5/atomic/examples/paw_examples/oxygen/test.in\nq-e-qe-7.5/atomic/examples/paw_examples/plot_dlog\nq-e-qe-7.5/atomic/examples/paw_examples/reference/\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Be-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Be.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/C-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/C.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Cl-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Cl.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Cu-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Cu.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/F-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/F.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Fe-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Fe.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Ge-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Ge.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/H-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/H.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Li-1s-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Li-1s.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Li-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Li.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/N-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/N.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Na-2s2p-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Na-2s2p.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/O-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/O-lda-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/O-lda.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/O.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/P-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/P.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Pd-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Pd.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/S-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/S.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Si-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Si.out\nq-e-qe-7.5/atomic/examples/paw_examples/test\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/AAREADME\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/Si.pz-vbc.UPF\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/clean.sh\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/reference/\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/reference/Si.LDA.0.5.UPF\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/reference/si.lda.0.5.out\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/si.lda.0.5.in\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/test.job\nq-e-qe-7.5/atomic/examples/pseudo-gen/\nq-e-qe-7.5/atomic/examples/pseudo-gen/AAREADME\nq-e-qe-7.5/atomic/examples/pseudo-gen/al.in\nq-e-qe-7.5/atomic/examples/pseudo-gen/as.in\nq-e-qe-7.5/atomic/examples/pseudo-gen/clean.sh\nq-e-qe-7.5/atomic/examples/pseudo-gen/o.in\nq-e-qe-7.5/atomic/examples/pseudo-gen/pt.in\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/Al.rrkj3\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/Asrel.RRKJ3.UPF\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/OPBE.RRKJ3\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/Ptrel.RRKJ3.UPF\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/SiPBE_nc\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/al.out\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/as.out\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/o.out\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/pt.out\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/si_nc.out\nq-e-qe-7.5/atomic/examples/pseudo-gen/si_nc.in\nq-e-qe-7.5/atomic/examples/pseudo-gen/test.job\nq-e-qe-7.5/atomic/examples/pseudo-test/\nq-e-qe-7.5/atomic/examples/pseudo-test/AAREADME\nq-e-qe-7.5/atomic/examples/pseudo-test/Al.rrkj3\nq-e-qe-7.5/atomic/examples/pseudo-test/Asrel.RRKJ3.UPF\nq-e-qe-7.5/atomic/examples/pseudo-test/Garel.ld1\nq-e-qe-7.5/atomic/examples/pseudo-test/NiUSPBE.RRKJ3\nq-e-qe-7.5/atomic/examples/pseudo-test/OPBE.RRKJ3.UPF\nq-e-qe-7.5/atomic/examples/pseudo-test/RhUSPBEnlcc.RRKJ3.UPF\nq-e-qe-7.5/atomic/examples/pseudo-test/S.gon\nq-e-qe-7.5/atomic/examples/pseudo-test/al.in\nq-e-qe-7.5/atomic/examples/pseudo-test/as.in\nq-e-qe-7.5/atomic/examples/pseudo-test/clean.sh\nq-e-qe-7.5/atomic/examples/pseudo-test/ga.in\nq-e-qe-7.5/atomic/examples/pseudo-test/ni.in\nq-e-qe-7.5/atomic/examples/pseudo-test/o.in\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/al.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/as.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/ga.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/ni.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/o.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/rh.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/s.out\nq-e-qe-7.5/atomic/examples/pseudo-test/rh.in\nq-e-qe-7.5/atomic/examples/pseudo-test/s.in\nq-e-qe-7.5/atomic/examples/pseudo-test/test.job\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/AAREADME\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ar.sla-gl.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ar.sla-noc.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ar.sla-pz.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/clean.sh\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/kr.sla-gl.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/kr.sla-noc.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/kr.sla-pz.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ne.sla-gl.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ne.sla-noc.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ne.sla-pz.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-gl.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-gl.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-noc.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-noc.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-pz.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-pz.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/compare.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-gl.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-gl.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-noc.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-noc.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-pz.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-pz.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-gl.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-gl.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-noc.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-noc.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-pz.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-pz.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/test.job\nq-e-qe-7.5/atomic/pseudo_library/\nq-e-qe-7.5/atomic/pseudo_library/AAAREADME\nq-e-qe-7.5/atomic/pseudo_library/LDA/\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Ag.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Al.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/As.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Au.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/B.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Br.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/C.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Cd.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Cl.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/F.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/H.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Hg.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Ir.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/N.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/O.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/O.rel-pz-rrkjus_h.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Os.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/P.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Pb.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Pd.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Rh.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Ru.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/S.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Sb.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Se.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Si.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/clean\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/make_ps\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Ag.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Al.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/As.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Au.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Au.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/B.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Br.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/C.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Cd.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Cd.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Cl.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/F.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/H.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Hg.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Ir.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/N.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/O.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/O.pz-rrkjus_h.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Os.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/P.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Pb.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Pd.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Rh.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Ru.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/S.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Sb.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Se.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Si.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/clean\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/make_ps\nq-e-qe-7.5/atomic/pseudo_library/PBE/\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Ag.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Al.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/As.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Au.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/B.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Br.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/C.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Cd.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Cl.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/F.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/H.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Hg.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Ir.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/N.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/O.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/O.rel-pbe-rrkjus_h.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Os.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/P.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Pb.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Pd.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Rh.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Ru.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/S.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Sb.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Se.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Si.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/clean\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/make_ps\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Ag.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Al.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/As.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Au.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Au.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/B.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Br.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/C.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Cd.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Cd.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Cl.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/F.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/H.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Hg.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Ir.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Mg.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/N.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/O.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/O.pbe-rrkjus_h.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Os.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/P.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Pb.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Pd.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Rh.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Ru.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/S.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Sb.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Se.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Si.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Sn.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/clean\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/make_ps\nq-e-qe-7.5/atomic/pseudo_library/make_clean\nq-e-qe-7.5/atomic/pseudo_library/make_ps\nq-e-qe-7.5/atomic/src/\nq-e-qe-7.5/atomic/src/Makefile\nq-e-qe-7.5/atomic/src/add_exchange.f90\nq-e-qe-7.5/atomic/src/all_electron.f90\nq-e-qe-7.5/atomic/src/ascheq.f90\nq-e-qe-7.5/atomic/src/ascheqps.f90\nq-e-qe-7.5/atomic/src/ascheqps_drv.f90\nq-e-qe-7.5/atomic/src/atomic_paw.f90\nq-e-qe-7.5/atomic/src/c6_dft.f90\nq-e-qe-7.5/atomic/src/c6_tfvw.f90\nq-e-qe-7.5/atomic/src/calculate_gipaw_orbitals.f90\nq-e-qe-7.5/atomic/src/cfdsol.f90\nq-e-qe-7.5/atomic/src/chargeps.f90\nq-e-qe-7.5/atomic/src/compute_chi.f90\nq-e-qe-7.5/atomic/src/compute_chi_tm.f90\nq-e-qe-7.5/atomic/src/compute_phi.f90\nq-e-qe-7.5/atomic/src/compute_phi_tm.f90\nq-e-qe-7.5/atomic/src/compute_phius.f90\nq-e-qe-7.5/atomic/src/compute_potps.f90\nq-e-qe-7.5/atomic/src/compute_potps_new.f90\nq-e-qe-7.5/atomic/src/compute_q_3bess.f90\nq-e-qe-7.5/atomic/src/compute_relpert.f90\nq-e-qe-7.5/atomic/src/compute_solution.f90\nq-e-qe-7.5/atomic/src/default_conf.f90\nq-e-qe-7.5/atomic/src/descreening.f90\nq-e-qe-7.5/atomic/src/dfx_new.f90\nq-e-qe-7.5/atomic/src/dir_outward.f90\nq-e-qe-7.5/atomic/src/dirsol.f90\nq-e-qe-7.5/atomic/src/dmixp.f90\nq-e-qe-7.5/atomic/src/drho0ofvx.f90\nq-e-qe-7.5/atomic/src/drhoofv.f90\nq-e-qe-7.5/atomic/src/dvex.f90\nq-e-qe-7.5/atomic/src/el_config.f90\nq-e-qe-7.5/atomic/src/elsd.f90\nq-e-qe-7.5/atomic/src/elsd_highv.f90\nq-e-qe-7.5/atomic/src/elsdps.f90\nq-e-qe-7.5/atomic/src/elsdps_paw.f90\nq-e-qe-7.5/atomic/src/esic.f90\nq-e-qe-7.5/atomic/src/export_upf.f90\nq-e-qe-7.5/atomic/src/find_qi.f90\nq-e-qe-7.5/atomic/src/gener_pseudo.f90\nq-e-qe-7.5/atomic/src/grad_log.f90\nq-e-qe-7.5/atomic/src/green.f90\nq-e-qe-7.5/atomic/src/import_upf.f90\nq-e-qe-7.5/atomic/src/int_0_inf_dr.f90\nq-e-qe-7.5/atomic/src/integrate_inward.f90\nq-e-qe-7.5/atomic/src/integrate_outward.f90\nq-e-qe-7.5/atomic/src/intref.f90\nq-e-qe-7.5/atomic/src/inward.f90\nq-e-qe-7.5/atomic/src/kin_e_density.f90\nq-e-qe-7.5/atomic/src/kli.f90\nq-e-qe-7.5/atomic/src/ld1.f90\nq-e-qe-7.5/atomic/src/ld1_readin.f90\nq-e-qe-7.5/atomic/src/ld1_setup.f90\nq-e-qe-7.5/atomic/src/ld1_writeout.f90\nq-e-qe-7.5/atomic/src/ld1inc.f90\nq-e-qe-7.5/atomic/src/lderiv.f90\nq-e-qe-7.5/atomic/src/lderivps.f90\nq-e-qe-7.5/atomic/src/lschps.f90\nq-e-qe-7.5/atomic/src/new_potential.f90\nq-e-qe-7.5/atomic/src/newd_at.f90\nq-e-qe-7.5/atomic/src/nodenum.f90\nq-e-qe-7.5/atomic/src/normalize.f90\nq-e-qe-7.5/atomic/src/occ_spin.f90\nq-e-qe-7.5/atomic/src/outward.f90\nq-e-qe-7.5/atomic/src/parameters.f90\nq-e-qe-7.5/atomic/src/partial_wave_expansion.f90\nq-e-qe-7.5/atomic/src/paw_type.f90\nq-e-qe-7.5/atomic/src/pseudo_q.f90\nq-e-qe-7.5/atomic/src/pseudovloc.f90\nq-e-qe-7.5/atomic/src/read_pseudo_ncpp.f90\nq-e-qe-7.5/atomic/src/read_pseudo_rrkj3.f90\nq-e-qe-7.5/atomic/src/run_lda_half.f90\nq-e-qe-7.5/atomic/src/run_pseudo.f90\nq-e-qe-7.5/atomic/src/run_test.f90\nq-e-qe-7.5/atomic/src/scf.f90\nq-e-qe-7.5/atomic/src/seriebes.f90\nq-e-qe-7.5/atomic/src/set_psi_in.f90\nq-e-qe-7.5/atomic/src/set_rc_rv.f90\nq-e-qe-7.5/atomic/src/set_rho_core.f90\nq-e-qe-7.5/atomic/src/set_sl3.f90\nq-e-qe-7.5/atomic/src/sic_correction.f90\nq-e-qe-7.5/atomic/src/start_potps.f90\nq-e-qe-7.5/atomic/src/start_scheq.f90\nq-e-qe-7.5/atomic/src/starting_potential.f90\nq-e-qe-7.5/atomic/src/test_bessel.f90\nq-e-qe-7.5/atomic/src/trou.f90\nq-e-qe-7.5/atomic/src/utils.f90\nq-e-qe-7.5/atomic/src/v_of_rho_at.f90\nq-e-qe-7.5/atomic/src/vdpack.f90\nq-e-qe-7.5/atomic/src/vext.f90\nq-e-qe-7.5/atomic/src/vpack.f90\nq-e-qe-7.5/atomic/src/vxcgc.f90\nq-e-qe-7.5/atomic/src/write_ae_pseudo.f90\nq-e-qe-7.5/atomic/src/write_cpmd.f90\nq-e-qe-7.5/atomic/src/write_files.f90\nq-e-qe-7.5/atomic/src/write_paw_recon.f90\nq-e-qe-7.5/atomic/src/write_pseudo.f90\nq-e-qe-7.5/atomic/src/write_results.f90\nq-e-qe-7.5/atomic/src/write_resultsps.f90\nq-e-qe-7.5/cmake/\nq-e-qe-7.5/cmake/CMakeGraphVizOptions.cmake\nq-e-qe-7.5/cmake/CrayFortranCompiler.cmake\nq-e-qe-7.5/cmake/FindDeviceXlib.cmake\nq-e-qe-7.5/cmake/FindELPA.cmake\nq-e-qe-7.5/cmake/FindEnviron.cmake\nq-e-qe-7.5/cmake/FindFFTW3.cmake\nq-e-qe-7.5/cmake/FindFoX.cmake\nq-e-qe-7.5/cmake/FindLibxc.cmake\nq-e-qe-7.5/cmake/FindMBD.cmake\nq-e-qe-7.5/cmake/FindSCALAPACK.cmake\nq-e-qe-7.5/cmake/FindVendorFFTW.cmake\nq-e-qe-7.5/cmake/FindWannier90.cmake\nq-e-qe-7.5/cmake/GNUFortranCompiler.cmake\nq-e-qe-7.5/cmake/GitInfo.cmake\nq-e-qe-7.5/cmake/IBMFortranCompiler.cmake\nq-e-qe-7.5/cmake/IntelFortranCompiler.cmake\nq-e-qe-7.5/cmake/NVFortranCompiler.cmake\nq-e-qe-7.5/cmake/UseLATEX.cmake\nq-e-qe-7.5/cmake/flags/\nq-e-qe-7.5/cmake/flags/debug.cmake\nq-e-qe-7.5/cmake/flags/native.cmake\nq-e-qe-7.5/cmake/flags/native.pgi.cmake\nq-e-qe-7.5/cmake/qeConfig.cmake.in\nq-e-qe-7.5/cmake/qeHelpers.cmake\nq-e-qe-7.5/cmake/quantum_espresso.pc.in\nq-e-qe-7.5/cmake/unit_test.cmake\nq-e-qe-7.5/configure\nq-e-qe-7.5/dev-tools/\nq-e-qe-7.5/dev-tools/Makefile\nq-e-qe-7.5/dev-tools/README.helpdoc\nq-e-qe-7.5/dev-tools/README.md\nq-e-qe-7.5/dev-tools/callhtml.pl\nq-e-qe-7.5/dev-tools/calltree.pl\nq-e-qe-7.5/dev-tools/check_gui\nq-e-qe-7.5/dev-tools/device_props.c\nq-e-qe-7.5/dev-tools/diff_gui_help\nq-e-qe-7.5/dev-tools/exported-cmds.pwtk\nq-e-qe-7.5/dev-tools/gen-emacs-mode\nq-e-qe-7.5/dev-tools/gen-emacs-mode.tcl\nq-e-qe-7.5/dev-tools/get_device_props.py\nq-e-qe-7.5/dev-tools/guihelp.xsl\nq-e-qe-7.5/dev-tools/helpdoc\nq-e-qe-7.5/dev-tools/helpdoc.d/\nq-e-qe-7.5/dev-tools/helpdoc.d/auxil.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/gui.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/guihelp.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/helpdoc.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/modules.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/parseTags.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/readSchema.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/robodoc.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/syntax_txt.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/tclIndex\nq-e-qe-7.5/dev-tools/helpdoc.d/tree.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/txt.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/txt_enter.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/txt_leave.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/xml.tcl\nq-e-qe-7.5/dev-tools/helpdoc.schema\nq-e-qe-7.5/dev-tools/input_xx.xsl\nq-e-qe-7.5/dev-tools/mem_analyse.py\nq-e-qe-7.5/dev-tools/mem_counter\nq-e-qe-7.5/dev-tools/mem_counter.py\nq-e-qe-7.5/dev-tools/porting/\nq-e-qe-7.5/dev-tools/porting/becmod.json\nq-e-qe-7.5/dev-tools/porting/derived_type_duplicated_module.jf90\nq-e-qe-7.5/dev-tools/porting/duplicated_module.jf90\nq-e-qe-7.5/dev-tools/porting/gen_derived.py\nq-e-qe-7.5/dev-tools/porting/gen_intrinsic.py\nq-e-qe-7.5/dev-tools/porting/regenerate_duplicated_variables.sh\nq-e-qe-7.5/dev-tools/release-checklist.md\nq-e-qe-7.5/dev-tools/src-normal\nq-e-qe-7.5/dev-tools/src-normal.py\nq-e-qe-7.5/dev-tools/update_gui_help\nq-e-qe-7.5/dft-d3/\nq-e-qe-7.5/dft-d3/CMakeLists.txt\nq-e-qe-7.5/dft-d3/Makefile\nq-e-qe-7.5/dft-d3/README\nq-e-qe-7.5/dft-d3/api.f90\nq-e-qe-7.5/dft-d3/common.f90\nq-e-qe-7.5/dft-d3/core.f90\nq-e-qe-7.5/dft-d3/dftd3_qe.f90\nq-e-qe-7.5/dft-d3/pars.f90\nq-e-qe-7.5/dft-d3/sizes.f90\nq-e-qe-7.5/dft-d3/test_code.f90\nq-e-qe-7.5/environment_variables\nq-e-qe-7.5/external/\nq-e-qe-7.5/external/.gitignore\nq-e-qe-7.5/external/CMakeLists.txt\nq-e-qe-7.5/external/d3q/\nq-e-qe-7.5/external/devxlib/\nq-e-qe-7.5/external/devxlib.cmake\nq-e-qe-7.5/external/environ.cmake\nq-e-qe-7.5/external/fox/\nq-e-qe-7.5/external/fox.cmake\nq-e-qe-7.5/external/initialize_external_repos.sh\nq-e-qe-7.5/external/lapack/\nq-e-qe-7.5/external/mbd/\nq-e-qe-7.5/external/mbd.cmake\nq-e-qe-7.5/external/mbd.make\nq-e-qe-7.5/external/pw2qmcpack/\nq-e-qe-7.5/external/qe-gipaw/\nq-e-qe-7.5/external/submodule_commit_hash_records\nq-e-qe-7.5/external/update_commit_has_records.sh\nq-e-qe-7.5/external/wannier90/\nq-e-qe-7.5/external/wannier90.cmake\nq-e-qe-7.5/include/\nq-e-qe-7.5/include/configure.h.in\nq-e-qe-7.5/include/cpv_device_macros.h\nq-e-qe-7.5/include/defs.h.README\nq-e-qe-7.5/include/qe_version.h\nq-e-qe-7.5/install/\nq-e-qe-7.5/install/README.FX10\nq-e-qe-7.5/install/aclocal.m4\nq-e-qe-7.5/install/addsonpatch.sh\nq-e-qe-7.5/install/addsontool.sh\nq-e-qe-7.5/install/build_fox_with_pgi.sh\nq-e-qe-7.5/install/config.guess\nq-e-qe-7.5/install/config.sub\nq-e-qe-7.5/install/configure\nq-e-qe-7.5/install/configure.ac\nq-e-qe-7.5/install/configure.msg.in\nq-e-qe-7.5/install/extlibs_makefile\nq-e-qe-7.5/install/includedep.sh\nq-e-qe-7.5/install/install-sh\nq-e-qe-7.5/install/install_utils\nq-e-qe-7.5/install/m4/\nq-e-qe-7.5/install/m4/README\nq-e-qe-7.5/install/m4/ax_check_compile_flag.m4\nq-e-qe-7.5/install/m4/x_ac_qe_aix_dflags.m4\nq-e-qe-7.5/install/m4/x_ac_qe_ar.m4\nq-e-qe-7.5/install/m4/x_ac_qe_arch.m4\nq-e-qe-7.5/install/m4/x_ac_qe_blas.m4\nq-e-qe-7.5/install/m4/x_ac_qe_cc.m4\nq-e-qe-7.5/install/m4/x_ac_qe_cpp.m4\nq-e-qe-7.5/install/m4/x_ac_qe_cuda.m4\nq-e-qe-7.5/install/m4/x_ac_qe_default_env.m4\nq-e-qe-7.5/install/m4/x_ac_qe_elpa.m4\nq-e-qe-7.5/install/m4/x_ac_qe_environ.m4\nq-e-qe-7.5/install/m4/x_ac_qe_f90.m4\nq-e-qe-7.5/install/m4/x_ac_qe_f90rule.m4\nq-e-qe-7.5/install/m4/x_ac_qe_fft.m4\nq-e-qe-7.5/install/m4/x_ac_qe_fox.m4\nq-e-qe-7.5/install/m4/x_ac_qe_git.m4\nq-e-qe-7.5/install/m4/x_ac_qe_hdf5.m4\nq-e-qe-7.5/install/m4/x_ac_qe_lapack.m4\nq-e-qe-7.5/install/m4/x_ac_qe_ld.m4\nq-e-qe-7.5/install/m4/x_ac_qe_libxc.m4\nq-e-qe-7.5/install/m4/x_ac_qe_mass.m4\nq-e-qe-7.5/install/m4/x_ac_qe_mpi.m4\nq-e-qe-7.5/install/m4/x_ac_qe_mpif90.m4\nq-e-qe-7.5/install/m4/x_ac_qe_openmp.m4\nq-e-qe-7.5/install/m4/x_ac_qe_plugins.m4\nq-e-qe-7.5/install/m4/x_ac_qe_ranlib.m4\nq-e-qe-7.5/install/m4/x_ac_qe_scalapack.m4\nq-e-qe-7.5/install/m4/x_ac_qe_signal.m4\nq-e-qe-7.5/install/m4/x_ac_qe_wget.m4\nq-e-qe-7.5/install/make.inc.in\nq-e-qe-7.5/install/make_lapack.inc.in\nq-e-qe-7.5/install/make_wannier90.inc.in\nq-e-qe-7.5/install/makedeps.sh\nq-e-qe-7.5/install/moduledep.sh\nq-e-qe-7.5/install/namedep.sh\nq-e-qe-7.5/install/plugins_list\nq-e-qe-7.5/install/plugins_makefile\nq-e-qe-7.5/install/refresh-configure.sh\nq-e-qe-7.5/logo.jpg\nq-e-qe-7.5/pseudo/\nq-e-qe-7.5/pseudo/Au.pz-rrkjus_aewfc.UPF\nq-e-qe-7.5/pseudo/Au_ONCV_PBE_FR_.upf\nq-e-qe-7.5/pseudo/B-PBE.upf\nq-e-qe-7.5/pseudo/C-q4.gth\nq-e-qe-7.5/pseudo/C.UPF\nq-e-qe-7.5/pseudo/C_3.98148.UPF\nq-e-qe-7.5/pseudo/Fe.pz-n-nc.UPF\nq-e-qe-7.5/pseudo/H-q1.gth\nq-e-qe-7.5/pseudo/HUSPBE.RRKJ3\nq-e-qe-7.5/pseudo/H_US.van\nq-e-qe-7.5/pseudo/Mo-PBE.upf\nq-e-qe-7.5/pseudo/N-PBE.upf\nq-e-qe-7.5/pseudo/O-q6.gth\nq-e-qe-7.5/pseudo/O_US.van\nq-e-qe-7.5/pseudo/Rh.pbe-rrkjus_lb.UPF\nq-e-qe-7.5/pseudo/Rhs.pbe-rrkjus_lb.UPF\nq-e-qe-7.5/pseudo/S-PBE.upf\nq-e-qe-7.5/pseudo/Si.bhs\nq-e-qe-7.5/pseudo/Si_r.upf\nq-e-qe-7.5/pseudo/clean_ps\nq-e-qe-7.5/pseudo/pb_s.UPF\nq-e-qe-7.5/test-suite/\nq-e-qe-7.5/test-suite/.gitignore\nq-e-qe-7.5/test-suite/CMakeLists.txt\nq-e-qe-7.5/test-suite/ENVIRONMENT\nq-e-qe-7.5/test-suite/Makefile\nq-e-qe-7.5/test-suite/QEHeat_h2o/\nq-e-qe-7.5/test-suite/QEHeat_h2o/all_currents.in\nq-e-qe-7.5/test-suite/QEHeat_h2o/all_currents_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_h2o/benchmark.out.git.inp=all_currents.in\nq-e-qe-7.5/test-suite/QEHeat_h2o/benchmark.out.git.inp=all_currents_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_h2o/traj/\nq-e-qe-7.5/test-suite/QEHeat_h2o/traj/cp.pos\nq-e-qe-7.5/test-suite/QEHeat_h2o/traj/cp.vel\nq-e-qe-7.5/test-suite/QEHeat_rotation/\nq-e-qe-7.5/test-suite/QEHeat_rotation/all_currents.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/all_currents_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/all_currents_not_rotated.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/all_currents_not_rotated_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_not_rotated.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_not_rotated_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/generate_all_currents.in.sh\nq-e-qe-7.5/test-suite/QEHeat_rotation/inpos\nq-e-qe-7.5/test-suite/QEHeat_rotation/invel\nq-e-qe-7.5/test-suite/QEHeat_rotation/rotate.py\nq-e-qe-7.5/test-suite/QEHeat_rotation/rotate_run.sh\nq-e-qe-7.5/test-suite/QEHeat_rotation/types\nq-e-qe-7.5/test-suite/QEHeat_translation/\nq-e-qe-7.5/test-suite/QEHeat_translation/README\nq-e-qe-7.5/test-suite/QEHeat_translation/benchmark.out.git.inp=input.in\nq-e-qe-7.5/test-suite/QEHeat_translation/benchmark.out.git.inp=input_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_translation/benchmark.out.git.inp=input_ar.in\nq-e-qe-7.5/test-suite/QEHeat_translation/benchmark.out.git.inp=input_ar_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_translation/input.in\nq-e-qe-7.5/test-suite/QEHeat_translation/input_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_translation/input_ar.in\nq-e-qe-7.5/test-suite/QEHeat_translation/input_ar_2pt.in\nq-e-qe-7.5/test-suite/README\nq-e-qe-7.5/test-suite/README_CMake\nq-e-qe-7.5/test-suite/benchmarks/\nq-e-qe-7.5/test-suite/benchmarks/CMakeLists.txt\nq-e-qe-7.5/test-suite/benchmarks/pw/\nq-e-qe-7.5/test-suite/benchmarks/pw/ausurf.in\nq-e-qe-7.5/test-suite/benchmarks/pw/psiwat.in\nq-e-qe-7.5/test-suite/buildbot/\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/buildbot-slave.tac\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/buildbot.tac\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/check_smtp.py\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/environement.txt\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_gcc640_para.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_gcc640_serial.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_gcc730_openmpi1107.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel12_openmpi.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel17_impi.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel17_impi_serial.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel17_mvapich23.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel17_openmpi313.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel18_mvapich23.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel18_openmpi313.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel18_openmpi313_openmp.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_pgi17_mvapich23b.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_pgi18_mvapich23b.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/gcc640_para.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/gcc640_serial.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/intel17_impi.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/master.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/slave.py\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/README.txt\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/README.txt.libxc\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_hdf5.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_libxc.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_openmp.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc102_serial.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc750_openmpi211.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc750_openmpi316-dbg.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_intel19_mvapich23.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_intel20_impi.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_pgi1910_GPU.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_pgi1910_openmpi313.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_pgi2011_GPU.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_pgi2011_openmpi313.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_pgi2107_GPU.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/master.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/worker.py\nq-e-qe-7.5/test-suite/check_pseudo.sh\nq-e-qe-7.5/test-suite/cp_al_edft/\nq-e-qe-7.5/test-suite/cp_al_edft/Al.in\nq-e-qe-7.5/test-suite/cp_al_edft/Al.uspp.in\nq-e-qe-7.5/test-suite/cp_al_edft/benchmark.out.git.inp=Al.in\nq-e-qe-7.5/test-suite/cp_al_edft/benchmark.out.git.inp=Al.uspp.in\nq-e-qe-7.5/test-suite/cp_cluster/\nq-e-qe-7.5/test-suite/cp_cluster/benchmark.out.git.inp=cluster4.in\nq-e-qe-7.5/test-suite/cp_cluster/benchmark.out.git.inp=cluster6.in\nq-e-qe-7.5/test-suite/cp_cluster/cluster4.in\nq-e-qe-7.5/test-suite/cp_cluster/cluster6.in\nq-e-qe-7.5/test-suite/cp_h2o/\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-1.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-2.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-3.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-4.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-5.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-6.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-7.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-cg.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-1.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-2.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-3.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-4.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-5.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-6.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-7.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-cg.in\nq-e-qe-7.5/test-suite/cp_h2o_exx/\nq-e-qe-7.5/test-suite/cp_h2o_exx/benchmark.out.git.inp=h2o-mt-b3lyp-1.in\nq-e-qe-7.5/test-suite/cp_h2o_exx/benchmark.out.git.inp=h2o-mt-exx_fraction.in\nq-e-qe-7.5/test-suite/cp_h2o_exx/h2o-mt-b3lyp-1.in\nq-e-qe-7.5/test-suite/cp_h2o_exx/h2o-mt-exx_fraction.in\nq-e-qe-7.5/test-suite/cp_h2o_scan_libxc/\nq-e-qe-7.5/test-suite/cp_h2o_scan_libxc/benchmark.out.git.inp=nspin1.in\nq-e-qe-7.5/test-suite/cp_h2o_scan_libxc/benchmark.out.git.inp=nspin2.in\nq-e-qe-7.5/test-suite/cp_h2o_scan_libxc/nspin1.in\nq-e-qe-7.5/test-suite/cp_h2o_scan_libxc/nspin2.in\nq-e-qe-7.5/test-suite/cp_h2o_wf/\nq-e-qe-7.5/test-suite/cp_h2o_wf/README\nq-e-qe-7.5/test-suite/cp_h2o_wf/benchmark.out.git.inp=h2o-nspin1.in\nq-e-qe-7.5/test-suite/cp_h2o_wf/benchmark.out.git.inp=h2o-nspin2.in\nq-e-qe-7.5/test-suite/cp_h2o_wf/h2o-nspin1.in\nq-e-qe-7.5/test-suite/cp_h2o_wf/h2o-nspin2.in\nq-e-qe-7.5/test-suite/cp_o2/\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-1.in\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-2.in\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-3.in\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-4.in\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-5.in\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-6.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-1.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-2.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-3.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-4.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-5.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-6.in\nq-e-qe-7.5/test-suite/cp_si/\nq-e-qe-7.5/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-1.in\nq-e-qe-7.5/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-2.in\nq-e-qe-7.5/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-3.in\nq-e-qe-7.5/test-suite/cp_si/si-vbc-lda-1.in\nq-e-qe-7.5/test-suite/cp_si/si-vbc-lda-2.in\nq-e-qe-7.5/test-suite/cp_si/si-vbc-lda-3.in\nq-e-qe-7.5/test-suite/cp_sio2/\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-1.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-2.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-3.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-4.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-cg.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-1.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-2.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-cg.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-lda-1.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-lda-2.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-lda-3.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-lda-4.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-lda-cg.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-pbe-1.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-pbe-2.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-pbe-cg.in\nq-e-qe-7.5/test-suite/ctest_runner.sh\nq-e-qe-7.5/test-suite/epw_2D/\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw3.in.args=10\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw5.in.args=5\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw6.in.args=5\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw8.in.args=5\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=scf.in.args=0\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=scf_epw.in.args=0\nq-e-qe-7.5/test-suite/epw_2D/epw1.in\nq-e-qe-7.5/test-suite/epw_2D/epw2.in\nq-e-qe-7.5/test-suite/epw_2D/epw3.in\nq-e-qe-7.5/test-suite/epw_2D/epw4.in\nq-e-qe-7.5/test-suite/epw_2D/epw5.in\nq-e-qe-7.5/test-suite/epw_2D/epw6.in\nq-e-qe-7.5/test-suite/epw_2D/epw7.in\nq-e-qe-7.5/test-suite/epw_2D/epw8.in\nq-e-qe-7.5/test-suite/epw_2D/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_2D/ph.in\nq-e-qe-7.5/test-suite/epw_2D/pp.in\nq-e-qe-7.5/test-suite/epw_2D/quadrupole.fmt\nq-e-qe-7.5/test-suite/epw_2D/scf.in\nq-e-qe-7.5/test-suite/epw_2D/scf_epw.in\nq-e-qe-7.5/test-suite/epw_base/\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw10.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw11.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw12.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw13.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw9.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_base/epw.in\nq-e-qe-7.5/test-suite/epw_base/epw1.in\nq-e-qe-7.5/test-suite/epw_base/epw10.in\nq-e-qe-7.5/test-suite/epw_base/epw11.in\nq-e-qe-7.5/test-suite/epw_base/epw12.in\nq-e-qe-7.5/test-suite/epw_base/epw13.in\nq-e-qe-7.5/test-suite/epw_base/epw2.in\nq-e-qe-7.5/test-suite/epw_base/epw3.in\nq-e-qe-7.5/test-suite/epw_base/epw4.in\nq-e-qe-7.5/test-suite/epw_base/epw5.in\nq-e-qe-7.5/test-suite/epw_base/epw6.in\nq-e-qe-7.5/test-suite/epw_base/epw9.in\nq-e-qe-7.5/test-suite/epw_base/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_base/path.dat\nq-e-qe-7.5/test-suite/epw_base/ph.in\nq-e-qe-7.5/test-suite/epw_base/pp.in\nq-e-qe-7.5/test-suite/epw_base/scf.in\nq-e-qe-7.5/test-suite/epw_base/scf_epw.in\nq-e-qe-7.5/test-suite/epw_hall/\nq-e-qe-7.5/test-suite/epw_hall/LGXKG4.txt\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=epw5.in.args=5\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=scf.in.args=0\nq-e-qe-7.5/test-suite/epw_hall/epw1.in\nq-e-qe-7.5/test-suite/epw_hall/epw2.in\nq-e-qe-7.5/test-suite/epw_hall/epw3.in\nq-e-qe-7.5/test-suite/epw_hall/epw4.in\nq-e-qe-7.5/test-suite/epw_hall/epw5.in\nq-e-qe-7.5/test-suite/epw_hall/nscf.in\nq-e-qe-7.5/test-suite/epw_hall/ph.in\nq-e-qe-7.5/test-suite/epw_hall/pp.in\nq-e-qe-7.5/test-suite/epw_hall/quadrupole.fmt\nq-e-qe-7.5/test-suite/epw_hall/scf.in\nq-e-qe-7.5/test-suite/epw_metal/\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw5.in.args=10\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw6.in.args=11\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_metal/epw1.in\nq-e-qe-7.5/test-suite/epw_metal/epw2.in\nq-e-qe-7.5/test-suite/epw_metal/epw3.in\nq-e-qe-7.5/test-suite/epw_metal/epw4.in\nq-e-qe-7.5/test-suite/epw_metal/epw5.in\nq-e-qe-7.5/test-suite/epw_metal/epw6.in\nq-e-qe-7.5/test-suite/epw_metal/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_metal/ph.in\nq-e-qe-7.5/test-suite/epw_metal/pp.in\nq-e-qe-7.5/test-suite/epw_metal/save/\nq-e-qe-7.5/test-suite/epw_metal/save/ifc.q2r\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dvscf_q1\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dvscf_q2\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dvscf_q3\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dvscf_q4\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dyn_q1\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dyn_q2\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dyn_q3\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dyn_q4\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/control_ph.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/patterns.1.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/patterns.2.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/patterns.3.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/patterns.4.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/status_run.xml\nq-e-qe-7.5/test-suite/epw_metal/scf.in\nq-e-qe-7.5/test-suite/epw_metal/scf_epw.in\nq-e-qe-7.5/test-suite/epw_mob/\nq-e-qe-7.5/test-suite/epw_mob/LGX.txt\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob/epw1.in\nq-e-qe-7.5/test-suite/epw_mob/epw2.in\nq-e-qe-7.5/test-suite/epw_mob/epw3.in\nq-e-qe-7.5/test-suite/epw_mob/epw4.in\nq-e-qe-7.5/test-suite/epw_mob/epw5.in\nq-e-qe-7.5/test-suite/epw_mob/epw6.in\nq-e-qe-7.5/test-suite/epw_mob/kpt.txt\nq-e-qe-7.5/test-suite/epw_mob/nscf.in\nq-e-qe-7.5/test-suite/epw_mob/ph.in\nq-e-qe-7.5/test-suite/epw_mob/pp.in\nq-e-qe-7.5/test-suite/epw_mob/pp.py\nq-e-qe-7.5/test-suite/epw_mob/q2r.in\nq-e-qe-7.5/test-suite/epw_mob/scf.in\nq-e-qe-7.5/test-suite/epw_mob/si.eig\nq-e-qe-7.5/test-suite/epw_mob_ibte/\nq-e-qe-7.5/test-suite/epw_mob_ibte/LGX.txt\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_ibte/epw1.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/epw2.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/epw3.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/nscf.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/ph.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/pp.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/q2r.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/scf.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/LGX.txt\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw6.in.args=5\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw8.in.args=5\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw9.in.args=5\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw1.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw2.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw3.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw4.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw5.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw6.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw7.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw8.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw9.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/nscf.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/ph.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/pp.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/q2r.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/scf.in\nq-e-qe-7.5/test-suite/epw_mob_polar/\nq-e-qe-7.5/test-suite/epw_mob_polar/Ga-LDA.upf\nq-e-qe-7.5/test-suite/epw_mob_polar/MGA.txt\nq-e-qe-7.5/test-suite/epw_mob_polar/N-LDA.upf\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_polar/epw1.in\nq-e-qe-7.5/test-suite/epw_mob_polar/epw2.in\nq-e-qe-7.5/test-suite/epw_mob_polar/epw3.in\nq-e-qe-7.5/test-suite/epw_mob_polar/nscf.in\nq-e-qe-7.5/test-suite/epw_mob_polar/ph.in\nq-e-qe-7.5/test-suite/epw_mob_polar/pp.in\nq-e-qe-7.5/test-suite/epw_mob_polar/scf.in\nq-e-qe-7.5/test-suite/epw_pl/\nq-e-qe-7.5/test-suite/epw_pl/LGX.txt\nq-e-qe-7.5/test-suite/epw_pl/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_pl/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_pl/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_pl/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_pl/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_pl/epw1.in\nq-e-qe-7.5/test-suite/epw_pl/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_pl/ph.in\nq-e-qe-7.5/test-suite/epw_pl/pp.in\nq-e-qe-7.5/test-suite/epw_pl/qgrid.txt\nq-e-qe-7.5/test-suite/epw_pl/scf.in\nq-e-qe-7.5/test-suite/epw_pl/scf_epw.in\nq-e-qe-7.5/test-suite/epw_plrn/\nq-e-qe-7.5/test-suite/epw_plrn/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_plrn/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_plrn/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_plrn/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_plrn/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_plrn/epw1.in\nq-e-qe-7.5/test-suite/epw_plrn/epw2.in\nq-e-qe-7.5/test-suite/epw_plrn/nscf.in\nq-e-qe-7.5/test-suite/epw_plrn/ph.in\nq-e-qe-7.5/test-suite/epw_plrn/pp.in\nq-e-qe-7.5/test-suite/epw_plrn/scf.in\nq-e-qe-7.5/test-suite/epw_polar/\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_polar/epw1.in\nq-e-qe-7.5/test-suite/epw_polar/epw3.in\nq-e-qe-7.5/test-suite/epw_polar/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_polar/ph.in\nq-e-qe-7.5/test-suite/epw_polar/pp.in\nq-e-qe-7.5/test-suite/epw_polar/scf.in\nq-e-qe-7.5/test-suite/epw_polar/scf_epw.in\nq-e-qe-7.5/test-suite/epw_qdpt/\nq-e-qe-7.5/test-suite/epw_qdpt/LGX.txt\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_qdpt/epw1.in\nq-e-qe-7.5/test-suite/epw_qdpt/epw2.in\nq-e-qe-7.5/test-suite/epw_qdpt/epw2_no_elpa.in\nq-e-qe-7.5/test-suite/epw_qdpt/nscf.in\nq-e-qe-7.5/test-suite/epw_qdpt/ph.in\nq-e-qe-7.5/test-suite/epw_qdpt/pp.in\nq-e-qe-7.5/test-suite/epw_qdpt/pp.py\nq-e-qe-7.5/test-suite/epw_qdpt/q2r.in\nq-e-qe-7.5/test-suite/epw_qdpt/scf.in\nq-e-qe-7.5/test-suite/epw_soc/\nq-e-qe-7.5/test-suite/epw_soc/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_soc/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_soc/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_soc/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_soc/epw1.in\nq-e-qe-7.5/test-suite/epw_soc/epw2.in\nq-e-qe-7.5/test-suite/epw_soc/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_soc/ph.in\nq-e-qe-7.5/test-suite/epw_soc/pp.in\nq-e-qe-7.5/test-suite/epw_soc/save/\nq-e-qe-7.5/test-suite/epw_soc/save/ifc.q2r.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dvscf_q1\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dvscf_q2\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dvscf_q3\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dvscf_q4\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dyn_q1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dyn_q2.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dyn_q3.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dyn_q4.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/control_ph.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/patterns.1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/patterns.2.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/patterns.3.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/patterns.4.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/status_run.xml\nq-e-qe-7.5/test-suite/epw_soc/scf.in\nq-e-qe-7.5/test-suite/epw_soc/scf_epw.in\nq-e-qe-7.5/test-suite/epw_super/\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw8.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=nscf2supercond.in.args=9\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=nscf_outerbands.in.args=1\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_super/epw1.in\nq-e-qe-7.5/test-suite/epw_super/epw2.in\nq-e-qe-7.5/test-suite/epw_super/epw3.in\nq-e-qe-7.5/test-suite/epw_super/epw4.in\nq-e-qe-7.5/test-suite/epw_super/epw5.in\nq-e-qe-7.5/test-suite/epw_super/epw6.in\nq-e-qe-7.5/test-suite/epw_super/epw7.in\nq-e-qe-7.5/test-suite/epw_super/epw8.in\nq-e-qe-7.5/test-suite/epw_super/nscf2supercond.in\nq-e-qe-7.5/test-suite/epw_super/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_super/nscf_outerbands.in\nq-e-qe-7.5/test-suite/epw_super/ph.in\nq-e-qe-7.5/test-suite/epw_super/pp.in\nq-e-qe-7.5/test-suite/epw_super/scf.in\nq-e-qe-7.5/test-suite/epw_super/scf_epw.in\nq-e-qe-7.5/test-suite/epw_tdbe/\nq-e-qe-7.5/test-suite/epw_tdbe/LGX.txt\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_tdbe/epw1.in\nq-e-qe-7.5/test-suite/epw_tdbe/epw2.in\nq-e-qe-7.5/test-suite/epw_tdbe/epw3.in\nq-e-qe-7.5/test-suite/epw_tdbe/nscf.in\nq-e-qe-7.5/test-suite/epw_tdbe/ph.in\nq-e-qe-7.5/test-suite/epw_tdbe/pp.in\nq-e-qe-7.5/test-suite/epw_tdbe/scf.in\nq-e-qe-7.5/test-suite/epw_trev/\nq-e-qe-7.5/test-suite/epw_trev/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_trev/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_trev/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_trev/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_trev/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_trev/epw1.in\nq-e-qe-7.5/test-suite/epw_trev/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_trev/ph.in\nq-e-qe-7.5/test-suite/epw_trev/pp.in\nq-e-qe-7.5/test-suite/epw_trev/scf.in\nq-e-qe-7.5/test-suite/epw_trev/scf_epw.in\nq-e-qe-7.5/test-suite/epw_trev_paw/\nq-e-qe-7.5/test-suite/epw_trev_paw/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_trev_paw/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_trev_paw/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_trev_paw/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_trev_paw/epw1.in\nq-e-qe-7.5/test-suite/epw_trev_paw/nscf.in\nq-e-qe-7.5/test-suite/epw_trev_paw/path.dat\nq-e-qe-7.5/test-suite/epw_trev_paw/pathq.dat\nq-e-qe-7.5/test-suite/epw_trev_paw/ph.in\nq-e-qe-7.5/test-suite/epw_trev_paw/pp.in\nq-e-qe-7.5/test-suite/epw_trev_paw/scf.in\nq-e-qe-7.5/test-suite/epw_trev_uspp/\nq-e-qe-7.5/test-suite/epw_trev_uspp/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_trev_uspp/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_trev_uspp/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_trev_uspp/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_trev_uspp/epw1.in\nq-e-qe-7.5/test-suite/epw_trev_uspp/nscf.in\nq-e-qe-7.5/test-suite/epw_trev_uspp/path.dat\nq-e-qe-7.5/test-suite/epw_trev_uspp/pathq.dat\nq-e-qe-7.5/test-suite/epw_trev_uspp/ph.in\nq-e-qe-7.5/test-suite/epw_trev_uspp/pp.in\nq-e-qe-7.5/test-suite/epw_trev_uspp/scf.in\nq-e-qe-7.5/test-suite/epw_wfpt/\nq-e-qe-7.5/test-suite/epw_wfpt/.gitignore\nq-e-qe-7.5/test-suite/epw_wfpt/README.md\nq-e-qe-7.5/test-suite/epw_wfpt/ahc1.in\nq-e-qe-7.5/test-suite/epw_wfpt/ahc2.in\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=ahc1.in.args=7\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=ahc2.in.args=7\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=epw11.in.args=3\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=epw12.in.args=3\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=epw21.in.args=3\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=epw22.in.args=3\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=epw23.in.args=3\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=matdyn.in.args=6\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=nscf1.in.args=1\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=nscf2.in.args=1\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_wfpt/epw11.in\nq-e-qe-7.5/test-suite/epw_wfpt/epw12.in\nq-e-qe-7.5/test-suite/epw_wfpt/epw21.in\nq-e-qe-7.5/test-suite/epw_wfpt/epw22.in\nq-e-qe-7.5/test-suite/epw_wfpt/epw23.in\nq-e-qe-7.5/test-suite/epw_wfpt/kpath.GammaX.txt\nq-e-qe-7.5/test-suite/epw_wfpt/matdyn.in\nq-e-qe-7.5/test-suite/epw_wfpt/nscf1.in\nq-e-qe-7.5/test-suite/epw_wfpt/nscf2.in\nq-e-qe-7.5/test-suite/epw_wfpt/ph.in\nq-e-qe-7.5/test-suite/epw_wfpt/postahc1.in\nq-e-qe-7.5/test-suite/epw_wfpt/postahc2.in\nq-e-qe-7.5/test-suite/epw_wfpt/pp.in\nq-e-qe-7.5/test-suite/epw_wfpt/q2r.in\nq-e-qe-7.5/test-suite/epw_wfpt/scf.in\nq-e-qe-7.5/test-suite/extract-all_currents.sh\nq-e-qe-7.5/test-suite/extract-cp.sh\nq-e-qe-7.5/test-suite/extract-epw.sh\nq-e-qe-7.5/test-suite/extract-hp.sh\nq-e-qe-7.5/test-suite/extract-image.sh\nq-e-qe-7.5/test-suite/extract-kcw.sh\nq-e-qe-7.5/test-suite/extract-oscdft-pp.sh\nq-e-qe-7.5/test-suite/extract-ph.sh\nq-e-qe-7.5/test-suite/extract-pioud.sh\nq-e-qe-7.5/test-suite/extract-pp.sh\nq-e-qe-7.5/test-suite/extract-pw.sh\nq-e-qe-7.5/test-suite/extract-tddfpt.sh\nq-e-qe-7.5/test-suite/extract-zg.sh\nq-e-qe-7.5/test-suite/gpu-resource-example.json\nq-e-qe-7.5/test-suite/hp_insulator_paw/\nq-e-qe-7.5/test-suite/hp_insulator_paw/BN.hp.in\nq-e-qe-7.5/test-suite/hp_insulator_paw/BN.scf.in\nq-e-qe-7.5/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/CrI3.hp.in\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/CrI3.scf.1.in\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/CrI3.scf.2.in\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.scf.1.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.scf.2.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_us/\nq-e-qe-7.5/test-suite/hp_insulator_us/LiCoO2.hp.in\nq-e-qe-7.5/test-suite/hp_insulator_us/LiCoO2.scf.in\nq-e-qe-7.5/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/LiCoO2.hp.in\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/LiCoO2.scf.in\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/NiO.hp.in\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/NiO.scf.1.in\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/NiO.scf.2.in\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=2\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=2\nq-e-qe-7.5/test-suite/hp_metal_paw_magn/\nq-e-qe-7.5/test-suite/hp_metal_paw_magn/Fe.hp.in\nq-e-qe-7.5/test-suite/hp_metal_paw_magn/Fe.scf.in\nq-e-qe-7.5/test-suite/hp_metal_paw_magn/benchmark.out.git.inp=Fe.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_metal_paw_magn/benchmark.out.git.inp=Fe.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_metal_paw_magn_intersiteV/\nq-e-qe-7.5/test-suite/hp_metal_paw_magn_intersiteV/LiNiO2.hp.in\nq-e-qe-7.5/test-suite/hp_metal_paw_magn_intersiteV/LiNiO2.scf.in\nq-e-qe-7.5/test-suite/hp_metal_paw_magn_intersiteV/benchmark.out.git.inp=LiNiO2.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_metal_paw_magn_intersiteV/benchmark.out.git.inp=LiNiO2.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_metal_us_magn/\nq-e-qe-7.5/test-suite/hp_metal_us_magn/Ni.hp.in\nq-e-qe-7.5/test-suite/hp_metal_us_magn/Ni.scf.in\nq-e-qe-7.5/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/bn.hp.in\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/bn.scf.in\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/au.hp.in\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/au.scf.in\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/bn.hp.in\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/bn.scf.in\nq-e-qe-7.5/test-suite/image_para/\nq-e-qe-7.5/test-suite/image_para/benchmark.out.git.inp=si.ph.in.args=2\nq-e-qe-7.5/test-suite/image_para/benchmark.out.git.inp=si.scf.in.args=1\nq-e-qe-7.5/test-suite/image_para/si.ph.in\nq-e-qe-7.5/test-suite/image_para/si.scf.in\nq-e-qe-7.5/test-suite/jobconfig\nq-e-qe-7.5/test-suite/kcw_ks/\nq-e-qe-7.5/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-ham.in.args=7\nq-e-qe-7.5/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-screen.in.args=16\nq-e-qe-7.5/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-wann2kcw.in.args=15\nq-e-qe-7.5/test-suite/kcw_ks/benchmark.out.git.inp=h2o.scf.in.args=1\nq-e-qe-7.5/test-suite/kcw_ks/h2o.kcw-ham.in\nq-e-qe-7.5/test-suite/kcw_ks/h2o.kcw-screen.in\nq-e-qe-7.5/test-suite/kcw_ks/h2o.kcw-wann2kcw.in\nq-e-qe-7.5/test-suite/kcw_ks/h2o.scf.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.kcw-ham.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.kcw-screen.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.kcw-wann2kcw.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.pw2wann.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.scf.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.win\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-ham.in.args=7\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-screen.in.args=6\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-wann2kcw.in.args=5\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.pw2wann.in.args=3\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.scf.in.args=1\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.win.args=2\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.win.args=4\nq-e-qe-7.5/test-suite/kcw_wann/\nq-e-qe-7.5/test-suite/kcw_wann/Si.kcw-ham.in\nq-e-qe-7.5/test-suite/kcw_wann/Si.kcw-screen.in\nq-e-qe-7.5/test-suite/kcw_wann/Si.kcw-wann2kcw.in\nq-e-qe-7.5/test-suite/kcw_wann/Si.pw2wann.in\nq-e-qe-7.5/test-suite/kcw_wann/Si.scf.in\nq-e-qe-7.5/test-suite/kcw_wann/Si.win\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-ham.in.args=7\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-screen.in.args=6\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-wann2kcw.in.args=5\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.pw2wann.in.args=3\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.scf.in.args=1\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.win.args=2\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.win.args=4\nq-e-qe-7.5/test-suite/kcw_wann_sym/\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.kcw-ham.in\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.kcw-screen.in\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.kcw-wann2kcw.in\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.pw2wann.in\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.scf.in\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.win\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-ham.in.args=7\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-screen.in.args=6\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-wann2kcw.in.args=5\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.pw2wann.in.args=3\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.scf.in.args=1\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.win.args=2\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.win.args=4\nq-e-qe-7.5/test-suite/noexe/\nq-e-qe-7.5/test-suite/noexe/benchmark.out.git.inp=langevin.in\nq-e-qe-7.5/test-suite/noexe/benchmark.out.git.inp=langevin_smc.in\nq-e-qe-7.5/test-suite/noexe/benchmark.out.git.inp=md_verlet_wall.in\nq-e-qe-7.5/test-suite/noexe/langevin.in\nq-e-qe-7.5/test-suite/noexe/langevin_smc.in\nq-e-qe-7.5/test-suite/noexe/md_verlet_wall.in\nq-e-qe-7.5/test-suite/not_epw_comp/\nq-e-qe-7.5/test-suite/not_epw_comp/epw1.in\nq-e-qe-7.5/test-suite/not_epw_comp/grid.py\nq-e-qe-7.5/test-suite/not_epw_comp/nscf_epw.in\nq-e-qe-7.5/test-suite/not_epw_comp/ph.in\nq-e-qe-7.5/test-suite/not_epw_comp/ph_epw.in\nq-e-qe-7.5/test-suite/not_epw_comp/scf.in\nq-e-qe-7.5/test-suite/not_epw_comp/scf_epw.in\nq-e-qe-7.5/test-suite/not_epw_scdm/\nq-e-qe-7.5/test-suite/not_epw_scdm/LGX.txt\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/not_epw_scdm/epw1.in\nq-e-qe-7.5/test-suite/not_epw_scdm/epw2.in\nq-e-qe-7.5/test-suite/not_epw_scdm/epw3.in\nq-e-qe-7.5/test-suite/not_epw_scdm/nscf.in\nq-e-qe-7.5/test-suite/not_epw_scdm/ph.in\nq-e-qe-7.5/test-suite/not_epw_scdm/pp.in\nq-e-qe-7.5/test-suite/not_epw_scdm/scf.in\nq-e-qe-7.5/test-suite/oscdft_pp/\nq-e-qe-7.5/test-suite/oscdft_pp/benchmark.out.git.inp=normalize.in.args=3_normalize.oscdft.in_pw.in\nq-e-qe-7.5/test-suite/oscdft_pp/benchmark.out.git.inp=view.in.args=3_view.oscdft.in_pw.in\nq-e-qe-7.5/test-suite/oscdft_pp/normalize.in\nq-e-qe-7.5/test-suite/oscdft_pp/normalize.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pp/pw.in\nq-e-qe-7.5/test-suite/oscdft_pp/view.in\nq-e-qe-7.5/test-suite/oscdft_pp/view.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=k.in.args=2_k.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=nooscdft.in.args=1\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=normcons.in.args=2_normcons.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=relax.in.args=2_scf.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=scf.in.args=2_scf.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=view.in.args=2_view.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/k.in\nq-e-qe-7.5/test-suite/oscdft_pw/k.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/nooscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/normcons.in\nq-e-qe-7.5/test-suite/oscdft_pw/normcons.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/relax.in\nq-e-qe-7.5/test-suite/oscdft_pw/scf.in\nq-e-qe-7.5/test-suite/oscdft_pw/scf.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/view.in\nq-e-qe-7.5/test-suite/oscdft_pw/view.oscdft.in\nq-e-qe-7.5/test-suite/ph_1d/\nq-e-qe-7.5/test-suite/ph_1d/benchmark.out.git.inp=ch4.dynmat.in.args=9\nq-e-qe-7.5/test-suite/ph_1d/benchmark.out.git.inp=ch4.ph.in.args=2\nq-e-qe-7.5/test-suite/ph_1d/benchmark.out.git.inp=ch4.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_1d/ch4.dynmat.in\nq-e-qe-7.5/test-suite/ph_1d/ch4.ph.in\nq-e-qe-7.5/test-suite/ph_1d/ch4.scf.in\nq-e-qe-7.5/test-suite/ph_2d/\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=matdyn1.in.args=8\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=matdyn2.in.args=8\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=q2r1.in.args=3\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=q2r2.in.args=3\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/ph_2d/matdyn1.in\nq-e-qe-7.5/test-suite/ph_2d/matdyn2.in\nq-e-qe-7.5/test-suite/ph_2d/ph.in\nq-e-qe-7.5/test-suite/ph_2d/q2r1.in\nq-e-qe-7.5/test-suite/ph_2d/q2r2.in\nq-e-qe-7.5/test-suite/ph_2d/scf.in\nq-e-qe-7.5/test-suite/ph_Ni_nc_spinorbit_mag/\nq-e-qe-7.5/test-suite/ph_Ni_nc_spinorbit_mag/Ni.ph.in\nq-e-qe-7.5/test-suite/ph_Ni_nc_spinorbit_mag/Ni.scf.in\nq-e-qe-7.5/test-suite/ph_Ni_nc_spinorbit_mag/benchmark.out.git.inp=Ni.ph.in.args=2\nq-e-qe-7.5/test-suite/ph_Ni_nc_spinorbit_mag/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/BN.phG.in\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/BN.phq.in\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/BN.scf.in\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.phq.in.args=2\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_U_insulator_us/\nq-e-qe-7.5/test-suite/ph_U_insulator_us/BN.phG.in\nq-e-qe-7.5/test-suite/ph_U_insulator_us/BN.phq.in\nq-e-qe-7.5/test-suite/ph_U_insulator_us/BN.scf.in\nq-e-qe-7.5/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.phq.in.args=2\nq-e-qe-7.5/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_U_metal_paw/\nq-e-qe-7.5/test-suite/ph_U_metal_paw/Ni.phq.in\nq-e-qe-7.5/test-suite/ph_U_metal_paw/Ni.scf.in\nq-e-qe-7.5/test-suite/ph_U_metal_paw/benchmark.out.git.inp=Ni.phq.in.args=2\nq-e-qe-7.5/test-suite/ph_U_metal_paw/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_U_metal_us/\nq-e-qe-7.5/test-suite/ph_U_metal_us/Fe.ph.in\nq-e-qe-7.5/test-suite/ph_U_metal_us/Fe.scf.in\nq-e-qe-7.5/test-suite/ph_U_metal_us/benchmark.out.git.inp=Fe.ph.in.args=2\nq-e-qe-7.5/test-suite/ph_U_metal_us/benchmark.out.git.inp=Fe.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_bas/\nq-e-qe-7.5/test-suite/ph_ahc_bas/.gitignore\nq-e-qe-7.5/test-suite/ph_ahc_bas/ahc1.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/ahc2.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc1.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc2.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=dvscfq2r.in.args=6\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=matdyn1.in.args=4\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=matdyn2.in.args=4\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=postahc1.in.args=7\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=postahc2.in.args=7\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=q2r.in.args=3\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_bas/dvscfq2r.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/matdyn1.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/matdyn2.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/nscf.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/ph.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/postahc1.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/postahc2.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/q2r.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/scf.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/\nq-e-qe-7.5/test-suite/ph_ahc_diam/.gitignore\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc1.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc2.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc3.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.dvscfq2r.doneutral.in.args=6\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.dvscfq2r.in.args=6\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn1.in.args=4\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn2.in.args=4\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn3.in.args=4\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.nscf.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.nscf.nosym.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ph.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc1.in.args=7\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc2.in.args=7\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc3.in.args=7\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.q2r.in.args=3\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.ahc1.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.ahc2.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.ahc3.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.dvscfq2r.doneutral.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.dvscfq2r.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.matdyn1.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.matdyn2.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.matdyn3.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.nscf.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.nscf.nosym.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.ph.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.postahc1.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.postahc2.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.postahc3.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.q2r.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.scf.in\nq-e-qe-7.5/test-suite/ph_base/\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=c.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=c.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=ni.phX.in.args=2\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=ni.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=nipaw.phX.in.args=2\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=nipaw.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=si.ph.in.args=8\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=si.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=si.phX.in.args=2\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=si.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_base/c.phG.in\nq-e-qe-7.5/test-suite/ph_base/c.scf.in\nq-e-qe-7.5/test-suite/ph_base/ni.phX.in\nq-e-qe-7.5/test-suite/ph_base/ni.scf.in\nq-e-qe-7.5/test-suite/ph_base/nipaw.phX.in\nq-e-qe-7.5/test-suite/ph_base/nipaw.scf.in\nq-e-qe-7.5/test-suite/ph_base/si.phG.in\nq-e-qe-7.5/test-suite/ph_base/si.phX.in\nq-e-qe-7.5/test-suite/ph_base/si.scf.in\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/O2.phG.in\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/O2.scf.1.in\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/O2.scf.2.in\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.scf.1.in.args=1\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.scf.2.in.args=1\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/NiO.phG.in\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/NiO.scf.1.in\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/NiO.scf.2.in\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=1\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=1\nq-e-qe-7.5/test-suite/ph_interpol_metal/\nq-e-qe-7.5/test-suite/ph_interpol_metal/al.dvscfq2r.in\nq-e-qe-7.5/test-suite/ph_interpol_metal/al.elph.in\nq-e-qe-7.5/test-suite/ph_interpol_metal/al.elph.interpol.in\nq-e-qe-7.5/test-suite/ph_interpol_metal/al.ph.in\nq-e-qe-7.5/test-suite/ph_interpol_metal/al.scf.in\nq-e-qe-7.5/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.dvscfq2r.in.args=6\nq-e-qe-7.5/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.elph.in.args=2\nq-e-qe-7.5/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.elph.interpol.in.args=2\nq-e-qe-7.5/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.ph.in.args=2\nq-e-qe-7.5/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_metal/\nq-e-qe-7.5/test-suite/ph_metal/al.elph.in\nq-e-qe-7.5/test-suite/ph_metal/al.elph.notrans.in\nq-e-qe-7.5/test-suite/ph_metal/al.scf.fit.in\nq-e-qe-7.5/test-suite/ph_metal/al.scf.in\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=al.elph.in.args=2\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=al.elph.notrans.in.args=2\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=al.scf.fit.in.args=1\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=al.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=lambda.in.args=5\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=matdyn.in.dos.args=4\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=matdyn.in.freq.args=4\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=q2r.in.args=3\nq-e-qe-7.5/test-suite/ph_metal/lambda.in\nq-e-qe-7.5/test-suite/ph_metal/matdyn.in.dos\nq-e-qe-7.5/test-suite/ph_metal/matdyn.in.freq\nq-e-qe-7.5/test-suite/ph_metal/q2r.in\nq-e-qe-7.5/test-suite/ph_multipole/\nq-e-qe-7.5/test-suite/ph_multipole/README.txt\nq-e-qe-7.5/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.01.args=2\nq-e-qe-7.5/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.02.args=2\nq-e-qe-7.5/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.03.args=2\nq-e-qe-7.5/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.04.args=13\nq-e-qe-7.5/test-suite/ph_multipole/benchmark.out.git.inp=scf.in.args=12\nq-e-qe-7.5/test-suite/ph_multipole/multipole.py\nq-e-qe-7.5/test-suite/ph_multipole/ph.in\nq-e-qe-7.5/test-suite/ph_multipole/ph.in.01\nq-e-qe-7.5/test-suite/ph_multipole/ph.in.02\nq-e-qe-7.5/test-suite/ph_multipole/ph.in.03\nq-e-qe-7.5/test-suite/ph_multipole/ph.in.04\nq-e-qe-7.5/test-suite/ph_multipole/scf.in\nq-e-qe-7.5/test-suite/ph_restart/\nq-e-qe-7.5/test-suite/ph_restart/SiC.phG.in\nq-e-qe-7.5/test-suite/ph_restart/SiC.phG.restart1.in\nq-e-qe-7.5/test-suite/ph_restart/SiC.phG.restart2.in\nq-e-qe-7.5/test-suite/ph_restart/SiC.phG.restart3.in\nq-e-qe-7.5/test-suite/ph_restart/SiC.phG.restart4.in\nq-e-qe-7.5/test-suite/ph_restart/SiC.scf.in\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart1.in.args=2\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart2.in.args=2\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart3.in.args=2\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart4.in.args=2\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_twochem/\nq-e-qe-7.5/test-suite/ph_twochem/benchmark.out.git.inp=phG_twochem.in.args=11\nq-e-qe-7.5/test-suite/ph_twochem/benchmark.out.git.inp=scf_twochem.in.args=1\nq-e-qe-7.5/test-suite/ph_twochem/phG_twochem.in\nq-e-qe-7.5/test-suite/ph_twochem/scf_twochem.in\nq-e-qe-7.5/test-suite/pioud_diamond/\nq-e-qe-7.5/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_ceriotti.in\nq-e-qe-7.5/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_pimd.in\nq-e-qe-7.5/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_verlet.in\nq-e-qe-7.5/test-suite/pioud_diamond/diamond_ceriotti.in\nq-e-qe-7.5/test-suite/pioud_diamond/diamond_pimd.in\nq-e-qe-7.5/test-suite/pioud_diamond/diamond_verlet.in\nq-e-qe-7.5/test-suite/pp_acf/\nq-e-qe-7.5/test-suite/pp_acf/benchmark.out.git.inp=ppacf_fock.in.args=2\nq-e-qe-7.5/test-suite/pp_acf/benchmark.out.git.inp=scf_vdw.in.args=1\nq-e-qe-7.5/test-suite/pp_acf/ppacf_fock.in\nq-e-qe-7.5/test-suite/pp_acf/scf_vdw.in\nq-e-qe-7.5/test-suite/pw_atom/\nq-e-qe-7.5/test-suite/pw_atom/atom-lsda.in\nq-e-qe-7.5/test-suite/pw_atom/atom-occ1.in\nq-e-qe-7.5/test-suite/pw_atom/atom-occ2.in\nq-e-qe-7.5/test-suite/pw_atom/atom-pbe.in\nq-e-qe-7.5/test-suite/pw_atom/atom-sigmapbe.in\nq-e-qe-7.5/test-suite/pw_atom/atom.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom-lsda.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom-occ1.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom-occ2.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom-pbe.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom-sigmapbe.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom.in\nq-e-qe-7.5/test-suite/pw_b3lyp/\nq-e-qe-7.5/test-suite/pw_b3lyp/b3lyp-O.in\nq-e-qe-7.5/test-suite/pw_b3lyp/b3lyp-h2o.in\nq-e-qe-7.5/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-O.in\nq-e-qe-7.5/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-h2o.in\nq-e-qe-7.5/test-suite/pw_b3lyp/benchmark.out.git.inp=x3lyp-O.in\nq-e-qe-7.5/test-suite/pw_b3lyp/benchmark.out.git.inp=x3lyp-h2o.in\nq-e-qe-7.5/test-suite/pw_b3lyp/x3lyp-O.in\nq-e-qe-7.5/test-suite/pw_b3lyp/x3lyp-h2o.in\nq-e-qe-7.5/test-suite/pw_berry/\nq-e-qe-7.5/test-suite/pw_berry/benchmark.out.git.inp=berry-1.in\nq-e-qe-7.5/test-suite/pw_berry/benchmark.out.git.inp=berry-2.in\nq-e-qe-7.5/test-suite/pw_berry/benchmark.out.git.inp=berry.in\nq-e-qe-7.5/test-suite/pw_berry/berry-1.in\nq-e-qe-7.5/test-suite/pw_berry/berry-2.in\nq-e-qe-7.5/test-suite/pw_berry/berry.in\nq-e-qe-7.5/test-suite/pw_cluster/\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster1.in\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster2.in\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster3.in\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster4.in\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster5.in\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster6.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster1.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster2.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster3.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster4.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster5.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster6.in\nq-e-qe-7.5/test-suite/pw_dft/\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft1.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft10.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft11.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft2.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft3.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft4.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft5.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft6.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft7.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft8.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft9.in\nq-e-qe-7.5/test-suite/pw_dft/dft1.in\nq-e-qe-7.5/test-suite/pw_dft/dft10.in\nq-e-qe-7.5/test-suite/pw_dft/dft11.in\nq-e-qe-7.5/test-suite/pw_dft/dft2.in\nq-e-qe-7.5/test-suite/pw_dft/dft3.in\nq-e-qe-7.5/test-suite/pw_dft/dft4.in\nq-e-qe-7.5/test-suite/pw_dft/dft5.in\nq-e-qe-7.5/test-suite/pw_dft/dft6.in\nq-e-qe-7.5/test-suite/pw_dft/dft7.in\nq-e-qe-7.5/test-suite/pw_dft/dft8.in\nq-e-qe-7.5/test-suite/pw_dft/dft9.in\nq-e-qe-7.5/test-suite/pw_dipole/\nq-e-qe-7.5/test-suite/pw_dipole/2dcutoff.in\nq-e-qe-7.5/test-suite/pw_dipole/benchmark.out.git.inp=2dcutoff.in\nq-e-qe-7.5/test-suite/pw_dipole/benchmark.out.git.inp=dipole.in\nq-e-qe-7.5/test-suite/pw_dipole/dipole.in\nq-e-qe-7.5/test-suite/pw_electric/\nq-e-qe-7.5/test-suite/pw_electric/benchmark.out.git.inp=electric-1.in\nq-e-qe-7.5/test-suite/pw_electric/benchmark.out.git.inp=electric-2.in\nq-e-qe-7.5/test-suite/pw_electric/benchmark.out.git.inp=electric.in\nq-e-qe-7.5/test-suite/pw_electric/electric-1.in\nq-e-qe-7.5/test-suite/pw_electric/electric-2.in\nq-e-qe-7.5/test-suite/pw_electric/electric.in\nq-e-qe-7.5/test-suite/pw_eval/\nq-e-qe-7.5/test-suite/pw_eval/benchmark.out.git.inp=eval_infix-2.in\nq-e-qe-7.5/test-suite/pw_eval/benchmark.out.git.inp=eval_infix.in\nq-e-qe-7.5/test-suite/pw_eval/eval_infix-2.in\nq-e-qe-7.5/test-suite/pw_eval/eval_infix.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/\nq-e-qe-7.5/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si111.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si222.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si444.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/gau-pbe-si111.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/gau-pbe-si222.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/gau-pbe-si444.in\nq-e-qe-7.5/test-suite/pw_hse/\nq-e-qe-7.5/test-suite/pw_hse/benchmark.out.git.inp=hse-si111.in\nq-e-qe-7.5/test-suite/pw_hse/benchmark.out.git.inp=hse-si222.in\nq-e-qe-7.5/test-suite/pw_hse/benchmark.out.git.inp=hse-si444.in\nq-e-qe-7.5/test-suite/pw_hse/hse-si111.in\nq-e-qe-7.5/test-suite/pw_hse/hse-si222.in\nq-e-qe-7.5/test-suite/pw_hse/hse-si444.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-12-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-12.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-3-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-3.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-5-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-5.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters+a.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters+celldm.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters-ang.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav1-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav1.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav10-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav10.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav11-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav11.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav12-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav12.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav13-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav13.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav14-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav14.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav2-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav2.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav3-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav3.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav4-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav4.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav5-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav5.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav6-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav6.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav7-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav7.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav8-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav8.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav9-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav9.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-wyckoff-sio2.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-12-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-12.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-3-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-3.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-5-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-5.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters+a.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters+celldm.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters-ang.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav1-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav1.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav10-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav10.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav11-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav11.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav12-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav12.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav13-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav13.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav14-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav14.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav2-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav2.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav3-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav3.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav4-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav4.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav5-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav5.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav6-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav6.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav7-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav7.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav8-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav8.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav9-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav9.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-wyckoff-sio2.in\nq-e-qe-7.5/test-suite/pw_lda+U/\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+J0.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V-user_ns.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_background.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_force_stress_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_noncol_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U-noU.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U-user_ns.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_background_one_channel.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_background_two_channels.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_force.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_force_stress_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_gamma.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_kind1_collin.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_kind1_noncollin.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_noncol_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_orbital_resolved.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_pseudo.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U+J0.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U+V-user_ns.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U+V_background.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U+V_force_stress_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U+V_noncol_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U-noU.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U-noU.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U-user_ns.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U-user_ns.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_background_one_channel.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_background_two_channels.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_force.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_force.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_force_stress_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_gamma.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_gamma.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_kind1_collin.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_kind1_noncollin.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_noncol_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_orbital_resolved.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_orbital_resolved.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_pseudo.in\nq-e-qe-7.5/test-suite/pw_libxc/\nq-e-qe-7.5/test-suite/pw_libxc/benchmark.out.git.inp=gga_unpol_atom-pbe.in\nq-e-qe-7.5/test-suite/pw_libxc/benchmark.out.git.inp=hyb_gga_unpol_hse-si111.in\nq-e-qe-7.5/test-suite/pw_libxc/benchmark.out.git.inp=lda_pol_atom-lsda.in\nq-e-qe-7.5/test-suite/pw_libxc/benchmark.out.git.inp=mgga_unpol_metaGGA.in\nq-e-qe-7.5/test-suite/pw_libxc/gga_unpol_atom-pbe.in\nq-e-qe-7.5/test-suite/pw_libxc/hyb_gga_unpol_hse-si111.in\nq-e-qe-7.5/test-suite/pw_libxc/lda_pol_atom-lsda.in\nq-e-qe-7.5/test-suite/pw_libxc/mgga_unpol_metaGGA.in\nq-e-qe-7.5/test-suite/pw_lsda/\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-2.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-cg.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-nelup+neldw.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-tot_magnetization.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-2.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-cg.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-nelup+neldw.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-tot_magnetization.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda.in\nq-e-qe-7.5/test-suite/pw_md/\nq-e-qe-7.5/test-suite/pw_md/CMakeLists.txt\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap1.in\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap1.in.args=1\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap2.in\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap2.in.args=2\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-wfc_extrap1.in.args=1\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-wfc_extrap2.in.args=2\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md.in.args=1\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md_restart_verlet.in.args=22\nq-e-qe-7.5/test-suite/pw_md/md-pot_extrap1.in\nq-e-qe-7.5/test-suite/pw_md/md-pot_extrap2.in\nq-e-qe-7.5/test-suite/pw_md/md-wfc_extrap1.in\nq-e-qe-7.5/test-suite/pw_md/md-wfc_extrap2.in\nq-e-qe-7.5/test-suite/pw_md/md.in\nq-e-qe-7.5/test-suite/pw_md/md_restart_verlet.in\nq-e-qe-7.5/test-suite/pw_md/md_restart_verlet_original.md\nq-e-qe-7.5/test-suite/pw_metaGGA/\nq-e-qe-7.5/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-1.in\nq-e-qe-7.5/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-2.in\nq-e-qe-7.5/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-spin.in\nq-e-qe-7.5/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA.in\nq-e-qe-7.5/test-suite/pw_metaGGA/metaGGA-1.in\nq-e-qe-7.5/test-suite/pw_metaGGA/metaGGA-2.in\nq-e-qe-7.5/test-suite/pw_metaGGA/metaGGA-spin.in\nq-e-qe-7.5/test-suite/pw_metaGGA/metaGGA.in\nq-e-qe-7.5/test-suite/pw_metal/\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-2.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-fermi_dirac.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-gaussian.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra-1.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra-2.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal.in\nq-e-qe-7.5/test-suite/pw_metal/metal-2.in\nq-e-qe-7.5/test-suite/pw_metal/metal-fermi_dirac.in\nq-e-qe-7.5/test-suite/pw_metal/metal-gaussian.in\nq-e-qe-7.5/test-suite/pw_metal/metal-tetrahedra-1.in\nq-e-qe-7.5/test-suite/pw_metal/metal-tetrahedra-2.in\nq-e-qe-7.5/test-suite/pw_metal/metal-tetrahedra.in\nq-e-qe-7.5/test-suite/pw_metal/metal.in\nq-e-qe-7.5/test-suite/pw_noncolin/\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-1.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-2.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-cg.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_angle.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_atomic.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_total.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-hyb.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-pbe.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-rmm.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-1.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-2.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-cg.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-constrain_angle.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-constrain_atomic.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-constrain_total.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-hyb.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-pbe.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-rmm.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin.in\nq-e-qe-7.5/test-suite/pw_pawatom/\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_l=2.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_lda.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_spin.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_spin_lda.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_tqr.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-bfgs.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-vcbfgs.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom_l=2.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom_lda.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom_spin.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom_spin_lda.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom_tqr.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-bfgs.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-vcbfgs.in\nq-e-qe-7.5/test-suite/pw_pbe/\nq-e-qe-7.5/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si111.in\nq-e-qe-7.5/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si222.in\nq-e-qe-7.5/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si444.in\nq-e-qe-7.5/test-suite/pw_pbe/benchmark.out.git.inp=pbeq2d.in\nq-e-qe-7.5/test-suite/pw_pbe/pbe0-si111.in\nq-e-qe-7.5/test-suite/pw_pbe/pbe0-si222.in\nq-e-qe-7.5/test-suite/pw_pbe/pbe0-si444.in\nq-e-qe-7.5/test-suite/pw_pbe/pbeq2d.in\nq-e-qe-7.5/test-suite/pw_plugins/\nq-e-qe-7.5/test-suite/pw_plugins/benchmark.out.git.inp=plugin-pw2casino_1.in.args=48\nq-e-qe-7.5/test-suite/pw_plugins/benchmark.out.git.inp=plugin-pw2casino_2.in.args=48\nq-e-qe-7.5/test-suite/pw_plugins/plugin-pw2casino_1.in\nq-e-qe-7.5/test-suite/pw_plugins/plugin-pw2casino_2.in\nq-e-qe-7.5/test-suite/pw_realspace/\nq-e-qe-7.5/test-suite/pw_realspace/benchmark.out.git.inp=cluster_gs.in\nq-e-qe-7.5/test-suite/pw_realspace/benchmark.out.git.inp=cluster_gs50.in\nq-e-qe-7.5/test-suite/pw_realspace/benchmark.out.git.inp=cluster_rs.in\nq-e-qe-7.5/test-suite/pw_realspace/benchmark.out.git.inp=cluster_rs50.in\nq-e-qe-7.5/test-suite/pw_realspace/cluster_gs.in\nq-e-qe-7.5/test-suite/pw_realspace/cluster_gs50.in\nq-e-qe-7.5/test-suite/pw_realspace/cluster_rs.in\nq-e-qe-7.5/test-suite/pw_realspace/cluster_rs50.in\nq-e-qe-7.5/test-suite/pw_relax/\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax-damped.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax-el.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax-extfor.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax-fire.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax2-bfgs_ndim3.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax2.in\nq-e-qe-7.5/test-suite/pw_relax/relax-damped.in\nq-e-qe-7.5/test-suite/pw_relax/relax-el.in\nq-e-qe-7.5/test-suite/pw_relax/relax-extfor.in\nq-e-qe-7.5/test-suite/pw_relax/relax-fire.in\nq-e-qe-7.5/test-suite/pw_relax/relax.in\nq-e-qe-7.5/test-suite/pw_relax/relax2-bfgs_ndim3.in\nq-e-qe-7.5/test-suite/pw_relax/relax2.in\nq-e-qe-7.5/test-suite/pw_scf/\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-1.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-2.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-allfrac.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-cg-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-cg.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io-1.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io-2.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-gth.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-k0.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-kauto.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-kcrys.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_beta.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-ncpp.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-nofrac.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-occ.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-paro-k.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-k.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-paro-k.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf.in\nq-e-qe-7.5/test-suite/pw_scf/scf-1.in\nq-e-qe-7.5/test-suite/pw_scf/scf-2.in\nq-e-qe-7.5/test-suite/pw_scf/scf-allfrac.in\nq-e-qe-7.5/test-suite/pw_scf/scf-cg-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/scf-cg.in\nq-e-qe-7.5/test-suite/pw_scf/scf-disk_io-1.in\nq-e-qe-7.5/test-suite/pw_scf/scf-disk_io-2.in\nq-e-qe-7.5/test-suite/pw_scf/scf-disk_io.in\nq-e-qe-7.5/test-suite/pw_scf/scf-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/scf-gth.in\nq-e-qe-7.5/test-suite/pw_scf/scf-k0.in\nq-e-qe-7.5/test-suite/pw_scf/scf-kauto.in\nq-e-qe-7.5/test-suite/pw_scf/scf-kcrys.in\nq-e-qe-7.5/test-suite/pw_scf/scf-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_scf/scf-mixing_beta.in\nq-e-qe-7.5/test-suite/pw_scf/scf-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_scf/scf-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_scf/scf-ncpp.in\nq-e-qe-7.5/test-suite/pw_scf/scf-nofrac.in\nq-e-qe-7.5/test-suite/pw_scf/scf-occ.in\nq-e-qe-7.5/test-suite/pw_scf/scf-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/scf-paro-k.in\nq-e-qe-7.5/test-suite/pw_scf/scf-rmm-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/scf-rmm-k.in\nq-e-qe-7.5/test-suite/pw_scf/scf-rmm-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/scf-rmm-paro-k.in\nq-e-qe-7.5/test-suite/pw_scf/scf.in\nq-e-qe-7.5/test-suite/pw_spinorbit/\nq-e-qe-7.5/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-1.in\nq-e-qe-7.5/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-3.in\nq-e-qe-7.5/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-paw.in\nq-e-qe-7.5/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-pbe.in\nq-e-qe-7.5/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit.in\nq-e-qe-7.5/test-suite/pw_spinorbit/spinorbit-1.in\nq-e-qe-7.5/test-suite/pw_spinorbit/spinorbit-3.in\nq-e-qe-7.5/test-suite/pw_spinorbit/spinorbit-paw.in\nq-e-qe-7.5/test-suite/pw_spinorbit/spinorbit-pbe.in\nq-e-qe-7.5/test-suite/pw_spinorbit/spinorbit.in\nq-e-qe-7.5/test-suite/pw_twochem/\nq-e-qe-7.5/test-suite/pw_twochem/benchmark.out.git.inp=nscf_twochem.in.args=2\nq-e-qe-7.5/test-suite/pw_twochem/benchmark.out.git.inp=relax_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/benchmark.out.git.inp=scf_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/benchmark.out.git.inp=vc-relax_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/nscf_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/relax_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/scf_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/vc-relax_twochem.in\nq-e-qe-7.5/test-suite/pw_uspp/\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-2.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-cg-gamma.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-cg.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-g.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-k.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-paro-k.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-singlegrid.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp1-coulomb.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp1.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp2.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-2.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-cg-gamma.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-cg.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-hyb-g.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-hyb-k.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-paro-k.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-singlegrid.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp1-coulomb.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp1.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp2.in\nq-e-qe-7.5/test-suite/pw_vc-relax/\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-md1.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-md2.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax1.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax2.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax3.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax4.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax5.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax6.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-md1.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-md2.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax1.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax2.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax3.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax4.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax5.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax6.in\nq-e-qe-7.5/test-suite/pw_vdw/\nq-e-qe-7.5/test-suite/pw_vdw/beef-spin.in\nq-e-qe-7.5/test-suite/pw_vdw/beef.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=beef-spin.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=beef.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=rVV10.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdW-DF3-opt1.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdW-DF3-opt2.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdw-d2.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdw-d3.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdw-mbd-vc-relax.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdw-mbd.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdw-ts.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=xdm.in\nq-e-qe-7.5/test-suite/pw_vdw/rVV10.in\nq-e-qe-7.5/test-suite/pw_vdw/vdW-DF3-opt1.in\nq-e-qe-7.5/test-suite/pw_vdw/vdW-DF3-opt2.in\nq-e-qe-7.5/test-suite/pw_vdw/vdw-d2.in\nq-e-qe-7.5/test-suite/pw_vdw/vdw-d3.in\nq-e-qe-7.5/test-suite/pw_vdw/vdw-mbd-vc-relax.in\nq-e-qe-7.5/test-suite/pw_vdw/vdw-mbd.in\nq-e-qe-7.5/test-suite/pw_vdw/vdw-ts.in\nq-e-qe-7.5/test-suite/pw_vdw/xdm.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-gamma-restart-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-gamma-restart-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-k-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-k-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-gamma-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-gamma-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-restart-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-restart-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-smearing-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-smearing-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/ncpp-gamma-restart-1.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/ncpp-gamma-restart-2.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/ncpp-k-1.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/ncpp-k-2.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-gamma-1.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-gamma-2.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-k-restart-1.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-k-restart-2.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-k-smearing-1.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-k-smearing-2.in\nq-e-qe-7.5/test-suite/pw_workflow_relax_relax/\nq-e-qe-7.5/test-suite/pw_workflow_relax_relax/benchmark.out.git.inp=relax-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_relax_relax/benchmark.out.git.inp=relax-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_relax_relax/relax-1.in\nq-e-qe-7.5/test-suite/pw_workflow_relax_relax/relax-2.in\nq-e-qe-7.5/test-suite/pw_workflow_scf_dos/\nq-e-qe-7.5/test-suite/pw_workflow_scf_dos/benchmark.out.git.inp=scf-dos-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_scf_dos/benchmark.out.git.inp=scf-dos-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_scf_dos/scf-dos-1.in\nq-e-qe-7.5/test-suite/pw_workflow_scf_dos/scf-dos-2.in\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_dos/\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_dos/benchmark.out.git.inp=vc-relax-dos-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_dos/benchmark.out.git.inp=vc-relax-dos-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_dos/vc-relax-dos-1.in\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_dos/vc-relax-dos-2.in\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/benchmark.out.git.inp=vc-relax-scf-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/benchmark.out.git.inp=vc-relax-scf-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-1.expected_exit_msg\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-1.in\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-2.in\nq-e-qe-7.5/test-suite/run-all_currents.sh\nq-e-qe-7.5/test-suite/run-cp.sh\nq-e-qe-7.5/test-suite/run-epw.sh\nq-e-qe-7.5/test-suite/run-hp.sh\nq-e-qe-7.5/test-suite/run-image.sh\nq-e-qe-7.5/test-suite/run-kcw.sh\nq-e-qe-7.5/test-suite/run-oscdft.sh\nq-e-qe-7.5/test-suite/run-ph.sh\nq-e-qe-7.5/test-suite/run-pioud.sh\nq-e-qe-7.5/test-suite/run-pp.sh\nq-e-qe-7.5/test-suite/run-pw.sh\nq-e-qe-7.5/test-suite/run-tddfpt.sh\nq-e-qe-7.5/test-suite/run-zg.sh\nq-e-qe-7.5/test-suite/tddfpt_CH4/\nq-e-qe-7.5/test-suite/tddfpt_CH4/CH4.pw.in\nq-e-qe-7.5/test-suite/tddfpt_CH4/CH4.tddfpt.in\nq-e-qe-7.5/test-suite/tddfpt_CH4/CH4.tddfpt_pp.in\nq-e-qe-7.5/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.pw.in.args=1\nq-e-qe-7.5/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.tddfpt.in.args=2\nq-e-qe-7.5/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.tddfpt_pp.in.args=3\nq-e-qe-7.5/test-suite/tddfpt_eels-si/\nq-e-qe-7.5/test-suite/tddfpt_eels-si/Si.pw.in\nq-e-qe-7.5/test-suite/tddfpt_eels-si/Si.tddfpt-eels.in\nq-e-qe-7.5/test-suite/tddfpt_eels-si/Si.tddfpt_pp_eels.in\nq-e-qe-7.5/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.pw.in.args=1\nq-e-qe-7.5/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.tddfpt-eels.in.args=5\nq-e-qe-7.5/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.tddfpt_pp_eels.in.args=4\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/Fe.pw.in\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/Fe.tddfpt-magnons.in\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/Fe.tddfpt_pp_magnons.in\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.pw.in.args=1\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.tddfpt-magnons.in.args=6\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.tddfpt_pp_magnons.in.args=7\nq-e-qe-7.5/test-suite/testcode/\nq-e-qe-7.5/test-suite/testcode/LICENSE\nq-e-qe-7.5/test-suite/testcode/README.rst\nq-e-qe-7.5/test-suite/testcode/bin/\nq-e-qe-7.5/test-suite/testcode/bin/testcode.py\nq-e-qe-7.5/test-suite/testcode/docs/\nq-e-qe-7.5/test-suite/testcode/docs/.static/\nq-e-qe-7.5/test-suite/testcode/docs/.static/dummy_file\nq-e-qe-7.5/test-suite/testcode/docs/.templates/\nq-e-qe-7.5/test-suite/testcode/docs/.templates/dummy_file\nq-e-qe-7.5/test-suite/testcode/docs/Makefile\nq-e-qe-7.5/test-suite/testcode/docs/conf.py\nq-e-qe-7.5/test-suite/testcode/docs/configuration_files.rst\nq-e-qe-7.5/test-suite/testcode/docs/index.rst\nq-e-qe-7.5/test-suite/testcode/docs/installation.rst\nq-e-qe-7.5/test-suite/testcode/docs/jobconfig.rst\nq-e-qe-7.5/test-suite/testcode/docs/testcode.py.rst\nq-e-qe-7.5/test-suite/testcode/docs/userconfig.rst\nq-e-qe-7.5/test-suite/testcode/docs/verification.rst\nq-e-qe-7.5/test-suite/testcode/lib/\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/__init__.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/_functools_dummy.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/ansi.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/compatibility.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/config.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/dir_lock.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/exceptions.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/queues.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/util.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/validation.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/vcs.py\nq-e-qe-7.5/test-suite/userconfig.tmp\nq-e-qe-7.5/test-suite/validate_xsd_pw.py\nq-e-qe-7.5/test-suite/xsd_pw/\nq-e-qe-7.5/test-suite/xsd_pw/WaterP1_0_scf_0.in\nq-e-qe-7.5/test-suite/zg_conf/\nq-e-qe-7.5/test-suite/zg_conf/benchmark.out.git.inp=zg.in.args=0\nq-e-qe-7.5/test-suite/zg_conf/si.10_10_10.fc\nq-e-qe-7.5/test-suite/zg_conf/zg.in\nq-e-qe-7.5/upflib/\nq-e-qe-7.5/upflib/CMakeLists.txt\nq-e-qe-7.5/upflib/Makefile\nq-e-qe-7.5/upflib/README.md\nq-e-qe-7.5/upflib/TODO_upflib.md\nq-e-qe-7.5/upflib/atom.f90\nq-e-qe-7.5/upflib/atomic_number.f90\nq-e-qe-7.5/upflib/atwfc_mod.f90\nq-e-qe-7.5/upflib/beta_mod.f90\nq-e-qe-7.5/upflib/casino2upf.f90\nq-e-qe-7.5/upflib/casino_pp.f90\nq-e-qe-7.5/upflib/dom.f90\nq-e-qe-7.5/upflib/dqvan2.f90\nq-e-qe-7.5/upflib/dylmr2.f90\nq-e-qe-7.5/upflib/fixfiles.py\nq-e-qe-7.5/upflib/gen_us_dj.f90\nq-e-qe-7.5/upflib/gen_us_dy.f90\nq-e-qe-7.5/upflib/gth.f90\nq-e-qe-7.5/upflib/hgh2qe.f90\nq-e-qe-7.5/upflib/init_us_0.f90\nq-e-qe-7.5/upflib/init_us_1.f90\nq-e-qe-7.5/upflib/init_us_2_acc.f90\nq-e-qe-7.5/upflib/init_us_b0.f90\nq-e-qe-7.5/upflib/paw_variables.f90\nq-e-qe-7.5/upflib/pseudo_types.f90\nq-e-qe-7.5/upflib/qrad_mod.f90\nq-e-qe-7.5/upflib/qvan2.f90\nq-e-qe-7.5/upflib/radial_grids.f90\nq-e-qe-7.5/upflib/read_cpmd.f90\nq-e-qe-7.5/upflib/read_fhi.f90\nq-e-qe-7.5/upflib/read_ncpp.f90\nq-e-qe-7.5/upflib/read_ps.f90\nq-e-qe-7.5/upflib/read_psml.f90\nq-e-qe-7.5/upflib/read_upf_new.f90\nq-e-qe-7.5/upflib/read_upf_v1.f90\nq-e-qe-7.5/upflib/read_uspp.f90\nq-e-qe-7.5/upflib/rhoat_mod.f90\nq-e-qe-7.5/upflib/rhoc_mod.f90\nq-e-qe-7.5/upflib/simpsn.f90\nq-e-qe-7.5/upflib/sph_bes.f90\nq-e-qe-7.5/upflib/sph_ind.f90\nq-e-qe-7.5/upflib/spinor.f90\nq-e-qe-7.5/upflib/splinelib.f90\nq-e-qe-7.5/upflib/upf_auxtools.f90\nq-e-qe-7.5/upflib/upf_const.f90\nq-e-qe-7.5/upflib/upf_error.f90\nq-e-qe-7.5/upflib/upf_invmat.f90\nq-e-qe-7.5/upflib/upf_io.f90\nq-e-qe-7.5/upflib/upf_ions.f90\nq-e-qe-7.5/upflib/upf_kinds.f90\nq-e-qe-7.5/upflib/upf_kinds.h\nq-e-qe-7.5/upflib/upf_parallel_include.f90\nq-e-qe-7.5/upflib/upf_params.f90\nq-e-qe-7.5/upflib/upf_spinorb.f90\nq-e-qe-7.5/upflib/upf_to_internal.f90\nq-e-qe-7.5/upflib/upf_utils.f90\nq-e-qe-7.5/upflib/upfconv.f90\nq-e-qe-7.5/upflib/uspp.f90\nq-e-qe-7.5/upflib/uspp_param.f90\nq-e-qe-7.5/upflib/virtual_v2.f90\nq-e-qe-7.5/upflib/vloc_mod.f90\nq-e-qe-7.5/upflib/write_upf_new.f90\nq-e-qe-7.5/upflib/wxml.f90\nq-e-qe-7.5/upflib/xmltools.f90\nq-e-qe-7.5/upflib/ylmr2.f90\nq-e-qe-7.5/upflib/ylmr2_gpu.f90\n/kaggle/working/q-e-qe-7.5\n","output_type":"stream"}],"execution_count":4},{"cell_type":"markdown","source":"Here, nvfortran is a requirement otherwise the code cannot work. Use cuda 12.3 or above (use versions which give direct tarball over the newer 13.0+ interactive installer as it does not work).","metadata":{}},{"cell_type":"code","source":"%cd /kaggle/working\n!wget https://developer.download.nvidia.com/hpc-sdk/24.11/nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\n!tar -xvf nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\n!rm -rf nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-08T08:49:50.275037Z","iopub.execute_input":"2026-07-08T08:49:50.275563Z","iopub.status.idle":"2026-07-08T08:53:56.485965Z","shell.execute_reply.started":"2026-07-08T08:49:50.275526Z","shell.execute_reply":"2026-07-08T08:53:56.485159Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"/kaggle/working\n--2026-07-08 08:49:50-- https://developer.download.nvidia.com/hpc-sdk/24.11/nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\nResolving developer.download.nvidia.com (developer.download.nvidia.com)... 23.202.230.216, 23.202.230.229\nConnecting to developer.download.nvidia.com (developer.download.nvidia.com)|23.202.230.216|:443... connected.\nHTTP request sent, awaiting response... 200 OK\nLength: 6131381079 (5.7G) [application/x-gzip]\nSaving to: ‘nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz’\n\nnvhpc_2024_2411_Lin 100%[===================>] 5.71G 48.0MB/s in 2m 9s \n\n2026-07-08 08:51:59 (45.4 MB/s) - ‘nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz’ saved [6131381079/6131381079]\n\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/install_cdk\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/NVHPCConfig.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/install_module\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/.parts/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/.parts/Linux_x86_64\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/install_cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/src/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/src/libm.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/src/cal_mpi.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/src/cudafor_derived_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/src/iso_fortran_env.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/src/omp_lib.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/src/cudafor_driver_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/src/iso_c_bind.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/src/cudafor.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/src/cusparse.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/pgunzip\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/.cuobjdumprc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/pgzip\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/compute-sanitizer\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/pgcc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nvsize\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/pgf77\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/llvmcomprc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/ccirc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/lin8664rc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/cuda-gdbrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/cuobjdumprc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/cpprc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/fnativerc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/f77rc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/nativerc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/paralgorc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/crc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/acc1rc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/targetrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/x86rc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/c++llvmrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/lincommonrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/mpitrampolinerc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/llvmx8664rc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/ncurc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/f90rc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/compute-sanitizerrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/cuda-memcheckrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/noiparc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/x8664rc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/nvprofrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/ccrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/iparc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/c++rc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/nvccrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/deprecatedrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/ccllvmrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/f90llvmrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/cppcurc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/llvmrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/llvmx86rc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/ftnrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/acclin8664rc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/versionrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/lin86rc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/cudaselectrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/persnvirc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/omprc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/nsysrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/rcfiles/cudatoolkittrampolinerc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/pgcpuid\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/nvdlinrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/fort2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/fort1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/acclnk\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/append\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/nvd64rc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/genfpifpidx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/fort2ex\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/nvdd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/ipa\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/nvvmd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/nvcpfe\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/nvnvvmd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/.nvddrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/persnvirc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/import\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/tools/nvdrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/.cuda-gdbrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/.cuda-memcheckrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/pgprepro\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nvunzip\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/pgsize\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/.nvc++rc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/cuda-gdb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/cuda-memcheck\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/pgcudainit\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/.nsysrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nvc++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/pgaccelerror\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nvzip\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nv-nsight-cu-cli\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nvprof\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nvaccelinfo\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nvdecode\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nvaccelerror\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nsys\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nvc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/.nvccrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nvprepro\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nvcpuid\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nvextract\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/pgaccelinfo\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/.compute-sanitizerrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nvcc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/.nvfortranrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/.nvprofrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/cuobjdump\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/.nvcrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/.ncurc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/pgf90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/makelocalrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/pgf95\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/ncu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/pgc++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nvcudainit\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/pgfortran\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nsys-ui\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/nvfortran\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/bin/ncu-ui\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcublas.ipl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvcpumath-avx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/liblapack_ilp64.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvcpumath.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudafor_118.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/preinit_allbnd.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcmanaux_nvmalloc.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libblas_ilp64.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcman.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/initacc.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwrapsparse11.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libaccstub.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/acc_init_link_acc.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvomp_dev_110.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libaccnotify.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudafor_118.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcmanaux.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libblas_lp64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libhxrt_dev_113.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvf.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudafor_120.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/acc_init_link_multicore.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libblas_ilp64.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_wmma_runtime_cc80.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_runtime_builtins_cc86.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_runtime_builtins_cc89.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_runtime_builtins_cc60.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_runtime_builtins_cc80.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_runtime_builtins_cc61.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_runtime_builtins_cc50.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_nvshmem_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_real2_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_curand_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_runtime_builtins_cc70.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_cpp_builtins.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_utils_runtime_cc90.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvomp_dev_nvcc.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_omp_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_utils_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_runtime_cc70.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_cpp_builtins_cc70.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_runtime_builtins_cc75.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_runtime_builtins_cc90.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_runtime_builtins_cc35.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_wmma_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_builtin_intrinsics_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_builtin_intrinsics_runtime_cc80.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/11/nvhpc_cuda_runtime_cc60.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_wmma_runtime_cc80.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_runtime_builtins_cc86.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_runtime_builtins_cc89.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_runtime_builtins_cc60.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_runtime_builtins_cc80.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_runtime_builtins_cc61.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_runtime_builtins_cc50.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_nvshmem_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_real2_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_curand_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_runtime_builtins_cc70.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_cpp_builtins.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_utils_runtime_cc90.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvomp_dev_nvcc.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_omp_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_utils_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_runtime_cc70.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_cpp_builtins_cc70.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_runtime_builtins_cc75.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_runtime_builtins_cc90.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_runtime_builtins_cc35.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_wmma_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_builtin_intrinsics_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_builtin_intrinsics_runtime_cc80.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm70/12/nvhpc_cuda_runtime_cc60.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/cuda_init_register_end.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/hugebss.ld\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwrapblas.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/f90alt.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcman.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvhpc.ld\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/liblapack_ilp64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvomp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libomp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudanvhpc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwraptensor_113.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/initmp.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudafor_120.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/f90i8st.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/__gpu_unified_compiled.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libacchosts.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/acc_init_set_cuda.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcwrapcufftmp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libblas.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudadevice.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvomp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/acc_init_set_unified.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libblas.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libhugetlbfs_nvhpc.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvmalloc_nofree.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvc.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcwrapcusolvermp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/liblapack_ilp64.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/f90main.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcwrapnvtx.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcwrapcufft.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwraptensor_113.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudafor2.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwrapsparse12.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/liblapack_lp64.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/preinit_bind.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudadevice.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvmalloc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libmpich.ipl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcmanaux.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnsnvc.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvcpumath-avx2.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libhxrt_dev.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvcpumath-avx512.ld\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libpthread.ipl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvlamath.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libblas_ilp64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvc.ipl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libacchost.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudafor.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvcpumath.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/acc_init_link_mp.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libblas.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudafor2.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/liblapack.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libaccdevaux113.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libpgc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcwrapcublasmp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libacchost.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libaccdevaux110.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvmalloc.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwrapsparse11.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwrapblas.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcwrapnvtx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvcpumath-avx2.ld\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcwrapcal.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcwrapcublasmp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libaccdevaux.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcwrapcufft.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libaccdevices.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libpgm.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudafor_113.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwrapnccl.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvf-avx2.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudafor_110.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libm.ipl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libfmpich.ipl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/acc_init_link_host.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/preinit_all.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libblas_lp64.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudanvhpc.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libhugetlbfs_nvhpc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvomp_ompt.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/liblapack_lp64.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwraptensor_118.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcwrapcusolvermp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvhpcloc.ld\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libc.ipl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcatm.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvomp_dev.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libpgmath.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libaccdevice.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libpgc.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwrapblas117.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvcpumath-avx.ld\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwrapnccl.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/acc_init_link_cuda.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libgomp.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_wmma_runtime_cc80.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_runtime_builtins_cc86.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_runtime_builtins_cc89.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_runtime_builtins_cc60.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_runtime_builtins_cc80.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_runtime_builtins_cc61.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_runtime_builtins_cc50.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_nvshmem_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_real2_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_curand_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_runtime_builtins_cc70.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvomp_dev_nvcc.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_omp_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_utils_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_runtime_cc70.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_runtime_builtins_cc75.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_runtime_builtins_cc90.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_runtime_builtins_cc35.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_wmma_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_builtin_intrinsics_runtime.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_builtin_intrinsics_runtime_cc80.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvvm34/11/nvhpc_cuda_runtime_cc60.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcwrapshmem.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcwrapcal.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libaccdevaux113.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwraptensor.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvgpumath.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvmalloc_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/liblapack.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcwrapcufftmp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libaccstub_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwrapblas117.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvlamath.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvompstub_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/liblapack.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudafor_113.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libmem.il\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libaccdevice.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvcpumath-avx512.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libaccdevaux.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcwrapshmem.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvomp_ompt.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/liblapack_lp64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libpgmath.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libaccdevaux110.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvf.ipl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwraprand.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudafor_110.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libhxrt_dev_110.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libgomp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libpgm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvf.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvf-avx2.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvompstub.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/nvhpc.syms\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwraptensor_118.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libblas_lp64.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libstdc++.ipl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwraprand.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudafor.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvomp_dev_113.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libnvhpcatm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/subchk.o\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwrapsparse12.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libcudaforwraptensor.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/lib/libaccprof.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvToolsExtOpenCL.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvtx3.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvToolsExtCuda.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvToolsExtCudaRt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvToolsExt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvtxDetail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvtxDetail/nvtxImplOpenCL_v3.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvtxDetail/nvtxInit.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvtxDetail/nvtxLinkOnce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvtxDetail/nvtxInitDecls.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvtxDetail/nvtxInitDefs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvtxDetail/nvtxImplCuda_v3.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvtxDetail/nvtxImpl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvtxDetail/nvtxImplCudaRt_v3.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvtxDetail/nvtxImplCore.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvtxDetail/nvtxImplSync_v3.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvtxDetail/nvtxTypes.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nvtx3/nvToolsExtSync.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/vector.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/scatter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/unique.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/reduce_intervals.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/uninitialized_fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/uninitialized_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/copy_if.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/reduce.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/logical.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/remove.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/memory.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/reduce_by_key.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/merge.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/unique_by_key.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/par.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/sort.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/scan.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/iter_swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/partition.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/per_device_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/tabulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/get_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/gather.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/unique_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/for_each.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/copy.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/reduce_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/transform_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/assign_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/swap_ranges.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/set_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/malloc_and_free.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/scan_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/detail/extrema.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/tbb/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/system_error.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/scatter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/stable_primitive_sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/copy_backward.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/uninitialized_fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/general_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/uninitialized_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/stable_radix_sort.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/logical.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/merge.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/stable_radix_sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/sort.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/iter_swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/stable_merge_sort.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/per_device_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/tabulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/get_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/gather.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/stable_primitive_sort.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/unique_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/copy.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/stable_merge_sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/reduce_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/transform_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/trivial_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/assign_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/swap_ranges.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/set_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/malloc_and_free.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/scan_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/insertion_sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/sequential/extrema.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/error_code.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/scatter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/uninitialized_fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/uninitialized_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/logical.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/iter_swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/per_device_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/tabulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/get_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/gather.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/unique_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/reduce_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/transform_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/assign_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/async/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/async/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/async/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/async/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/async/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/async/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/async/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/swap_ranges.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/set_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/malloc_and_free.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/scan_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/adl/extrema.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/system_error.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/error_condition.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/errno.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/select_system.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/temporary_buffer.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/inner_product.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/binary_search.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/generate.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/scatter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/unique.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/transform_reduce.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/advance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/uninitialized_fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/select_system_exists.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/uninitialized_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/select_system.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/copy_if.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/reduce.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/gather.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/uninitialized_fill.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/logical.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/remove.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/memory.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/reverse.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/reduce_by_key.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/merge.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/equal.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/unique_by_key.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/sort.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/scan.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/count.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/replace.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/scalar/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/scalar/binary_search.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/scalar/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/shuffle.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/partition.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/tag.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/advance.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/per_device_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/distance.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/distance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/tabulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/gather.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/unique_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/shuffle.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/copy.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/find.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/uninitialized_copy.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/reduce_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/transform_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/adjacent_difference.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/mismatch.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/scan_by_key.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/transform.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/swap_ranges.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/swap_ranges.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/set_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/extrema.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/scan_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/tabulate.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/set_operations.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/transform_scan.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/scatter.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/sequence.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/generic/extrema.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/internal/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/internal/decompose.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/bad_alloc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/detail/error_category.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/vector.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/error.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/terminate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/cross_system.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/scatter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/par_to_seq.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/parallel_for.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/core/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/core/triple_chevron_launch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/core/util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/core/agent_launcher.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/uninitialized_fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/uninitialized_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/logical.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/make_unsigned_special.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/memory.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/par.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/iter_swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/cdp_dispatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/per_device_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/tabulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/get_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/gather.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/unique_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/internal/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/internal/copy_device_to_device.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/internal/copy_cross_system.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/reduce_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/transform_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/assign_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/dispatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/async/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/async/customization.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/async/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/async/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/async/inclusive_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/async/exclusive_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/async/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/async/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/async/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/async/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/swap_ranges.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/set_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/malloc_and_free.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/scan_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/future.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/error.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/detail/extrema.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/future.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cuda/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/vector.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/vector.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/scatter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/uninitialized_fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/uninitialized_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/logical.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/memory.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/par.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/iter_swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/per_device_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/tabulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/get_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/gather.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/unique_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/reduce_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/transform_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/assign_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/swap_ranges.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/set_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/malloc_and_free.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/scan_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/detail/extrema.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/cpp/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/vector.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/scatter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/unique.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/reduce_intervals.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/uninitialized_fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/uninitialized_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/copy_if.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/reduce.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/logical.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/remove.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/memory.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/reduce_by_key.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/unique_by_key.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/par.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/sort.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/reduce_intervals.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/iter_swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/default_decomposition.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/partition.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/per_device_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/tabulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/get_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/gather.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/unique_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/for_each.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/copy.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/reduce_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/default_decomposition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/transform_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/assign_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/swap_ranges.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/set_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/malloc_and_free.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/pragma_omp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/scan_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/detail/extrema.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/omp/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system/error_code.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/optional.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/universal_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/scatter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/cmake/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/cmake/README.md\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/cmake/thrust-header-search.cmake.in\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/cmake/thrust-header-search.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/cmake/thrust-config.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/cmake/thrust-config-version.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/cmake/FindTBB.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/device_malloc_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/host_vector.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/normal_distribution.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/uniform_int_distribution.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/uniform_real_distribution.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/xor_combine_engine.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/detail/xor_combine_engine.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/detail/normal_distribution_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/detail/uniform_int_distribution.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/detail/subtract_with_carry_engine.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/detail/linear_congruential_engine_discard.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/detail/xor_combine_engine_max.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/detail/linear_feedback_shift_engine.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/detail/random_core_access.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/detail/normal_distribution.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/detail/discard_block_engine.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/detail/linear_feedback_shift_engine_wordmask.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/detail/linear_congruential_engine.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/detail/mod.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/detail/uniform_real_distribution.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/discard_block_engine.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/linear_feedback_shift_engine.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/subtract_with_carry_engine.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random/linear_congruential_engine.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/advance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/uninitialized_fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/uninitialized_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/tuple.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/disjoint_pool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/disjoint_sync_pool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/universal_memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/host_memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/polymorphic_adaptor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/pool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/tls_pool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/fancy_pointer_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/disjoint_tls_pool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/new.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/device_memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/sync_pool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/validator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/mr/pool_options.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/universal_ptr.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/device_ptr.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/logical.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/constant_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/transform_input_output_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/transform_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/discard_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/counting_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/permutation_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/iterator_facade.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/retag.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/iterator_facade_category.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/transform_input_output_iterator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/iterator_traits.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/any_assign.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/minimum_category.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/universal_categories.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/transform_output_iterator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/constant_iterator_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/tuple_of_iterator_references.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/device_system_tag.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/is_iterator_category.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/host_system_tag.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/tagged_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/distance_from_result.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/iterator_traversal_tags.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/reverse_iterator_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/retag.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/zip_iterator_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/minimum_system.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/zip_iterator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/iterator_category_to_traversal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/reverse_iterator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/discard_iterator_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/iterator_category_with_system_and_traversal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/counting_iterator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/join_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/iterator_category_to_system.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/transform_iterator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/iterator_adaptor_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/permutation_iterator_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/normal_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/detail/any_system_tag.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/iterator_adaptor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/zip_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/reverse_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/iterator_categories.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/transform_output_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/iterator/iterator_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/zip_function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/event.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/system_error.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/functional.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/device_free.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/select_system.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/inner_product.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/vector_base.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/algorithm_wrapper.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/internal_functional.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/numeric_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/binary_search.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/alignment.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/generate.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/memory_algorithms.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/unique.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/transform_reduce.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator_aware_execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/memory_wrapper.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/copy_construct_range.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/malloc_allocator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/copy_construct_range.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/tagged_allocator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/default_construct_range.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/fill_construct_range.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/temporary_allocator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/destroy_range.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/allocator_traits.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/fill_construct_range.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/malloc_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/destroy_range.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/tagged_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/default_construct_range.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/temporary_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/allocator_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/allocator/no_throw_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/temporary_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/numeric_wrapper.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/type_deduction.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/type_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/contiguous_storage.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/copy_if.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/reduce.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/use_default.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/modern_gcc_required.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/pointer.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/integer_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/gather.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/uninitialized_fill.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/get_iterator_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/remove.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/tuple_algorithms.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/reverse.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/merge.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/dependencies_aware_execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/equal.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/vector_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/overlapped_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/sort.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/execute_with_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/execute_with_allocator_fwd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/config/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/config/compiler_fence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/config/cpp_compatibility.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/config/compiler.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/config/cpp_dialect.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/config/simple_defines.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/config/global_workarounds.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/config/config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/config/memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/config/host_system.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/config/deprecated.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/config/namespace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/config/device_system.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/scan.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/count.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/mpl/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/mpl/math.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/replace.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/malloc_and_free_fwd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/device_malloc.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/execute_with_dependencies.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/trivial_sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/temporary_array.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/raw_pointer_cast.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/reference_forward_declaration.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/partition.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/tuple_transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/advance.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/integer_math.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/raw_reference_cast.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/type_traits/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/type_traits/iterator/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/type_traits/iterator/is_output_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/type_traits/iterator/is_discard_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/type_traits/function_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/type_traits/minimum_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/type_traits/pointer_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/type_traits/result_of_adaptable_function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/type_traits/is_metafunction_defined.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/type_traits/is_call_possible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/type_traits/has_nested_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/type_traits/has_member_function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/distance.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/range/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/range/tail_flags.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/range/head_flags.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/cpp14_required.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/seq.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/caching_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional/placeholder.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional/value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional/composite.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional/argument.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional/operators.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional/actor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional/operators/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional/operators/assignment_operator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional/operators/arithmetic_operators.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional/operators/relational_operators.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional/operators/bitwise_operators.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional/operators/compound_assignment_operators.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional/operators/logical_operators.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional/operators/operator_adaptors.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/functional/actor.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/logical.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/device_delete.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/minmax.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/shuffle.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/contiguous_storage.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/for_each.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/copy.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/find.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/uninitialized_copy.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/event_error.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/static_map.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/static_assert.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/adjacent_difference.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/mismatch.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/transform.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/swap_ranges.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/device_new.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/swap.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/device_ptr.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/malloc_and_free.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/extrema.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/tuple_meta_transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/device_free.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/util/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/util/align.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/catrig.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/cproj.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/clog.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/ccoshf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/csqrt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/csinhf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/csinh.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/ctanhf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/arithmetic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/clogf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/complex.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/cexpf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/ccosh.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/stream.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/ctanh.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/cpow.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/c99math.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/csqrtf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/math_private.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/cexp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/complex/catrigf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/tabulate.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/set_operations.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/fill.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/transform_scan.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/scatter.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/sequence.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/detail/preprocessor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/device_delete.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/universal_vector.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/shuffle.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/device_reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/limits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/complex.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/per_device_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/type_traits/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/type_traits/is_trivially_relocatable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/type_traits/is_operator_plus_function_object.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/type_traits/is_contiguous_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/type_traits/is_operator_less_or_greater_function_object.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/type_traits/is_execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/type_traits/void_t.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/type_traits/integer_sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/type_traits/remove_cvref.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/type_traits/logical_metafunctions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/device_make_unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/distance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/pair.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/tabulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/device_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/gather.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/future.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/device_malloc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/device_new_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/transform_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/device_new.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/random.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/allocate_unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/async/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/async/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/async/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/async/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/async/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/async/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/async/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/set_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/device_vector.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/addressof.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/thrust/extrema.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/version.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/cmake/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/cmake/cub-header-search.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/cmake/cub-config-version.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/cmake/cub-config.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/cmake/cub-header-search.cmake.in\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/util_deprecated.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/util_ptx.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/util_namespace.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/util_vsmem.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/util_cpp_dialect.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/iterator/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/iterator/cache_modified_input_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/iterator/arg_index_input_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/iterator/cache_modified_output_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/iterator/discard_output_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/iterator/transform_input_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/iterator/constant_input_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/iterator/tex_obj_input_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/iterator/counting_input_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/util_temporary_storage.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/util_debug.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/detail/nvtx3.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/detail/temporary_storage.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/detail/device_double_buffer.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/detail/device_synchronize.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/detail/type_traits.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/detail/strong_load.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/detail/choose_offset.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/detail/nvtx.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/detail/uninitialized_copy.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/detail/detect_cuda_runtime.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/detail/strong_store.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/util_macro.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/block_run_length_decode.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/block_scan.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/block_load.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/block_discontinuity.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/block_raking_layout.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/radix_rank_sort_operations.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/block_shuffle.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/block_store.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/block_radix_rank.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/block_histogram.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/block_radix_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/block_adjacent_difference.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/block_merge_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/specializations/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/specializations/block_scan_raking.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/specializations/block_scan_warp_scans.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/specializations/block_reduce_raking_commutative_only.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/specializations/block_histogram_atomic.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/specializations/block_reduce_raking.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/specializations/block_histogram_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/specializations/block_reduce_warp_reductions.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/block_reduce.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/block/block_exchange.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/util_arch.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/thread/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/thread/thread_operators.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/thread/thread_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/thread/thread_load.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/thread/thread_search.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/thread/thread_store.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/thread/thread_scan.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/thread/thread_reduce.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/warp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/warp/warp_reduce.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/warp/warp_store.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/warp/warp_merge_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/warp/warp_scan.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/warp/warp_load.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/warp/warp_exchange.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/warp/specializations/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/warp/specializations/warp_reduce_shfl.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/warp/specializations/warp_exchange_smem.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/warp/specializations/warp_scan_smem.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/warp/specializations/warp_reduce_smem.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/warp/specializations/warp_scan_shfl.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/warp/specializations/warp_exchange_shfl.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/grid/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/grid/grid_queue.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/grid/grid_barrier.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/grid/grid_even_share.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/grid/grid_mapping.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/util_compiler.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/util_type.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/util_math.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/cub.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/util_allocator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_segmented_radix_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_unique_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_adjacent_difference.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_reduce.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_radix_sort_upsweep.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_radix_sort_downsweep.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_select_if.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_reduce_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_radix_sort_histogram.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_histogram.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/single_pass_scan_operators.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_radix_sort_onesweep.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_scan_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_for.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_segment_fixup.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_rle.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_merge_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_scan.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_spmv_orig.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_sub_warp_merge_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_batch_memcpy.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/agent/agent_three_way_partition.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/device_copy.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/device_segmented_reduce.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/device_radix_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/device_reduce.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/dispatch_reduce_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/tuning/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/tuning/tuning_scan_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/tuning/tuning_run_length_encode.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/tuning/tuning_reduce_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/tuning/tuning_for.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/tuning/tuning_unique_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/tuning/tuning_scan.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/tuning/tuning_select_if.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/tuning/tuning_three_way_partition.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/tuning/tuning_histogram.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/dispatch_spmv_orig.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/dispatch_reduce.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/dispatch_three_way_partition.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/dispatch_adjacent_difference.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/dispatch_histogram.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/dispatch_rle.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/dispatch_unique_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/dispatch_select_if.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/dispatch_for.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/dispatch_scan_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/dispatch_radix_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/dispatch_segmented_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/dispatch_batch_memcpy.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/dispatch_scan.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/dispatch/dispatch_merge_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/device_select.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/device_scan.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/device_for.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/device_segmented_radix_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/device_partition.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/device_adjacent_difference.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/device_memcpy.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/device_spmv.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/device_histogram.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/device_run_length_encode.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/device_merge_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/device/device_segmented_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/host/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/host/mutex.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/util_device.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cub/config.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/concepts\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cuda/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cuda/api_wrapper.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cuda/cstdint_prelude.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cuda/chrono.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cuda/climits_prelude.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cuda/latch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cuda/cmath_nvfp16.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cuda/cstddef_prelude.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cuda/semaphore.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cuda/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cuda/cmath_nvbf16.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cuda/barrier.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/variant\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/cmath\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/initializer_list\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cccl/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cccl/compiler.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cccl/system_header.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cccl/attributes.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cccl/extended_floating_point.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cccl/visibility.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cccl/dialect.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cccl/diagnostic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cccl/execution_space.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cccl/sequence_access.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cccl/version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__cccl/ptx_isa.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/ccomplex\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__variant/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__variant/monostate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/tuple\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/cfloat\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/climits\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/chrono\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/array\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__fwd/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__fwd/hash.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__fwd/array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__fwd/tuple.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__fwd/get.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__fwd/string_view.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__fwd/subrange.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__fwd/memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__fwd/pair.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__fwd/string.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__fwd/span.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/underlying_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_callable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_literal_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_integral.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_scalar.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_char_like_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/remove_const_ref.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/make_const_lvalue_ref.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_copy_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_arithmetic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_unbounded_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_core_convertible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_copy_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/nat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_unsigned.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_const.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_abstract.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/disjunction.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/integral_constant.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_nothrow_move_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_signed.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/remove_const.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_fundamental.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_trivially_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/promote.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/conditional.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_bounded_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_final.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_polymorphic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/make_32_64_or_128_bit.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_volatile.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/decay.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_nothrow_destructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/make_signed.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_scoped_enum.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/enable_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/type_identity.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_move_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/can_extract_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/add_lvalue_reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/remove_pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_member_pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_pod.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_member_object_pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_reference_wrapper.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/lazy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_trivial.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_standard_layout.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/dependent_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_nothrow_convertible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/result_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_trivially_copy_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_aggregate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/negation.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_destructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/void_t.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_default_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_implicitly_default_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_empty.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_valid_expansion.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/apply_cv.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/aligned_storage.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_null_pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_nothrow_copy_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_trivially_move_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_nothrow_default_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/copy_cvref.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_trivially_copyable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/maybe_const.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_trivially_copy_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/add_cv.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/rank.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_same.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_nothrow_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/alignment_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_trivially_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_primary_template.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/remove_extent.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_nothrow_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/remove_cvref.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_convertible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/remove_reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_void.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/extent.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/copy_cv.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_constant_evaluated.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_referenceable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_member_function_pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_trivially_destructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_trivially_move_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_move_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/make_unsigned.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_base_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/has_unique_object_representation.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/has_virtual_destructor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_object.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/conjunction.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_nothrow_move_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/add_rvalue_reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_signed_integer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_union.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_floating_point.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/remove_volatile.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/common_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_enum.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_unsigned_integer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/type_list.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_swappable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/add_const.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/add_pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_trivially_default_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_compound.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/remove_cv.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/add_volatile.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_nothrow_copy_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/aligned_union.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/common_reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_class.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/remove_all_extents.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__type_traits/is_pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__complex/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__complex/nvbf16.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__complex/nvfp16.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__complex/vector_support.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__new_\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__tuple_dir/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__tuple_dir/sfinae_helpers.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__tuple_dir/vector_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__tuple_dir/tuple_size.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__tuple_dir/structured_bindings.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__tuple_dir/tuple_like_ext.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__tuple_dir/apply_cv.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__tuple_dir/tuple_like.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__tuple_dir/tuple_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__tuple_dir/make_tuple_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__tuple_dir/tuple_indices.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__tuple_dir/tuple_element.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/static_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/layout_left.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/layout_right.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/no_unique_address.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/standard_layout_static_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/mdspan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/macros.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/extents.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/submdspan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/layout_stride.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/default_accessor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/maybe_static_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/type_list.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/compressed_pair.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/dynamic_extent.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__mdspan/full_extent_t.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__ranges/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__ranges/views.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__ranges/view_interface.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__ranges/dangling.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__ranges/concepts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__ranges/enable_view.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__ranges/access.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__ranges/subrange.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__ranges/rbegin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__ranges/data.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__ranges/empty.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__ranges/size.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__ranges/rend.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__ranges/enable_borrowed_range.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__new/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__new/allocate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__new/launder.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__new/bad_alloc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/iterator\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/cassert\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/limits\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/reference_wrapper.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/perfect_forward.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/weak_result_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/hash.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/is_transparent.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/binder2nd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/pointer_to_binary_function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/bind_front.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/compose.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/unary_negate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/binder1st.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/mem_fn.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/invoke.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/not_fn.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/ranges_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/binary_function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/unwrap_ref.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/unary_function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/bind_back.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/binary_negate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/identity.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/bind.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/default_searcher.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/mem_fun_ref.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__functional/pointer_to_unary_function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/span\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/atomic\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/ctime\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm_\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/concepts\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/variant\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/cmath\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/algorithm\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/__verbose_abort\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/initializer_list\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/ccomplex\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/__functional_base\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/tuple\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/cfloat\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/climits\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/chrono\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/array\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/__debug\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/memory\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/cstring\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/__threading_support\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/iterator\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/cassert\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/limits\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/span\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/ctime\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/new\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/iosfwd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/stdexcept\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/cstdlib\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/__assert\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/ratio\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/__availability\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/optional\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/barrier\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/mdspan\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/semaphore\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/type_traits\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/support/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/support/win32/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/support/win32/limits_msvc_win32.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/support/ibm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/support/ibm/limits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/__config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/utility\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/functional\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/cstddef\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/string.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/latch\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/expected\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/bit\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/bitset\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/ranges\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/cstdint\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/version\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/complex\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/math.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/libcxx/include/__bit_reference\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/__annotated_ptr\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/__access_property\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/detail/__config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/set_intersection.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/replace_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/pop_heap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/find_end.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/replace_copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/rotate_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/partial_sort_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/count_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/find_first_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/partition_point.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/is_heap_until.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/remove_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/copy_backward.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/copy_n.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/prev_permutation.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/next_permutation.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/includes.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/none_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/remove_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/generate_n.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/remove_copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/sort_heap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/max_element.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/find_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/max.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/set_symmetric_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/is_permutation.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/clamp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/set_union.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/lower_bound.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/unwrap_iter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/find_if_not.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/is_sorted.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/iter_swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/any_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/unique_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/set_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/is_heap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/unwrap_range.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/make_heap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/fill_n.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/move.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/replace_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/move_backward.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/shift_left.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/is_partitioned.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/reverse_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/minmax_element.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/comp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/equal_range.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/partition_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/adjacent_find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/half_positive.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/shift_right.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/partial_sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/minmax.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/min.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/upper_bound.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/all_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/is_sorted_until.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/swap_ranges.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/rotate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/for_each_n.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/search_n.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/make_projected.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/ranges_iterator_concept.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/sift_down.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/lexicographical_compare.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/min_element.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/iterator_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/push_heap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__algorithm/comp_ref_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/cstdlib\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/ratio\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/optional\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/barrier\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/mdspan\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/semaphore\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/type_traits\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/numeric\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory_\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__numeric/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__numeric/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__numeric/transform_exclusive_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__numeric/gcd_lcm.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__numeric/accumulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__numeric/inclusive_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__numeric/exclusive_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__numeric/iota.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__numeric/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__numeric/partial_sum.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__numeric/transform_inclusive_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__numeric/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__numeric/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__numeric/midpoint.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/utility\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/same_as.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/swappable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/relation.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/boolean_testable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/destructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/regular.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/arithmetic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/different_from.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/common_reference_with.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/invocable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/convertible_to.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/class_or_enum.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/_One_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/derived_from.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/predicate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/copyable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/equality_comparable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/totally_ordered.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/movable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/all_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/semiregular.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/__concept_macros.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__concepts/common_with.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/functional\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/cstddef\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/allocator_destructor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/voidify.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/align.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/allocate_at_least.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/uses_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/allocator_arg_t.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/unique_ptr.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/builtin_new_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/destruct_n.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/uninitialized_algorithms.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/pointer_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/allocator_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/construct_at.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/compressed_pair.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/addressof.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__memory/allocation_guard.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/latch\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/expected\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/bit\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/back_insert_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/erase_if_container.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/move_sentinel.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/advance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/concepts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/move_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/default_sentinel.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/prev.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/readable_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/access.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/sortable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/insert_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/ostream_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/reverse_access.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/iter_swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/wrap_iter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/distance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/ostreambuf_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/unreachable_sentinel.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/data.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/reverse_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/permutable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/mergeable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/bounded_iter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/empty.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/projected.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/size.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/istreambuf_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/iterator_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/next.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/front_insert_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/iter_move.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/incrementable_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/indirectly_comparable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__iterator/istream_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/order.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/wait/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/wait/notify_wait.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/wait/polling.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/scopes.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/api/reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/api/owned.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/api/common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/types/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/types/reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/types/locked.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/types/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/types/small.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/types/common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/platform/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/platform/msvc_to_builtins.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/functions/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/functions/cuda_ptx_generated.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/functions/cuda_ptx_derived.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/functions/host.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/platform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__atomic/functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/ranges\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/cstdint\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/version\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/complex\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__exception/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__exception/terminate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__exception/cuda_error.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__expected/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__expected/unexpect.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__expected/expected_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__expected/bad_expected_access.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__expected/expected.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__expected/unexpected.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/convert_to_integral.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/declval.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/unreachable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/auto_cast.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/priority_tag.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/to_underlying.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/as_const.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/integer_sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/piecewise_construct.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/exception_guard.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/cmp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/move.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/rel_ops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/pair.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/forward_like.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/in_place.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/forward.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/std/__utility/exchange.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/ptx_dot_variants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/cp_async_bulk_commit_group.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/cp_async_bulk_tensor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/cp_reduce_async_bulk.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/tensormap_replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/cp_reduce_async_bulk_tensor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/mbarrier_arrive.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/barrier_cluster.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/getctarank.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/tensormap_cp_fenceproxy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/st_async.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/get_sreg.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/fence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/cp_async_bulk.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/cp_async_bulk_wait_group.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/red_async.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/mbarrier_init.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/instructions/mbarrier_wait.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__ptx/ptx_helper_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/discard_memory\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/cmath\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__cccl_config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/ptx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/stream_ref\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/atomic\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/barrier\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/annotated_ptr\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/semaphore\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/functional\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__memory_resource/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__memory_resource/get_property.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__memory_resource/cuda_memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__memory_resource/resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__memory_resource/cuda_pinned_memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__memory_resource/cuda_managed_memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__memory_resource/properties.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/__memory_resource/resource_ref.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/latch\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/memory_resource\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/version\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/cuda/pipeline\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nv/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nv/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nv/detail/__target_macros\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nv/detail/__preprocessor\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdpar/nv/target\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cudadevice.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vldqintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512ifmaintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/_cplus_nvcc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/curand.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cmath\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ISO_Fortran_binding.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/algorithm\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/xsaveintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/serializeintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/immintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/popcntintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ia32intrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/pkuintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cusolverdn.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vlcdintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/movdirintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nvf_acc_common.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/clflushoptintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/tr1/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/tr1/special_function_util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cusparse.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vlbf16intrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cooperative_groups.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/__wmmintrin_aes.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/_cuda_preinclude.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vlintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/bmiintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/rdseedintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/rtmintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ptwriteintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ieee_exceptions_la.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cutensor_v2.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/emmintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vlvnniintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/invpcidintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/memory\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/_cplus_macros.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/pgi_acc_prof.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cufftxt.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/accel_lib.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512bitalgintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512bwintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/omp_lib.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/gfniintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/xsavesintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ieee_arithmetic_la.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/xsavecintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ammintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vbmi2intrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cutensorex.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/xopintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1684_bits/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1684_bits/mdarray.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/linalg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/conjugate_if_needed.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/packed_layout.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/transposed.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/README.md\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas3_matrix_rank_2k_update_nvhpc.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/linalg_execpolicy_mapper.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/nvhpc_helper.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas3_matrix_rank_k_update_nvhpc.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas3_matrix_product_nvhpc.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_add_nvhpc.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_vector_idx_abs_max.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/layout_tags.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/helper.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_scale.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_dot.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas3_matrix_rank_k_update.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_linalg_add.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_vector_sum_of_squares.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/layout_blas_general.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/nvhpc_datatypes.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas3_matrix_rank_2k_update.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas3_matrix_product.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_matrix_one_norm.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_matrix_inf_norm.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/nvhpc_settings.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas2_matrix_rank_1_update.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_scale_nvhpc.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/nvhpc_error.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_linalg_copy.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/conjugate_transposed.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/linalg_nvhpc.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/cublas/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/cublas/cublas_wrapper.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/cublas/blas3_matrix_rank_k_update_cublas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/cublas/blas1_copy_cublas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/cublas/blas3_matrix_product_cublas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/cublas/blas1_vector_norm2_cublas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/cublas/helper.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/cublas/blas1_scale_cublas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/cublas/blas2_matrix_vector_solve_cublas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/cublas/blas1_dot_cublas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/cublas/blas3_triangular_matrix_matrix_solve_cublas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/cublas/blas1_add_cublas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/cublas/exec_policy_wrapper_cublas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/cublas/blas3_matrix_rank_2k_update_cublas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/cublas/linalg_cublas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/cublas/blas2_matrix_vector_product_cublas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_linalg_swap.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_copy_nvhpc.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_vector_norm2.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_matrix_frob_norm.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_vector_norm2_nvhpc.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas2_matrix_vector_product_nvhpc.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas2_matrix_vector_solve_nvhpc.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas/blas3_matrix_rank_2k_update_blas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas/blas3_matrix_rank_k_update_blas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas/blas2_matrix_vector_solve_blas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas/blas3_matrix_product_blas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas/helper.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas/blas_wrapper.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas/blas1_copy_blas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas/linalg_blas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas/blas3_triangular_matrix_matrix_solve_blas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas/blas2_matrix_vector_product_blas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas/blas1_vector_norm2_blas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas/blas1_dot_blas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas/blas1_add_blas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas/exec_policy_wrapper_blas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas/blas1_scale_blas.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/nvhpc_par_no_sync.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas2_matrix_vector_solve.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_givens.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/scaled.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/proxy_reference.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas3_triangular_matrix_matrix_solve.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_dot_nvhpc.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas3_triangular_matrix_matrix_solve_nvhpc.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas1_vector_abs_sum.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas2_matrix_vector_product.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/conjugated.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/blas2_matrix_rank_2_update.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/exec_policy_wrapper_nvhpc.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/maybe_static_size.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p1673_bits/layout_triangle.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/mdarray\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/mdspan\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/meta\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/static_array.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/default_accessor.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/compressed_pair.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/type_list.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/config.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/full_extent_t.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/submdspan.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/layout_left.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/layout_right.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/trait_backports.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/no_unique_address.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/mdspan.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/macros.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/standard_layout_static_array.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/extents.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/maybe_static_value.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/layout_stride.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/experimental/__p0009_bits/dynamic_extent.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/clwbintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx2intrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/bmi2intrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vlbwintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/stdatomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/omp_lib_kinds.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/pconfigintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512dqintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cldemoteintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/openacc_curand.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/wmmintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/clzerointrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/accelmath.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ilp64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ilp64/lapacke_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ilp64/lapacke_mangling.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ilp64/f77blas.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ilp64/lapack.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ilp64/lapacke_utils.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ilp64/openblas_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ilp64/cblas.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ilp64/lapacke.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/sgxintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nvhpc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nvhpc/pstl_config.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nvhpc/numeric_execution.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nvhpc/memory_execution.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nvhpc/stdpar_config.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nvhpc/algorithm_execution.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/f16cintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/adxintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/lwpintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vbmiintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/xsaveoptintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/pmmintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/openacc_curand.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/iso_c_binding.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512fp16intrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/x86intrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vpopcntdqvlintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cstdlib\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ieee_exceptions.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/stdlib.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vlvbmi2intrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cudafor_la.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vp2intersectintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nccl.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vlfp16intrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cusolvermp.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nmmintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/tsxldtrkintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/iso_fortran_env.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/smmintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/omp_lib.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/lp64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/lp64/lapacke_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/lp64/lapacke_mangling.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/lp64/f77blas.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/lp64/lapack.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/lp64/lapacke_utils.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/lp64/openblas_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/lp64/cblas.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/lp64/lapacke.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/amxintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512bf16intrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/tgmath.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/pstl/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/pstl/glue_numeric_defs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/pstl/glue_memory_defs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/pstl/glue_algorithm_defs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vlbitalgintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nvtx.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/vpclmulqdqintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ISO_Fortran_binding_1.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/libm.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cudafor_lib.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nvf_cal_comm.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/omp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cublasmp.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/waitpkgintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/numeric\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nvshmem.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cublas_common.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nv/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nv/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nv/detail/__target_macros\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nv/detail/__preprocessor\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nv/target\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/enqcmdintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cudafor_lib_la.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/sort.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/accel.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cusolver_common.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ieee_features.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/mwaitxintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cudaderivedtypes.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vlvp2intersectintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/execution\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avxintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/fma4intrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/openacc_la.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/alloca.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512erintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/lzcntintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cublas_v2.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/_cplus_preinclude.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/nvhpc_nvlamath.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/openacc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/openacc_lib.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/curandex.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/tbmintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512cdintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/accel_lib_la.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/curand_device.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cufft.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/prfchwintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/accel_lib.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/bits/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/bits/alloc_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/bits/floatn.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/bits/link.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/bits/c++config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/bits/alloc_traits_531.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/bits/opt_random.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/openacc.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512pfintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/__wmmintrin_pclmul.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512ifmavlintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cublasxt.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vbmivlintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/fmaintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cublas.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/wbnoinvdintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/acc_prof.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vpopcntdqintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cetintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/ieee_arithmetic.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/mmintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/mm3dnow.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512vnniintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/avx512fintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/openacc_predef.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cudafor.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/lib3f.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/xtestintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/wmma.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/vaesintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/shaintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/omp-tools.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/fxsrintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/xmmintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/cudadevice.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/math.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include/tmmintrin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/share/llvm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/share/llvm/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/share/llvm/bin/llvm-mc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/share/llvm/bin/opt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/share/llvm/bin/llvm-as\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/share/llvm/bin/ld.lld\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/share/llvm/bin/lld\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/share/llvm/bin/llvm-link\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/share/llvm/bin/llc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/license/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/license/LICENSE_LLVM.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/license/LICENSE_ScaLAPACK.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/license/LICENSE_Open_MPI.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/license/LICENSE_OPENMP.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/license/OpenMP_README.md\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/license/CUDA_THIRD_PARTY_LICENSES.pdf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/license/LICENSE_OpenBLAS.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/license/LICENSE.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/license/LICENSE_jemalloc.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/src/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/src/macho_x.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/src/elf_x.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/src/makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/src/pgzip.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/src/pgunzip.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/src/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/src/pgextract.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/prof_acc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/prof_acc/makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/prof_acc/prof_all.mk\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/prof_acc/prof_all.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/include_acc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/include_acc/accel.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/include_acc/openacc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/etc/include_acc/acc_prof.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/README.md\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream_context.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/detail/variant.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/detail/cuda_fwd.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/detail/queue.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/detail/cuda_atomic.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/detail/memory.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/detail/throw_on_cuda_error.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/detail/config.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/multi_gpu_context.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/algorithm_base.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/upon_stopped.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/upon_error.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/common.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/sync_wait.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/start_detached.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/bulk.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/launch.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/split.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/schedule_from.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/then.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/when_all.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/let_xxx.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/reduce.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/ensure_started.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/submit.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/stream/transfer.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/nvexec/nvtx.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/execution.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/functional.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/coroutine.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__run_loop.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__then.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__intrusive_mpsc_queue.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__intrusive_ptr.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__sender_introspection.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__optional.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__bulk.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__shared.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__stop_token.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__read_env.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__utility.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__stopped_as_optional.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__execute.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__completion_signatures.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__senders.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__operation_states.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__on.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__meta.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__variant.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__let.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__receiver_ref.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__ensure_started.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__receiver_adaptor.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__stopped_as_error.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__upon_stopped.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__scope.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__transfer_just.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__awaitable.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__sync_wait.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__connect_awaitable.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__submit.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__env.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__debug.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__intrusive_slist.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__with_awaitable_senders.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__just.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__senders_core.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__tuple.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__sender_adaptor_closure.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__tag_invoke.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__execution_fwd.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__when_all.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__write_env.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__intrusive_queue.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__start_on.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__type_traits.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__schedulers.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__transform_sender.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__domain.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__diagnostics.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__force_include.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__concepts.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__into_variant.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__start_detached.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__receivers.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__basic_sender.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__upon_error.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__transform_completion_signatures.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__schedule_from.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__manual_lifetime.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__split.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__config.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__spin_loop_pause.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__inline_scheduler.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__cpo.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__continue_on.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__as_awaitable.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/__detail/__ranges.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/concepts.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/stdexec/stop_token.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/timed_thread_scheduler.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/on_coro_disposition.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/sequence_senders.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/just_from.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/static_thread_pool.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/task.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/reschedule.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/repeat_effect_until.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/system_context.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/single_thread_context.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/scope.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/sequence.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/create.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/when_any.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/env.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/repeat_n.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/into_tuple.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/variant_sender.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/finally.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/libdispatch_queue.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/trampoline_scheduler.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/timed_scheduler.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/sequence/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/sequence/ignore_all_values.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/sequence/iterate.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/sequence/any_sequence_of.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/sequence/transform_each.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/sequence/empty_sequence.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/any_sender_of.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/start_now.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/linux/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/linux/safe_file_descriptor.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/linux/memory_mapped_region.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/linux/io_uring_context.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/linux/__detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/linux/__detail/safe_file_descriptor.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/linux/__detail/memory_mapped_region.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/__detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/__detail/__system_context_replaceability_api.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/__detail/__numa.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/__detail/__system_context_default_impl_entry.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/__detail/__system_context_default_impl.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/__detail/intrusive_heap.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/__detail/__xorshift.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/__detail/__basic_sequence.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/__detail/__atomic_ref.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/__detail/__atomic_intrusive_queue.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/__detail/__bit_cast.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/__detail/__bwos_lifo_queue.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/materialize.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/at_coroutine_exit.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/on.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/async_scope.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/exec/inline_scheduler.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/tbbexec/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include-stdexec/experimental/tbbexec/tbb_thread_pool.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include_acc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include_acc/nvhpc_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include_acc/nvhpc_cuda_wmma_runtime.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include_acc/nvhpc_cuda_cpp_builtins.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include_acc/nvhpc_omp_runtime.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include_acc/linkstub.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include_acc/nvhpc_utils_runtime.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include_acc/nvhpc_cuda_runtime.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include_acc/nvhpc_cuda_idx_routines.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include_acc/nvhpc_curand_runtime.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include_acc/nvhpc_cuda_complex.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include_acc/nvhpc_declarations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include_acc/nvhpc_nvshmem_runtime.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/cat1/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/cat1/pgcc.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/cat1/nvc.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/cat1/nvfortran.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/cat1/pgfortran.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/cat1/pgf77.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/cat1/nvc++.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/cat1/pgf90.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/cat1/pgf95.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/cat1/pgextract.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/cat1/nvaccelinfo.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/cat1/pgaccelinfo.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/cat1/nvextract.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/cat1/pgc++.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/man1/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/man1/pgcc.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/man1/nvc.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/man1/nvfortran.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/man1/pgfortran.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/man1/pgf77.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/man1/nvc++.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/man1/pgf90.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/man1/pgf95.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/man1/pgextract.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/man1/nvaccelinfo.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/man1/pgaccelinfo.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/man1/nvextract.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/man/man1/pgc++.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/bin/qd-config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/lib/libqd_f_main.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/lib/libqdmod.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/lib/libqd_f_main.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/lib/libqd_f_main.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/lib/libqd.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/lib/libqdmod.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/lib/libqd.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/lib/libqd_f_main.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/lib/libqd.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/lib/libqdmod.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/lib/libqd.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/lib/libqd_f_main.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/lib/libqdmod.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/lib/libqd.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/lib/libqdmod.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/include/qd/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/include/qd/ddmodule.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/include/qd/ddext.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/include/qd/qd_real.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/include/qd/qd_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/include/qd/c_qd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/include/qd/inline.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/include/qd/fpu.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/include/qd/qdmodule.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/include/qd/qd_inline.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/include/qd/c_dd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/include/qd/qdext.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/include/qd/dd_inline.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/include/qd/bits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/include/qd/dd_real.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/share/doc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/share/doc/qd/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/share/doc/qd/qd.pdf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/extras/qd/share/doc/qd/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include_man/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/compilers/include_man/device_new.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/AutoPar/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/AutoPar/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/AutoPar/linpack/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/AutoPar/linpack/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/AutoPar/linpack/second.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/AutoPar/linpack/linpkrd.f\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/AutoPar/matmul/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/AutoPar/matmul/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/AutoPar/matmul/matmul.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/simpleMultiGPU/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/simpleMultiGPU/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/simpleMultiGPU/simpleMultiGPU.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/simpleCUBLAS/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/simpleCUBLAS/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/simpleCUBLAS/simpleCUBLAS.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/blackscholes/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/blackscholes/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/blackscholes/blackscholes.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/blackscholes/blackscholes_routine.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/blackscholes/blackscholes.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/cppIntegration/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/cppIntegration/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/cppIntegration/cppIntegration.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/simpleTemplates/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/simpleTemplates/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/simpleTemplates/simpleTemplates.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/scalarProd/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/scalarProd/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/scalarProd/scalarProd.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/alignedTypes/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/alignedTypes/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/alignedTypes/alignedTypes.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/matrixMul/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/matrixMul/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/matrixMul/matrixMul.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/matrixMul/matrixMul.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/transpose/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/transpose/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/transpose/transpose.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/deviceQuery/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/deviceQuery/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/deviceQuery/deviceQuery.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/vectorAdd/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/vectorAdd/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/vectorAdd/vectorAdd.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/quasirandomGenerator/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/quasirandomGenerator/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/quasirandomGenerator/quasirandomGenerator.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/bandwidthTest/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/bandwidthTest/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/bandwidthTest/bandwidthTest.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/template/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/template/template.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/template/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/bilateralFilter/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/bilateralFilter/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/bilateralFilter/bilateralFilter.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/bilateralFilter/readme.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/transposeNew/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/transposeNew/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/transposeNew/transposeNew.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/MonteCarloMultiGPU/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/MonteCarloMultiGPU/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/MonteCarloMultiGPU/MonteCarloMultiGPU.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/seismic_cpml/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/seismic_cpml/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/seismic_cpml/check.F\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/seismic_cpml/energy32_32_32_150.dat.expd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/seismic_cpml/seismic_PML_Collino_3D_isotropic.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/FDTD3d/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/FDTD3d/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/FDTD3d/FDTD3d.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/FDTD3d/FDTD3d.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/histogram/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/histogram/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/histogram/histogram.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/asyncAPI/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/asyncAPI/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/asyncAPI/asyncAPI.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/reduction/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/reduction/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/src/reduction/reduction.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/include/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/include/helper_cuda_drvapi.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/include/helper_image.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/include/helper_timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/include/exception.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/include/helper_math.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/include/device_helper.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/include/helper_cuda.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/include/helper_string.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/include/argproc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/include/common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/include/helper_cuda_gl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/include/helper_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/include/cuda2acc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/common/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/common/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/common/argproc.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/common/common.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/common/device_helper.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/SDK/common/common.mk\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f2i/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f2i/acc_f2i.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f2i/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f2a/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f2a/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f2a/acc_f2a.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c2a/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c2a/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c2a/acc_c2a.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/nbody/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/nbody/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/nbody/nbodyacc.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/nbody/check.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c3/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c3/acc_c3.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c1/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c1/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c1/acc_c1.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f2/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f2/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f2/acc_f2.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f3a/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f3a/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f3a/acc_f3a.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/nbody2/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/nbody2/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/nbody2/nbodyacc2.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/nbody2/check.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c3i/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c3i/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c3i/acc_c3i.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f1/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f1/acc_f1.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f1/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c3a/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c3a/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c3a/acc_c3a.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c2/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c2/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c2/acc_c2.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f3/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_f3/acc_f3.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c2i/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c2i/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenACC/samples/acc_c2i/acc_c2i.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_oacc_c/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_oacc_c/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_oacc_c/tblasxt.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_oacc_c/tblas1.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_nvcc_cpp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_nvcc_cpp/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_nvcc_cpp/tblasnv1.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_nvcc_cpp/tblasxt.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_oacc_cpp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_oacc_cpp/tblas2.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_oacc_cpp/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_oacc_cpp/tblasxt.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_oacc_cpp/tblasd.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_oacc_ftn/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_oacc_ftn/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_oacc_ftn/tblas3.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_oacc_ftn/tblas4.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_omp_c/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_omp_c/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_omp_c/tblasomp1.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_omp_c/tblasxtomp.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_omp_cpp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_omp_cpp/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_omp_cpp/tblasxtomp.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_omp_cpp/tblasomp2.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_omp_ftn/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_omp_ftn/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_omp_ftn/tblasxtomp.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuBLAS/test_blas_omp_ftn/tblasomp3.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_oacc_cpp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_oacc_cpp/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_oacc_cpp/keys.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_oacc_cpp/tsort6.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_oacc_cpp/tsort7.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_cuf/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_cuf/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_cuf/csort.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_cuf/tsortcuf1.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_cuf/key.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_cuf/tsortcuf2.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_oacc_ftn/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_oacc_ftn/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_oacc_ftn/keys.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_oacc_ftn/tsort3.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_oacc_ftn/tsort4.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/thrust/test_thrust_oacc_ftn/tsort5.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_oacc_cpp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_oacc_cpp/tcusparsec2.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_oacc_cpp/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_oacc_cpp/tcusparsec1.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_oacc_cpp/tcusparsec3.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_omp_ftn/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_omp_ftn/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_omp_ftn/tcusparseomp3.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_omp_ftn/tcusparseomp4.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_omp_cpp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_omp_cpp/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_omp_cpp/tcusparseompc1.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_omp_cpp/tcusparseompc2.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_cuf/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_cuf/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_cuf/tcusparsemv2.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_cuf/tcusparsemv1.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_oacc_ftn/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_oacc_ftn/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_oacc_ftn/tcusparse4.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuSPARSE/test_sparse_oacc_ftn/tcusparse3.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/NCCL/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/NCCL/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/NCCL/test_nccl_all2all_ftn/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/NCCL/test_nccl_all2all_ftn/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/NCCL/test_nccl_all2all_ftn/tncclall2allftn.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_omp_c/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_omp_c/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_omp_c/tcufft2dompc2.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_omp_c/tcufft2dompc1.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_oacc_cpp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_oacc_cpp/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_oacc_cpp/tcufft2dc4.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_oacc_cpp/tcufft2dc3.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_oacc_ftn/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_oacc_ftn/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_oacc_ftn/tcufft2df1.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_oacc_ftn/tcufft2df3.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_oacc_ftn/tcufft2df2.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_omp_cpp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_omp_cpp/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_omp_cpp/tcufft2dompc3.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_omp_cpp/tcufft2dompc5.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_omp_cpp/tcufft2dompc4.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_oacc_c/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_oacc_c/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_oacc_c/tcufft2dc2.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_oacc_c/tcufft2dc1.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_cuf/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_cuf/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_cuf/tfft1.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_cuf/tfft2.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_omp_ftn/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_omp_ftn/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_omp_ftn/tcufft2dompf2.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_omp_ftn/tcufft2dompf1.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuFFT/test_fft_omp_ftn/tcufft2dompf3.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_omp_ftn/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_omp_ftn/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_omp_ftn/trandomp3.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_omp_ftn/trandomp4.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_nvcc_cpp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_nvcc_cpp/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_nvcc_cpp/trandnv1.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_nvcc_cpp/trandnv2.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_oacc_c/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_oacc_c/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_oacc_c/trand8.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_oacc_c/trand7.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_oacc_c/trand6.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_omp_c/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_omp_c/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_omp_c/trandomp6.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_omp_c/trandomp7.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_omp_cpp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_omp_cpp/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_omp_cpp/trandomp7.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_omp_cpp/trandomp6.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_oacc_cpp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_oacc_cpp/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_oacc_cpp/trand8.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_oacc_cpp/trand6.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_oacc_cpp/trand7.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_oacc_ftn/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_oacc_ftn/trand3.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_oacc_ftn/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_oacc_ftn/trand5.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_oacc_ftn/trand4.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_cuf/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_cuf/trand2.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_cuf/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Libraries/cuRAND/test_rand_cuf/trand1.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/F2003/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/F2003/adj3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/F2003/adj3/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/F2003/adj3/adj3.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/F2003/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/F2003/adj1/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/F2003/adj1/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/F2003/adj1/adj1.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/F2003/adj2/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/F2003/adj2/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/F2003/adj2/adj2.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpihello/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpihello/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpihello/mpihello.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpihello/mpihello.f\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpihello/myname.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpptest/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpptest/copy.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpptest/util.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpptest/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpptest/pattern.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpptest/mpptest.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpptest/grph.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpptest/mpe_seq.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpptest/tstauto.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpptest/getopts.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpptest/rate.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpptest/ovlap.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpptest/pair.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/mpptest/gopf.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/copytest/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/copytest/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/copytest/copytest2.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/copytest/duff.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/copytest/copytest.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/buflimit/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/buflimit/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/buflimit/buflimit.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/goptest/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/goptest/util.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/goptest/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/goptest/grph.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/goptest/getopts.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/goptest/rate.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/goptest/gopf.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/samples/goptest/goptest.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/scalapack/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/scalapack/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/scalapack/pdlafchk.f\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/scalapack/LU.dat.8\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/scalapack/pdgetrrv.f\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/scalapack/LU.dat\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/scalapack/pdluinfo.f\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/scalapack/LU.dat.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/scalapack/pdludriver.f\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/scalapack/pmatgeninc.f\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/scalapack/pdmatgen.f\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/MPI/scalapack/pdlaschk.f\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_cuf/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_cuf/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_cuf/eigen_cuf.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_cuf/lu_cuf.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_oacc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_oacc/eigen_oacc.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_oacc/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_oacc/lu_oacc.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_omp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_omp/lu_omp.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_omp/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_omp/eigen_omp.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_managed/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_managed/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_managed/eigen_managed.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_managed/lu_managed.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_fallback/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_fallback/lu_fallback.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/NVLAmath/test_fallback/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/simpleMultiGPU/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/simpleMultiGPU/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/simpleMultiGPU/simpleMultiGPU.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/simpleCUBLAS/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/simpleCUBLAS/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/simpleCUBLAS/simpleCUBLAS.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/cppIntegration/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/cppIntegration/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/cppIntegration/cppIntegration.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/simpleTemplates/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/simpleTemplates/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/simpleTemplates/simpleTemplates.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/scalarProd/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/scalarProd/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/scalarProd/scalarProd.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/alignedTypes/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/alignedTypes/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/alignedTypes/alignedTypes.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/matrixMul/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/matrixMul/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/matrixMul/matrixMul.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/matrixMul/matrixMul.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/transpose/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/transpose/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/transpose/transpose.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/deviceQuery/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/deviceQuery/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/deviceQuery/deviceQuery.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/vectorAdd/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/vectorAdd/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/vectorAdd/vectorAdd.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/quasirandomGenerator/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/quasirandomGenerator/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/quasirandomGenerator/quasirandomGenerator.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/bandwidthTest/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/bandwidthTest/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/bandwidthTest/bandwidthTest.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/template/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/template/template.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/template/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/bilateralFilter/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/bilateralFilter/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/bilateralFilter/bilateralFilter.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/bilateralFilter/readme.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/MonteCarloMultiGPU/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/MonteCarloMultiGPU/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/MonteCarloMultiGPU/MonteCarloMultiGPU.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/seismic_cpml/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/seismic_cpml/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/seismic_cpml/check.F\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/seismic_cpml/energy32_32_32_150.dat.expd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/seismic_cpml/seismic_PML_Collino_3D_isotropic.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/FDTD3d/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/FDTD3d/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/FDTD3d/FDTD3d.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/FDTD3d/FDTD3d.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/histogram/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/histogram/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/histogram/histogram.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/reduction/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/reduction/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/src/reduction/reduction.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/include/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/include/helper_cuda_drvapi.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/include/helper_image.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/include/cuda2mp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/include/helper_timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/include/exception.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/include/helper_math.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/include/device_helper.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/include/helper_cuda.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/include/helper_string.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/include/argproc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/include/common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/include/helper_cuda_gl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/include/helper_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/common/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/common/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/common/argproc.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/common/common.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/common/device_helper.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/SDK/common/common.mk\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_c1/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_c1/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_c1/omploop_c1.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_c2a/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_c2a/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_c2a/omploop_c2a.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/nbody/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/nbody/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/nbody/nbody.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/nbody/check.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f2a/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f2a/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f2a/omploop_f2a.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/nbody2/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/nbody2/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/nbody2/nbody2.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/nbody2/check.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f3meta/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f3meta/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f3meta/omploop_f3a.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f3meta/omploop_f3m.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f3a/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f3a/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f3a/omploop_f3a.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_c2/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_c2/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_c2/omploop_c2.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f1/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f1/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f1/omploop_f1.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_c3meta/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_c3meta/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_c3meta/omploop_c3m.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_c3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_c3/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_c3/omploop_c3.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f2/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f2/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f2/omploop_f2.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f3/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/samples/omploop_f3/omploop_f3.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step4/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step4/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step4/fftpde_4.F\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step0/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step0/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step0/fftpde.F\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step2/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step2/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step2/fftpde_2.F\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step3/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step3/fftpde_3.F\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/expd_results\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step5/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step5/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step5/fftpde_5.F\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/check.F\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step1/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step1/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/fftpde/step1/fftpde_1.F\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/matmul/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/matmul/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/OpenMP/matmul/matmul.F\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/finiteDifference/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/finiteDifference/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/finiteDifference/derivative_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/finiteDifference/finiteDifference.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/finiteDifference/precision_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/sgemm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/sgemm/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/sgemm/sgemm.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/transpose/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/transpose/transpose.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/transpose/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/transpose/transpose1D.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/deviceQuery/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/deviceQuery/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/deviceQuery/deviceQuery.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/cufftTest/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/cufftTest/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/cufftTest/precision_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/cufftTest/cufftTest.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/cufftTest/cufft_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/bandwidthTest/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/bandwidthTest/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/bandwidthTest/bandwidthTest.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/cublasTestSgemm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/cublasTestSgemm/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/cublasTestSgemm/cublasTestSgemm.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/cufkernel/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/cufkernel/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/cufkernel/cufkernel.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/cufinfo/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/cufinfo/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/SDK/cufinfo/cufinfo.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch02/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch02/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch02/memcheck.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch02/initcheck.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch02/accuracy.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch02/fma.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch02/debug.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch02/print.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/appendixC/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/appendixC/sgemmDevice/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/appendixC/sgemmDevice/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/appendixC/sgemmDevice/sgemmDeviceOld.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/appendixC/sgemmDevice/sgemmDevice.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/appendixC/fCallingC/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/appendixC/fCallingC/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/appendixC/fCallingC/zero.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/appendixC/fCallingC/fCallingC.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter6/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter6/finiteDifference/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter6/finiteDifference/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter6/finiteDifference/finiteDifference.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter6/finiteDifference/derivative_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter6/limitingFactor/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter6/limitingFactor/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter6/limitingFactor/limitingFactor.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter6/finiteDifferenceStr/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter6/finiteDifferenceStr/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter6/finiteDifferenceStr/derivativeStr_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter6/finiteDifferenceStr/finiteDifferenceStr.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter6/common/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter6/common/precision_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/transpose.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/constantAttribute.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/parallelism.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/assumedShapeSize.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/spill.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/local.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/sliceTransfer.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/constant.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/stride.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/offset.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/maxSharedMemory.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/parallelismPipeline.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/async.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/loads.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/cufILP.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/fma.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch05/HDtransfer.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/cusparseMV.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/gemmPerf.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/thrust.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/cusparseEx.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/sgemmNew.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/sgemmLegacy.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/cudaforEx.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/cusparseMV_Ex.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/getrfBatched.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/potr.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/matmulTranspose.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/thrust.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/callingC.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/testSort.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/c.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/cutensorContraction.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch07/matmulTC.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/multiblock.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/increment.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/errorHandling.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/asyncError.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/version.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/precision_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/managed.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/managedCUF2.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/deviceQuery.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/multidimCUF.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/multidim.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/explicitInterface.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/precision2_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/managedImplicit.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/pciBusID.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/syncError.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/managedCUF.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch01/increment.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/lights.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/texture.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/sphere.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/cover.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/rgb_m.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/antialias.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/metal.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/triangle.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/diffuse.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/dielectric.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/ray.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/twoSpheres.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/ppmExample.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/normal.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/camera.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch12/defocusBlur.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch09/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch09/pi_shfl.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch09/shflExample.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch09/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch09/accuracy_sum.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch09/compute_pi_performance.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch09/generate_randomnumbers.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch09/compute_pi.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch09/precision_m.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch09/montecarlo_european_option.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch09/pi_lock.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch09/pi_gridGroup.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch09/pi_shared.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch09/testPiGridGroup.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch09/ieee_accuracy.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/fft_derivative/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/fft_derivative/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/fft_derivative/fft_derivative.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/fft_derivative/dp.out.expd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/fft_derivative/sp.out.expd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/fft_test_c2c/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/fft_test_c2c/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/fft_test_c2c/out.expd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/fft_test_c2c/fft_test_c2c.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/exampleOverlapFFT/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/exampleOverlapFFT/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/exampleOverlapFFT/exampleOverlapFFT.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/fft_test_r2c/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/fft_test_r2c/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/fft_test_r2c/out.expd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/fft_test_r2c/fft_test_r2c.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/common/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/common/precision_m.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter7/common/cufft_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/p2pBandwidth/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/p2pBandwidth/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/p2pBandwidth/p2pBandwidth.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/directTransfer/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/directTransfer/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/directTransfer/directTransfer.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/transposeP2P/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/transposeP2P/transposeP2P.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/transposeP2P/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/transposeP2P/timing.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/transposeP2P/wallclock.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/minimal/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/minimal/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/minimal/minimal.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/p2pAccess/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/p2pAccess/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/P2P/p2pAccess/p2pAccess.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/Readme\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/MPI/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/MPI/assignDevice/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/MPI/assignDevice/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/MPI/assignDevice/assignDevice.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/MPI/transposeMPI/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/MPI/transposeMPI/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/MPI/transposeMPI/transposeMPI.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/MPI/transposeMVA/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/MPI/transposeMVA/transposeMVA.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/MPI/transposeMVA/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/MPI/common/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/MPI/common/mpiDeviceUtil.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/MPI/mpiDevices/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/MPI/mpiDevices/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter4/MPI/mpiDevices/mpiDevices.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/parallelism/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/parallelism/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/parallelism/parallelism.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/parallelism/precision_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/sharedExample/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/sharedExample/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/sharedExample/sharedExample.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/cufILP/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/cufILP/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/cufILP/cufILP.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/offsetNstride/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/offsetNstride/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/offsetNstride/offsetNstride.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/offsetNstride/precision_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/local/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/local/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/local/local.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/transpose/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/transpose/transpose.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/transpose/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/cufReduction/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/cufReduction/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/cufReduction/cufReduction.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/pinned/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/pinned/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/pinned/pinned.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/constant/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/constant/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/constant/constant.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/cufKernel/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/cufKernel/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/cufKernel/cufKernel.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/cufKernel2D/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/cufKernel2D/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/cufKernel2D/cufKernel2D.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/async/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/async/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter3/async/async.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/pi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/pi/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/pi/compute_pi.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/mc_european/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/mc_european/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/mc_european/montecarlo_european_option.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/rng_gpu/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/rng_gpu/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/rng_gpu/generate_randomnumbers.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/common/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/common/accuracy_sum.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/common/precision_m.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/common/curand_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/common/ieee_accuracy.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/compute_pi_performance/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/compute_pi_performance/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/compute_pi_performance/compute_pi_performance.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/compute_pi_performance/sum_lock.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter5/compute_pi_performance/sum_gpu.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/shfl.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/cgReverse.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/defaultStreamVarExplicit.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/sharedMultiple.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/smooth.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/differentStreamTypes.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/swap.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/eventSync.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/raceAndAtomicShared.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/pipeline.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/syncthreads.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/raceAndAtomic.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/sharedExample.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/defaultStreamVar.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/ballot.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/twoKernels.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/defaultStream.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/streamSync.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/concurrentKernels.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch04/threadfence.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch11/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch11/ns2d.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch11/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch11/precision_m.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch11/exampleOverlapFFT_nvtx.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch11/fft_derivative.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch11/fft_test_c2c.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch11/poisson.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch11/fft_test_r2c.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch08/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch08/transposeP2P.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch08/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch08/transposeCAMPI.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch08/timing.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch08/assignDevice.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch08/wallclock.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch08/p2pBandwidth.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch08/mpiDevices.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch08/directTransfer.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch08/transposeMPI.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch08/p2pAccess.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch08/minimal.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch08/mpiDeviceUtil.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter2/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter2/limitingFactor/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter2/limitingFactor/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter2/limitingFactor/limitingFactor.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter2/peakBandwidth/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter2/peakBandwidth/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter2/peakBandwidth/peakBandwidth.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch03/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch03/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch03/peakBandwidth.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch03/events.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch03/nvtxAdv2.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch03/effectiveBandwidth.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch03/limitingFactor.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch03/nvtxAuto.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch03/multidim.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch03/nvtxBasic.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch03/nvtxAdv.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/laplace2D.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/union_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/portingDevice.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/laplace2DUse.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/portingAssociate.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/portingBase.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/compactOpt_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/portingDevice_CUDA.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/compact_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/portingManaged_CUDA.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/testCompact.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/test_union.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/portingManagedSent.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/portingDeviceSent.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/laplace2DAssoc.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch06/portingManaged.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/LICENSE.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch10/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch10/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch10/finiteDifference.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch10/derivativeStr_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch10/derivative_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch10/limitingFactor.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch10/finiteDifferenceStr.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch10/precision_m.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/ch10/laplace2D.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter1/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter1/increment/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter1/increment/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter1/increment/increment.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter1/deviceQuery/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter1/deviceQuery/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter1/deviceQuery/deviceQuery.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter1/multidim/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter1/multidim/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter1/multidim/multidim.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter1/increment2/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter1/increment2/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/CUDA-Fortran-Book/chapter1/increment2/increment2.cuf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/README.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/t6.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/wmma7.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/t1.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/wmma5.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/wmma4.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/wmma2.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/t7.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/wmma1.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/t8.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/t5.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/t3.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/t4.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/wmma3.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/wmma8.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/wmma6.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m16n16k16/t2.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/t6.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/wmma7.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/t1.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/wmma5.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/wmma4.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/wmma2.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/t7.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/wmma1.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/t8.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/t5.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/t3.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/t4.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/wmma3.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/wmma8.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/wmma6.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m8n32k16/t2.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/Utils/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/Utils/cuf_macros.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/Utils/check_mod.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/Utils/avx.s\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/Utils/vector_types.F90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/t6.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/wmma7.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/t1.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/wmma5.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/wmma4.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/wmma2.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/t7.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/wmma1.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/t8.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/t5.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/t3.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/t4.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/wmma3.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/wmma8.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/wmma6.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/CUDA-Fortran/TensorCores/m32n8k16/t2.CUF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/mixed_precision/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/mixed_precision/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/mixed_precision/mixed_precision.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/no_sync/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/no_sync/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/no_sync/no_sync.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/cholesky/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/cholesky/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/cholesky/cholesky.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/matrix_product/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/matrix_product/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/matrix_product/matrix_product.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/utils/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/utils/stdblas_utils.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/unsupported_cases/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/unsupported_cases/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/unsupported_cases/unsupported_compile_time.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/stdblas/unsupported_cases/unsupported_run_time.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/jacobi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/jacobi/jacobi.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/saxpy/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/stdpar/saxpy/saxpy.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/examples/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/mpiexec\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/mpif77\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/rcfiles/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/rcfiles/mpitrampolinerc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/rcfiles/mpihpcxcxxrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/rcfiles/mpihpcxexecrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/rcfiles/mpihpcxrunrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/rcfiles/cudaselectrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/rcfiles/persnvirc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/rcfiles/mpihpcxfortrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/rcfiles/mpihpcxccrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/rcfiles/cudatoolkittrampolinerc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/mpirun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/mpicc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/mpicxx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/.mpiccrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/mpic++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/.mpiexecrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/.mpifortrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/mpif90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/.mpirunrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/mpiCC\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/mpifort\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/hpcx/bin/.mpicxxrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/mpi\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/mpiexec\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/mpif77\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/rcfiles/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/rcfiles/mpiopenmpirunrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/rcfiles/mpiopenmpiexecrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/rcfiles/mpiopenmpicxxrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/rcfiles/mpitrampolinerc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/rcfiles/mpiopenmpiccrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/rcfiles/mpiopenmpifortrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/rcfiles/cudaselectrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/rcfiles/persnvirc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/rcfiles/cudatoolkittrampolinerc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/mpirun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/mpicc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/mpicxx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/.mpiccrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/mpic++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/.mpiexecrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/.mpifortrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/mpif90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/.mpirunrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/mpiCC\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/mpifort\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/openmpi4/bin/.mpicxxrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/README.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/sdk/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/sdk/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/sdk/hcoll_sdk.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/sdk/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/sdk/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/sdk/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/sdk/hcoll_sdk.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/sdk/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/bin/hcoll_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_rcache_dummy.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_bcol_ucx_p2p.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_sharp_sharp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_sharp_sharp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_gpu_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_bcol_basesmuma.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_bcol_ptpcoll.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_gpu_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_sharp_sharp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_rcache_dummy.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_mcast_vmc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_bcol_basesmuma.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_rcache_dummy.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_bcol_nccl.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_mcast_rmc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_bcol_ptpcoll.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_rcache_ucs.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_bcol_ucx_p2p.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_mcast_rmc.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_gpu_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_bcol_ptpcoll.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_rcache_ucs.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_mcast_vmc.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_bcol_basesmuma.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_mcast_rmc.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_mcast_vmc.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_bcol_nccl.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_rcache_ucs.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_bcol_nccl.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/hcoll/hmca_bcol_ucx_p2p.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/libocoms.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/libhcoll.so.1.0.9\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/libocoms.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/pkgconfig/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/pkgconfig/hcoll.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/libhcoll.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/libhcoll.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/libhcoll.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/libocoms.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/libocoms.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/lib/libhcoll.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/hcoll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/hcoll/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/hcoll/api/hcoll_version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/hcoll/api/hcoll_dte.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/hcoll/api/hcoll_errors.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/hcoll/api/hcoll_api.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/hcoll/api/hcoll_constants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/hcoll/api/hcoll_runtime_api.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/libocoms_version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/platform/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/platform/ocoms_portable_platform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/platform/ocoms_config_bottom.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/platform/ocoms_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/platform/ocoms_constants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/platform/ocoms_stdint.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/platform/ocoms_config_top.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/datatype/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/datatype/ocoms_datatype_memcpy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/datatype/ocoms_datatype.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/datatype/ocoms_datatype_unpack.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/datatype/ocoms_datatype_checksum.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/datatype/ocoms_datatype_prototypes.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/datatype/ocoms_datatype_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/datatype/ocoms_datatype_pack.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/datatype/ocoms_datatype_cuda.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/datatype/ocoms_convertor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/primitives/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/primitives/align.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/primitives/prefetch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/primitives/hash_string.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/primitives/types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/primitives/ocoms_socket_errno.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/amd64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/amd64/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/amd64/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/ia64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/ia64/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/ia64/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/win32/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/win32/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/win32/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/ia32/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/ia32/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/ia32/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/mips/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/mips/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/mips/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/sparc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/sparc/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/architecture.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/alpha/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/alpha/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/powerpc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/powerpc/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/powerpc/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/arm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/arm/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/arm/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/atomic_impl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/sparcv9/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/sparcv9/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/sparcv9/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/arm64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/arm64/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/sys/arm64/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/threads/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/threads/mutex_unix.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/threads/tsd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/threads/mutex.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/threads/condition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/threads/threads.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/memoryhooks/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/memoryhooks/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/memoryhooks/memory_internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/mca/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/mca/mca.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/mca/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/mca/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/mca/base/mca_base_component_repository.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/ocoms_pointer_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/ocoms_value_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/crc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/arch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/ocoms_info_support.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/fd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/ocoms_rb_tree.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/ocoms_free_list.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/error.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/ocoms_object.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/keyval_parse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/output.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/path.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/argv.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/cmd_line.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/ocoms_graph.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/os_path.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/ocoms_atomic_lifo.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/printf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/ocoms_list.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/ocoms_bitmap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/ocoms_environ.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/include/ocoms/util/ocoms_hash_table.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/share/hcoll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/share/hcoll/help-ompi-common-verbs.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/share/doc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/share/doc/hcoll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/share/doc/hcoll/README.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/share/doc/hcoll/EULA.pdf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/etc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/etc/hcoll_cd_mxm.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/etc/hcoll_2level_uma_cd_ptp.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/etc/hcoll_3level_socket_uma_cd_ptp.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/etc/hcoll_3level_socket_uma_cd_mxm.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/etc/hcoll_2level_uma_mxm.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/etc/hcoll_1level_mcast.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/etc/hcoll_2level_uma_ptp.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/etc/hcoll_2level_mcast.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/etc/hcoll_ptp_only.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/etc/hcoll_mxm_only.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/etc/hcoll_cd_ptp.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/debug/etc/hcoll_2level_uma_cd_mxm.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/bin/hcoll_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_rcache_dummy.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_bcol_ucx_p2p.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_sharp_sharp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_sharp_sharp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_gpu_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_bcol_basesmuma.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_bcol_ptpcoll.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_gpu_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_sharp_sharp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_rcache_dummy.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_mcast_vmc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_bcol_basesmuma.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_rcache_dummy.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_bcol_nccl.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_mcast_rmc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_bcol_ptpcoll.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_rcache_ucs.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_bcol_ucx_p2p.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_mcast_rmc.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_gpu_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_bcol_ptpcoll.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_rcache_ucs.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_mcast_vmc.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_bcol_basesmuma.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_mcast_rmc.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_mcast_vmc.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_bcol_nccl.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_rcache_ucs.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_bcol_nccl.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/hcoll/hmca_bcol_ucx_p2p.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/libocoms.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/libhcoll.so.1.0.9\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/libocoms.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/pkgconfig/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/pkgconfig/hcoll.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/libhcoll.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/libhcoll.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/libhcoll.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/libocoms.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/libocoms.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib/libhcoll.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/lib64\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/hcoll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/hcoll/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/hcoll/api/hcoll_version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/hcoll/api/hcoll_dte.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/hcoll/api/hcoll_errors.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/hcoll/api/hcoll_api.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/hcoll/api/hcoll_constants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/hcoll/api/hcoll_runtime_api.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/libocoms_version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/platform/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/platform/ocoms_portable_platform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/platform/ocoms_config_bottom.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/platform/ocoms_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/platform/ocoms_constants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/platform/ocoms_stdint.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/platform/ocoms_config_top.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/datatype/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/datatype/ocoms_datatype_memcpy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/datatype/ocoms_datatype.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/datatype/ocoms_datatype_unpack.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/datatype/ocoms_datatype_checksum.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/datatype/ocoms_datatype_prototypes.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/datatype/ocoms_datatype_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/datatype/ocoms_datatype_pack.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/datatype/ocoms_datatype_cuda.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/datatype/ocoms_convertor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/primitives/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/primitives/align.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/primitives/prefetch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/primitives/hash_string.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/primitives/types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/primitives/ocoms_socket_errno.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/amd64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/amd64/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/amd64/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/ia64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/ia64/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/ia64/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/win32/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/win32/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/win32/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/ia32/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/ia32/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/ia32/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/mips/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/mips/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/mips/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/sparc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/sparc/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/architecture.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/alpha/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/alpha/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/powerpc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/powerpc/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/powerpc/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/arm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/arm/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/arm/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/atomic_impl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/sparcv9/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/sparcv9/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/sparcv9/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/arm64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/arm64/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/sys/arm64/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/threads/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/threads/mutex_unix.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/threads/tsd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/threads/mutex.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/threads/condition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/threads/threads.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/memoryhooks/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/memoryhooks/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/memoryhooks/memory_internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/mca/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/mca/mca.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/mca/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/mca/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/mca/base/mca_base_component_repository.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/ocoms_pointer_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/ocoms_value_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/crc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/arch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/ocoms_info_support.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/fd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/ocoms_rb_tree.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/ocoms_free_list.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/error.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/ocoms_object.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/keyval_parse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/output.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/path.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/argv.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/cmd_line.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/ocoms_graph.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/os_path.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/ocoms_atomic_lifo.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/printf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/ocoms_list.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/ocoms_bitmap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/ocoms_environ.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/include/ocoms/util/ocoms_hash_table.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/share/hcoll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/share/hcoll/help-ompi-common-verbs.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/share/doc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/share/doc/hcoll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/share/doc/hcoll/README.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/share/doc/hcoll/EULA.pdf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/etc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/etc/hcoll_cd_mxm.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/etc/hcoll_2level_uma_cd_ptp.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/etc/hcoll_3level_socket_uma_cd_ptp.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/etc/hcoll_3level_socket_uma_cd_mxm.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/etc/hcoll_2level_uma_mxm.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/etc/hcoll_1level_mcast.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/etc/hcoll_2level_uma_ptp.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/etc/hcoll_2level_mcast.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/etc/hcoll_ptp_only.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/etc/hcoll_mxm_only.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/etc/hcoll_cd_ptp.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hcoll/etc/hcoll_2level_uma_cd_mxm.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hpcx-prof-init.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hpcx-stack-init.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hpcx-prof-init-ompi.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hpcx-init-ompi.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hpcx-mt-init-ompi.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hpcx-debug-init-ompi.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/OSS_Licenses.pdf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/VERSION\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/bin/ucc_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/libucc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/cmake/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/cmake/ucc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/cmake/ucc/ucc-config.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/cmake/ucc/ucc-config-version.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/cmake/ucc/ucc-targets.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/libucc.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/libucc.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/libucc.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_mc_cpu.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_cl_basic.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_ucp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_mc_cpu.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_mc_cuda.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_sharp.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_mlx5.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_ec_cpu.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_self.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_cl_hier.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_cl_basic.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_shm.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_sharp.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_ec_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_ucp.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_sharp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_nccl.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_ec_cpu.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_nccl.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_shm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_mc_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_cl_hier.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_mc_cpu.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_nccl.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_cl_hier.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_ec_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_mlx5.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_self.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_cl_hier.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_nccl.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_self.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_mc_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_ec_cpu.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_self.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_mc_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_ec_cuda.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_ec_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_mlx5.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_mlx5.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_mc_cpu.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_shm.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_cl_basic.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_self.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_mlx5.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_ec_cuda.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_mc_cpu.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_sharp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_sharp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_ucp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_ec_cpu.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_cl_basic.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_ucp.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_nccl.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_ucp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_cuda.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_cl_hier.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_cl_basic.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_mc_cuda.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_shm.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_cuda.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_tl_shm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/ucc/libucc_ec_cpu.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/lib/libucc.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/include/ucc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/include/ucc/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/include/ucc/api/ucc_version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/include/ucc/api/ucc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/include/ucc/api/ucc_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/debug/include/ucc/api/ucc_status.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/bin/ucc_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/bin/ucc_perftest\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/libucc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/cmake/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/cmake/ucc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/cmake/ucc/ucc-config.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/cmake/ucc/ucc-config-version.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/cmake/ucc/ucc-targets.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/libucc.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/libucc.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/libucc.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_mc_cpu.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_cl_basic.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_ucp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_mc_cpu.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_mc_cuda.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_sharp.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_mlx5.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_ec_cpu.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_self.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_cl_hier.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_cl_basic.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_shm.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_sharp.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_ec_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_ucp.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_sharp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_nccl.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_ec_cpu.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_nccl.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_shm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_mc_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_cl_hier.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_mc_cpu.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_nccl.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_cl_hier.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_ec_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_mlx5.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_self.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_cl_hier.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_nccl.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_self.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_mc_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_ec_cpu.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_self.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_mc_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_ec_cuda.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_ec_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_mlx5.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_mlx5.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_mc_cpu.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_shm.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_cl_basic.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_self.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_mlx5.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_ec_cuda.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_mc_cpu.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_sharp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_sharp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_ucp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_ec_cpu.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_cl_basic.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_ucp.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_nccl.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_ucp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_cuda.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_cl_hier.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_cl_basic.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_mc_cuda.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_shm.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_cuda.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_tl_shm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/ucc/libucc_ec_cpu.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/lib/libucc.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/include/ucc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/include/ucc/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/include/ucc/api/ucc_version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/include/ucc/api/ucc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/include/ucc/api/ucc_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/include/ucc/api/ucc_status.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucc/share/ucc.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/modulefiles/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/modulefiles/hpcx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/modulefiles/hpcx-ompi\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/modulefiles/hpcx-debug-ompi\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/modulefiles/hpcx-mt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/modulefiles/hpcx-stack\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/modulefiles/hpcx-debug\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/modulefiles/hpcx-prof\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/modulefiles/hpcx-prof-ompi\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/modulefiles/hpcx-mt-ompi\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hpcx-debug-init.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hpcx-init.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/OSS_Notices.pdf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hpcx-mt-init.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/bin/ucs_stats_parser\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/bin/io_demo\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/bin/ucx_perftest_daemon\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/bin/ucx_vfs\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/bin/ucx_read_profile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/bin/ucx_perftest\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/bin/ucx_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/cmake/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/cmake/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/cmake/ucx/ucx-config.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/cmake/ucx/ucx-targets.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/cmake/ucx/ucx-config-version.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucs_signal.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucm.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucm.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucs_signal.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucm.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libuct.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucs_signal.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libuct.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libuct.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucs_signal.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/pkgconfig/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/pkgconfig/ucx-fuse.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/pkgconfig/ucx-ib.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/pkgconfig/ucx.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/pkgconfig/ucx-uct.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/pkgconfig/ucx-cma.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/pkgconfig/ucx-xpmem.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/pkgconfig/ucx-ucs.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/pkgconfig/ucx-rdmacm.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucs.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucs.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucs.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucp.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_xpmem.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_cuda_gdrcopy.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_ib.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_cma.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_rdmacm.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libucs_fuse.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_ib.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libucx_perftest_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_rdmacm.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_cuda_gdrcopy.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_cma.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_cuda_gdrcopy.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_rdmacm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_cuda.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libucm_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libucs_fuse.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_rdmacm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libucx_perftest_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libucs_fuse.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libucm_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_xpmem.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_cuda_gdrcopy.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_cma.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libucx_perftest_cuda.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_cuda.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libucm_cuda.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_xpmem.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_ib.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libucx_perftest_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_rdmacm.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libucm_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libucs_fuse.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_cma.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_xpmem.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libucm_cuda.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libucx_perftest_cuda.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_cma.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_ib.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_xpmem.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libucs_fuse.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_ib.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/ucx/libuct_cuda_gdrcopy.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libuct.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libuct.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucs.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucs_signal.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucs.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/lib/libucp.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/uct/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/uct/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/uct/api/uct.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/uct/api/uct_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/uct/api/version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/uct/api/tl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucm/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucm/api/ucm.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/vfs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/vfs/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/vfs/base/vfs_obj.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/vfs/base/vfs_cb.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/algorithm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/algorithm/crc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/algorithm/qsort_r.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/algorithm/string_distance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/debug/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/debug/log_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/debug/memtrack.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/debug/debug.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/memory/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/memory/memory_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/memory/rcache.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/memory/numa.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/memory/memtype_cache.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/aarch64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/aarch64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/aarch64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/x86_64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/x86_64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/x86_64/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/x86_64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/ppc64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/ppc64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/ppc64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/generic/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/generic/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/rv64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/rv64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/arch/rv64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/config/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/config/ini.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/config/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/config/types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/config/parser.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/sys/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/sys/compiler_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/sys/sock.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/sys/topo/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/sys/topo/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/sys/topo/base/topo.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/sys/uid.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/sys/stubs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/sys/string.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/sys/event_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/sys/math.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/sys/preprocessor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/type/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/type/class.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/type/init_once.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/type/param.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/type/spinlock.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/type/thread_mode.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/type/status.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/type/cpu_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/profile/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/profile/profile_defs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/profile/profile_on.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/profile/profile_off.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/time/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/time/time_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/datastruct/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/datastruct/callbackq.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/datastruct/queue_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/datastruct/pgtable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/datastruct/array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/datastruct/string_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/datastruct/list.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/datastruct/mpool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/datastruct/string_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/datastruct/piecewise_func.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/datastruct/mpool_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/datastruct/linear_func.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/datastruct/hlist.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/datastruct/strided_alloc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/datastruct/khash.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/datastruct/callbackq_compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/async/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/async/async_fwd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/stats/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/stats/libstats.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucs/stats/stats_fwd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucp/core/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucp/core/ucp_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucp/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucp/api/ucp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucp/api/ucp_compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucp/api/ucp_version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/include/ucp/api/ucp_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/ucx/examples/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/ucx/examples/uct_hello_world.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/ucx/examples/ucp_hello_world.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/ucx/examples/ucp_util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/ucx/examples/hello_world_util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/ucx/examples/ucp_client_server.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/ucx/perftest/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/ucx/perftest/transports\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/ucx/perftest/msg_pow2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/ucx/perftest/msg_pow2_large\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/ucx/perftest/test_types_uct\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/ucx/perftest/test_types_ucp_amo\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/ucx/perftest/test_types_ucp_rma\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/ucx/perftest/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/share/ucx/perftest/test_types_ucp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/etc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/etc/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/prof/etc/ucx/ucx.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/bin/ucs_stats_parser\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/bin/io_demo\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/bin/ucx_perftest_daemon\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/bin/ucx_vfs\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/bin/ucx_read_profile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/bin/ucx_perftest\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/bin/ucx_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/cmake/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/cmake/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/cmake/ucx/ucx-config.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/cmake/ucx/ucx-targets.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/cmake/ucx/ucx-config-version.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucs_signal.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucm.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucm.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucs_signal.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucm.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libuct.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucs_signal.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libuct.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libuct.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucs_signal.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/pkgconfig/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/pkgconfig/ucx-fuse.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/pkgconfig/ucx-ib.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/pkgconfig/ucx.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/pkgconfig/ucx-uct.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/pkgconfig/ucx-cma.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/pkgconfig/ucx-xpmem.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/pkgconfig/ucx-ucs.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/pkgconfig/ucx-rdmacm.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucs.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucs.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucs.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucp.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_xpmem.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_cuda_gdrcopy.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_ib.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_cma.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_rdmacm.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libucs_fuse.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_ib.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libucx_perftest_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_rdmacm.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_cuda_gdrcopy.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_cma.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_cuda_gdrcopy.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_rdmacm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_cuda.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libucm_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libucs_fuse.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_rdmacm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libucx_perftest_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libucs_fuse.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libucm_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_xpmem.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_cuda_gdrcopy.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_cma.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libucx_perftest_cuda.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_cuda.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libucm_cuda.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_xpmem.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_ib.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libucx_perftest_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_rdmacm.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libucm_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libucs_fuse.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_cma.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_xpmem.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libucm_cuda.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libucx_perftest_cuda.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_cma.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_ib.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_xpmem.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libucs_fuse.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_ib.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/ucx/libuct_cuda_gdrcopy.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libuct.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libuct.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucs.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucs_signal.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucs.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/lib/libucp.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/uct/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/uct/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/uct/api/uct.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/uct/api/uct_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/uct/api/version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/uct/api/tl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucm/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucm/api/ucm.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/vfs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/vfs/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/vfs/base/vfs_obj.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/vfs/base/vfs_cb.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/algorithm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/algorithm/crc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/algorithm/qsort_r.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/algorithm/string_distance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/debug/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/debug/log_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/debug/memtrack.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/debug/debug.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/memory/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/memory/memory_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/memory/rcache.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/memory/numa.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/memory/memtype_cache.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/aarch64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/aarch64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/aarch64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/x86_64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/x86_64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/x86_64/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/x86_64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/ppc64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/ppc64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/ppc64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/generic/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/generic/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/rv64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/rv64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/arch/rv64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/config/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/config/ini.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/config/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/config/types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/config/parser.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/sys/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/sys/compiler_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/sys/sock.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/sys/topo/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/sys/topo/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/sys/topo/base/topo.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/sys/uid.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/sys/stubs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/sys/string.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/sys/event_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/sys/math.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/sys/preprocessor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/type/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/type/class.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/type/init_once.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/type/param.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/type/spinlock.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/type/thread_mode.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/type/status.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/type/cpu_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/profile/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/profile/profile_defs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/profile/profile_on.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/profile/profile_off.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/time/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/time/time_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/datastruct/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/datastruct/callbackq.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/datastruct/queue_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/datastruct/pgtable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/datastruct/array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/datastruct/string_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/datastruct/list.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/datastruct/mpool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/datastruct/string_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/datastruct/piecewise_func.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/datastruct/mpool_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/datastruct/linear_func.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/datastruct/hlist.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/datastruct/strided_alloc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/datastruct/khash.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/datastruct/callbackq_compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/async/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/async/async_fwd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/stats/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/stats/libstats.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucs/stats/stats_fwd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucp/core/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucp/core/ucp_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucp/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucp/api/ucp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucp/api/ucp_compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucp/api/ucp_version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/include/ucp/api/ucp_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/ucx/examples/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/ucx/examples/uct_hello_world.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/ucx/examples/ucp_hello_world.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/ucx/examples/ucp_util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/ucx/examples/hello_world_util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/ucx/examples/ucp_client_server.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/ucx/perftest/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/ucx/perftest/transports\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/ucx/perftest/msg_pow2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/ucx/perftest/msg_pow2_large\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/ucx/perftest/test_types_uct\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/ucx/perftest/test_types_ucp_amo\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/ucx/perftest/test_types_ucp_rma\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/ucx/perftest/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/share/ucx/perftest/test_types_ucp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/etc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/etc/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/debug/etc/ucx/ucx.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/bin/io_demo\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/bin/ucx_perftest_daemon\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/bin/ucx_vfs\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/bin/ucx_read_profile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/bin/ucx_perftest\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/bin/ucx_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/cmake/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/cmake/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/cmake/ucx/ucx-config.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/cmake/ucx/ucx-targets.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/cmake/ucx/ucx-config-version.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucs_signal.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucm.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucm.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucs_signal.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucm.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libuct.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucs_signal.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libuct.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libuct.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucs_signal.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/pkgconfig/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/pkgconfig/ucx-fuse.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/pkgconfig/ucx-ib.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/pkgconfig/ucx.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/pkgconfig/ucx-uct.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/pkgconfig/ucx-cma.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/pkgconfig/ucx-xpmem.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/pkgconfig/ucx-ucs.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/pkgconfig/ucx-rdmacm.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucs.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucs.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucs.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucp.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_xpmem.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_cuda_gdrcopy.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_ib.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_cma.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_rdmacm.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libucs_fuse.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_ib.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libucx_perftest_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_rdmacm.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_cuda_gdrcopy.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_cma.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_cuda_gdrcopy.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_rdmacm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_cuda.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libucm_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libucs_fuse.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_rdmacm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libucx_perftest_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libucs_fuse.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libucm_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_xpmem.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_cuda_gdrcopy.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_cma.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libucx_perftest_cuda.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_cuda.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libucm_cuda.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_xpmem.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_ib.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libucx_perftest_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_rdmacm.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libucm_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libucs_fuse.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_cma.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_xpmem.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libucm_cuda.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libucx_perftest_cuda.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_cma.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_ib.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_xpmem.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libucs_fuse.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_ib.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/ucx/libuct_cuda_gdrcopy.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libuct.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libuct.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucs.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucs_signal.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucs.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/lib/libucp.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/bin/io_demo\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/bin/ucx_perftest_daemon\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/bin/ucx_vfs\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/bin/ucx_read_profile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/bin/ucx_perftest\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/bin/ucx_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/cmake/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/cmake/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/cmake/ucx/ucx-config.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/cmake/ucx/ucx-targets.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/cmake/ucx/ucx-config-version.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucs_signal.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucm.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucm.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucs_signal.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucm.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libuct.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucs_signal.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libuct.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libuct.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucs_signal.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/pkgconfig/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/pkgconfig/ucx-fuse.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/pkgconfig/ucx-ib.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/pkgconfig/ucx.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/pkgconfig/ucx-uct.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/pkgconfig/ucx-cma.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/pkgconfig/ucx-xpmem.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/pkgconfig/ucx-ucs.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/pkgconfig/ucx-rdmacm.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucs.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucs.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucs.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucp.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_xpmem.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_cuda_gdrcopy.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_ib.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_cma.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_rdmacm.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libucs_fuse.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_ib.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libucx_perftest_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_rdmacm.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_cuda_gdrcopy.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_cma.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_cuda_gdrcopy.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_rdmacm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_cuda.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libucm_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libucs_fuse.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_rdmacm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libucx_perftest_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libucs_fuse.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libucm_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_xpmem.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_cuda_gdrcopy.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_cma.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libucx_perftest_cuda.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_cuda.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libucm_cuda.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_xpmem.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_ib.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libucx_perftest_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_rdmacm.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libucm_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libucs_fuse.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_cma.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_xpmem.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libucm_cuda.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libucx_perftest_cuda.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_cma.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_ib.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_xpmem.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libucs_fuse.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_ib.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/ucx/libuct_cuda_gdrcopy.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libuct.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libuct.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucs.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucs_signal.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucs.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/lib/libucp.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/uct/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/uct/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/uct/api/uct.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/uct/api/uct_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/uct/api/version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/uct/api/tl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucm/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucm/api/ucm.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/vfs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/vfs/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/vfs/base/vfs_obj.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/vfs/base/vfs_cb.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/algorithm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/algorithm/crc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/algorithm/qsort_r.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/algorithm/string_distance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/debug/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/debug/log_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/debug/memtrack.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/debug/debug.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/memory/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/memory/memory_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/memory/rcache.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/memory/numa.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/memory/memtype_cache.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/aarch64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/aarch64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/aarch64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/x86_64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/x86_64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/x86_64/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/x86_64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/ppc64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/ppc64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/ppc64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/generic/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/generic/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/rv64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/rv64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/arch/rv64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/config/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/config/ini.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/config/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/config/types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/config/parser.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/sys/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/sys/compiler_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/sys/sock.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/sys/topo/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/sys/topo/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/sys/topo/base/topo.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/sys/uid.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/sys/stubs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/sys/string.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/sys/event_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/sys/math.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/sys/preprocessor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/type/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/type/class.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/type/init_once.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/type/param.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/type/spinlock.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/type/thread_mode.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/type/status.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/type/cpu_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/profile/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/profile/profile_defs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/profile/profile_on.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/profile/profile_off.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/time/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/time/time_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/datastruct/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/datastruct/callbackq.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/datastruct/queue_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/datastruct/pgtable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/datastruct/array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/datastruct/string_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/datastruct/list.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/datastruct/mpool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/datastruct/string_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/datastruct/piecewise_func.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/datastruct/mpool_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/datastruct/linear_func.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/datastruct/hlist.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/datastruct/strided_alloc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/datastruct/khash.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/datastruct/callbackq_compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/async/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/async/async_fwd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/stats/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/stats/libstats.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucs/stats/stats_fwd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucp/core/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucp/core/ucp_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucp/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucp/api/ucp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucp/api/ucp_compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucp/api/ucp_version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/include/ucp/api/ucp_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/ucx/examples/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/ucx/examples/uct_hello_world.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/ucx/examples/ucp_hello_world.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/ucx/examples/ucp_util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/ucx/examples/hello_world_util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/ucx/examples/ucp_client_server.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/ucx/perftest/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/ucx/perftest/transports\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/ucx/perftest/msg_pow2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/ucx/perftest/msg_pow2_large\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/ucx/perftest/test_types_uct\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/ucx/perftest/test_types_ucp_amo\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/ucx/perftest/test_types_ucp_rma\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/ucx/perftest/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/share/ucx/perftest/test_types_ucp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/etc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/etc/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/mt/etc/ucx/ucx.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/uct/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/uct/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/uct/api/uct.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/uct/api/uct_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/uct/api/version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/uct/api/tl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucm/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucm/api/ucm.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/vfs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/vfs/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/vfs/base/vfs_obj.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/vfs/base/vfs_cb.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/algorithm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/algorithm/crc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/algorithm/qsort_r.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/algorithm/string_distance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/debug/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/debug/log_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/debug/memtrack.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/debug/debug.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/memory/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/memory/memory_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/memory/rcache.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/memory/numa.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/memory/memtype_cache.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/aarch64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/aarch64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/aarch64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/x86_64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/x86_64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/x86_64/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/x86_64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/ppc64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/ppc64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/ppc64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/generic/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/generic/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/rv64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/rv64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/arch/rv64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/config/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/config/ini.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/config/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/config/types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/config/parser.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/sys/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/sys/compiler_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/sys/sock.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/sys/topo/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/sys/topo/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/sys/topo/base/topo.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/sys/uid.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/sys/stubs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/sys/string.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/sys/event_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/sys/math.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/sys/preprocessor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/type/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/type/class.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/type/init_once.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/type/param.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/type/spinlock.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/type/thread_mode.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/type/status.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/type/cpu_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/profile/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/profile/profile_defs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/profile/profile_on.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/profile/profile_off.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/time/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/time/time_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/datastruct/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/datastruct/callbackq.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/datastruct/queue_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/datastruct/pgtable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/datastruct/array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/datastruct/string_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/datastruct/list.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/datastruct/mpool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/datastruct/string_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/datastruct/piecewise_func.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/datastruct/mpool_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/datastruct/linear_func.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/datastruct/hlist.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/datastruct/strided_alloc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/datastruct/khash.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/datastruct/callbackq_compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/async/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/async/async_fwd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/stats/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/stats/libstats.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucs/stats/stats_fwd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucp/core/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucp/core/ucp_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucp/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucp/api/ucp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucp/api/ucp_compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucp/api/ucp_version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/include/ucp/api/ucp_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/ucx/examples/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/ucx/examples/uct_hello_world.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/ucx/examples/ucp_hello_world.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/ucx/examples/ucp_util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/ucx/examples/hello_world_util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/ucx/examples/ucp_client_server.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/ucx/perftest/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/ucx/perftest/transports\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/ucx/perftest/msg_pow2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/ucx/perftest/msg_pow2_large\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/ucx/perftest/test_types_uct\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/ucx/perftest/test_types_ucp_amo\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/ucx/perftest/test_types_ucp_rma\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/ucx/perftest/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/share/ucx/perftest/test_types_ucp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/etc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/etc/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ucx/etc/ucx/ucx.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/systemd/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/systemd/system/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/systemd/system/sharp_am.service\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/systemd/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/systemd/system/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/systemd/system/sharp_am.service\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/bin/sharp_hello\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/bin/sharp_cmd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/bin/sharp_am\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/bin/sharp_coll_test\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/bin/sharp_coll_dump_config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libalog.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharprdmacm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharp_coll.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharp_coll.so.5.0.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharp.so.6.1.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharp_coll_gdrcopy_wrapper.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharp_coll_cuda_wrapper.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libalog.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharp_coll_cuda_wrapper.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libam.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharp_coll.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libalog.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharp.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsmx-3.8.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharprdmacm.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libalog.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/pkgconfig/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/pkgconfig/sharp.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsmx.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsmx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharp_coll.so.5\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsmx.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharp_coll_gdrcopy_wrapper.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharp_coll_gdrcopy_wrapper.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharprdmacm-3.8.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharp_coll.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libalog.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharprdmacm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/lib/libsharp_coll_cuda_wrapper.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/sbin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/sbin/sharp_benchmark2.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/sbin/sharp_manager.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/sbin/sharp_funcs.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/sbin/sharp_benchmark.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/sbin/sharp_daemons_setup.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/sbin/sharp.init\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/include/sharp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/include/sharp/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/include/sharp/api/sharp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/include/sharp/api/sharp_coll.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/include/sharp/api/version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/doc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/doc/sharp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/doc/sharp/DeviceConfigurationFile.md\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/doc/sharp/TreesConfigurationFile.md\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/doc/sharp/LICENSE\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/doc/sharp/CHANGELOG.md\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/doc/sharp/SHARP_VERSION\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/doc/sharp/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/sharp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/sharp/examples/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/sharp/examples/mpi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/sharp/examples/mpi/coll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/sharp/examples/mpi/coll/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/sharp/examples/mpi/coll/coll_test.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/sharp/examples/mpi/coll/coll_test_ops.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/sharp/examples/mpi/coll/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/sharp/examples/mpi/coll/coll_test.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/sharp/examples/sharp_hello.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/traps_handler.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/fabric.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/an_config_manager.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/fabric_update.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/am_log.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/lst_parser.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/sharp_job.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/job_manager.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/telemetry_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/time_utils.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/reserved_string.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/agg_tree.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/agg_ib_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/fabric_dump.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/parallel_tree_finder.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/telemetry.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/tree_manager.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/buffer_calc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/fabric_graph.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/agg_node.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/fabric_graph_update.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/sub_tree_info.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/agg_node_fabric_info.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/thread_pool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/sub_tree_score.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/tree_node.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/reservation_manager.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/am_bit_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/command_manager.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/reg_exp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/file_utils.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/fabric_provider.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/traps_queue.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/fd_event_listener.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/fabric_dump_parser.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/amkey_manager.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/option_manager.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/dump_file.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/am_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/am_log_utils.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/event_manager.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/port_data.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/share/locale/agg_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/etc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/etc/sharp_am\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/etc/sharp.init\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/debug/etc/fabric_log_categories.cfg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/bin/sharp_hello\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/bin/sharp_cmd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/bin/sharp_am\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/bin/sharp_coll_test\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/bin/sharp_coll_dump_config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libalog.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharprdmacm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharp_coll.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharp_coll.so.5.0.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharp.so.6.1.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharp_coll_gdrcopy_wrapper.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharp_coll_cuda_wrapper.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libalog.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharp_coll_cuda_wrapper.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libam.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharp_coll.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libalog.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharp.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsmx-3.8.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharprdmacm.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libalog.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/pkgconfig/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/pkgconfig/sharp.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsmx.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsmx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharp_coll.so.5\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsmx.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharp_coll_gdrcopy_wrapper.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharp_coll_gdrcopy_wrapper.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharprdmacm-3.8.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharp_coll.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libalog.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharprdmacm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/lib/libsharp_coll_cuda_wrapper.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/sbin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/sbin/sharp_benchmark2.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/sbin/sharp_manager.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/sbin/sharp_funcs.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/sbin/sharp_benchmark.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/sbin/sharp_daemons_setup.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/sbin/sharp.init\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/include/sharp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/include/sharp/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/include/sharp/api/sharp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/include/sharp/api/sharp_coll.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/include/sharp/api/version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/doc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/doc/sharp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/doc/sharp/DeviceConfigurationFile.md\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/doc/sharp/TreesConfigurationFile.md\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/doc/sharp/LICENSE\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/doc/sharp/CHANGELOG.md\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/doc/sharp/SHARP_VERSION\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/doc/sharp/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/sharp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/sharp/examples/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/sharp/examples/mpi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/sharp/examples/mpi/coll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/sharp/examples/mpi/coll/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/sharp/examples/mpi/coll/coll_test.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/sharp/examples/mpi/coll/coll_test_ops.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/sharp/examples/mpi/coll/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/sharp/examples/mpi/coll/coll_test.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/sharp/examples/sharp_hello.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/traps_handler.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/fabric.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/an_config_manager.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/fabric_update.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/am_log.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/lst_parser.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/sharp_job.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/job_manager.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/telemetry_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/time_utils.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/reserved_string.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/agg_tree.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/agg_ib_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/fabric_dump.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/parallel_tree_finder.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/telemetry.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/tree_manager.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/buffer_calc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/fabric_graph.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/agg_node.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/fabric_graph_update.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/sub_tree_info.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/agg_node_fabric_info.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/thread_pool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/sub_tree_score.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/tree_node.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/reservation_manager.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/am_bit_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/command_manager.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/reg_exp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/file_utils.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/fabric_provider.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/traps_queue.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/fd_event_listener.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/fabric_dump_parser.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/amkey_manager.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/option_manager.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/dump_file.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/am_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/am_log_utils.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/event_manager.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/port_data.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/share/locale/agg_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/etc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/etc/sharp_am\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/etc/sharp.init\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/sharp/etc/fabric_log_categories.cfg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/hpcx-stack-init-ompi.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/nccl_rdma_sharp_plugin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/nccl_rdma_sharp_plugin/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/nccl_rdma_sharp_plugin/lib/libnccl-net.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/nccl_rdma_sharp_plugin/lib/libnccl-net.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/nccl_rdma_sharp_plugin/lib/libnccl-net.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/nccl_rdma_sharp_plugin/lib/libnccl-net.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/nccl_rdma_sharp_plugin/lib/libnccl-net.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/oshc++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/orted\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/mpiexec\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/oshmem_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/mpif77\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/opalcc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/shmemcxx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/mpirun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/shmemc++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/mpicc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/mpicxx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/oshCC\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/profile2mat.pl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/mpic++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/opal_wrapper\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/oshfort\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/mpif90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/mpiCC\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/oshc++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/orted\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/mpiexec\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/oshmem_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/mpif77\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/opalcc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/shmemcxx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/mpirun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/shmemc++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/mpicc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/mpicxx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/oshCC\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/profile2mat.pl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/mpic++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/opal_wrapper\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/oshfort\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/mpif90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/mpiCC\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/shmemCC\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/oshcc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/ompi_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/shmemfort\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/opalc++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/shmemcc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/aggregate_profile.pl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/orte-info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/orte-server\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/ompi-server\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/oshrun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/mpifort\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/ortecc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/orterun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/shmemrun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/ompi-clean\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/oshcxx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/.bin/orte-clean\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/shmemCC\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/oshcc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/ompi_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/shmemfort\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/opalc++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/shmemcc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/aggregate_profile.pl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/orte-info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/orte-server\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/ompi-server\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/oshrun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/mpifort\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/env.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/ortecc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/orterun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/shmemrun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/ompi-clean\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/oshcxx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/bin/orte-clean\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_sm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libscalapack_ilp64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_sm.so.40.30.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_ucx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmpi_usempif08.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libopen-pal.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmpi_usempi_ignore_tkr.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmpi_mpifh.so.40.30.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmpi.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libscalapack_ilp64.so.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_sm.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_dstore.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/ompi_monitoring_prof.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/mpi_f08.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libopen-rte.so.40.30.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmpi_mpifh.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libscalapack_ilp64.so.2.2.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_dstore.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_ucx.so.40.30.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_ompio.so.41.29.4\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libopen-rte.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libopen-rte.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_dstore.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/mpi_f08_interfaces.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmpi_usempi_ignore_tkr.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmpi.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_monitoring.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_monitoring.so.50.20.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmpi_usempif08.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_ompio.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libompitrace.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/ompi_monitoring_prof.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmpi.so.40.30.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libscalapack_lp64.so.2.2.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libscalapack_lp64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/mpi_f08_callbacks.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_monitoring.so.50\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libpmix.so.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_monitoring.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_ucx.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_ompio.so.41\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_ompio.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_cuda.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/mpi_ext.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libscalapack_lp64.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/mpi_f08_interfaces_callbacks.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libscalapack_lp64.so.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_cuda.so.40.30.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pkgconfig/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pkgconfig/ompi-cxx.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pkgconfig/ompi-f90.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pkgconfig/ompi-f77.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pkgconfig/pmix.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pkgconfig/ompi-c.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pkgconfig/opal.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pkgconfig/ompi-fort.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pkgconfig/orte.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pkgconfig/ompi.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/liboshmem.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/mpi.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_ucx.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libopen-pal.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/mpi_f08_types.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libompitrace.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/liboshmem.so.40.30.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_plog_stdfd.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_psec_none.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_ptl_usock.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_gds_hash.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_psquash_native.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_psquash_flex128.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_plog_syslog.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_psensor_heartbeat.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_gds_ds12.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_gds_ds21.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_psensor_file.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_pcompress_zlib.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_bfrops_v20.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_bfrops_v3.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_preg_compress.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_gds_ds12.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_psec_native.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_ptl_tcp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_plog_default.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_preg_native.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_gds_hash.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_ptl_usock.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_preg_compress.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_bfrops_v21.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_psec_native.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_psensor_heartbeat.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_psquash_flex128.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_bfrops_v12.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_bfrops_v3.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_psensor_file.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_pcompress_zlib.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_bfrops_v20.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_plog_stdfd.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_pshmem_mmap.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_gds_ds21.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_plog_default.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_ptl_tcp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_plog_syslog.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_preg_native.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_psquash_native.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_psec_none.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_bfrops_v12.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_pshmem_mmap.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmix/mca_bfrops_v21.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libopen-rte.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libpmix.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmpi_usempi_ignore_tkr.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/mpi_f08_ext.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmpi_usempi_ignore_tkr.so.40.30.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libompitrace.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libompitrace.so.40.30.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmpi_usempif08.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmpi_mpifh.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libpmix.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_ess_slurm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_regx_naive.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_osc_pt2pt.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_ess_hnp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_iof_tool.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_oob_tcp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_pstat_linux.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/libompi_dbg_msgq.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_schizo_orte.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_fcoll_vulcan.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_regx_fwd.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_sharedfp_lockedfile.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_shmem_posix.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_fcoll_two_phase.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_btl_self.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_osc_sm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_memheap_ptmalloc.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_memheap_ptmalloc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_ess_singleton.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_state_orted.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_ess_tool.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_schizo_slurm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_state_hnp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_iof_hnp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_regx_fwd.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_pml_ucx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_btl_tcp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_han.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_memheap_buddy.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_allocator_basic.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rcache_gpusm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_errmgr_default_orted.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_atomic_ucx.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_io_ompio.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_topo_basic.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_libnbc.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_fs_ufs.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rmaps_resilient.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rml_oob.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rmaps_mindist.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_ess_tool.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_pmix_pmix3x.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_filem_raw.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_state_novm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_pml_cm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_pml_monitoring.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_osc_rdma.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_adapt.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_filem_raw.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rcache_grdma.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_pmix_flux.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_pml_ucx.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_io_romio321.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_reachable_weighted.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_state_tool.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_fcoll_dynamic_gen2.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_plm_rsh.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_ras_simulator.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_shmem_posix.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_ucc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_routed_radix.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_scoll_basic.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_self.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_vprotocol_pessimist.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_schizo_flux.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_reachable_netlink.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_inter.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_ess_hnp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_spml_ucx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_schizo_flux.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_hcoll.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_tuned.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_sshmem_sysv.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_libnbc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_btl_smcuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_op_avx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_atomic_basic.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_regx_reverse.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_sm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_inter.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_shmem_mmap.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_adapt.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_pml_cm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_btl_vader.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rtc_hwloc.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_plm_slurm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_crs_none.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_reachable_netlink.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_odls_default.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_errmgr_default_app.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rcache_rgpusm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_fcoll_vulcan.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rmaps_seq.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_btl_sm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_fbtl_posix.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_monitoring.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_compress_bzip.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_osc_pt2pt.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_osc_monitoring.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_scoll_mpi.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_ess_env.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_sshmem_ucx.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_odls_default.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_errmgr_default_hnp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_scoll_basic.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_iof_orted.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rmaps_seq.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_btl_self.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_pml_ob1.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_topo_basic.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_io_romio321.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_op_avx.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_patcher_overwrite.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_sharedfp_individual.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_state_orted.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rcache_gpusm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_routed_binomial.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_io_ompio.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_allocator_bucket.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_atomic_ucx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_grpcomm_direct.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_osc_ucx.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_state_hnp.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_fcoll_individual.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_osc_monitoring.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rtc_hwloc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_sharedfp_sm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rcache_grdma.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_vprotocol_pessimist.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_ess_slurm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_odls_pspawn.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_han.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_bml_r2.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_odls_pspawn.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_self.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_shmem_sysv.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_atomic_basic.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_schizo_ompi.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_iof_hnp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rml_oob.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_scoll_mpi.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_state_tool.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rmaps_round_robin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_basic.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_plm_isolated.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_mpool_hugepage.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_grpcomm_direct.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_monitoring.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_sshmem_mmap.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_mpool_hugepage.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_scoll_ucc.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_pmix_pmix3x.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_pstat_linux.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_errmgr_default_tool.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_hcoll.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_schizo_jsm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_bml_r2.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rmaps_resilient.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_pmix_isolated.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_ess_pmi.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_ras_slurm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_pml_ob1.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_routed_radix.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_spml_ucx.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_ess_env.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_ess_pmi.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_routed_binomial.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_plm_slurm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_osc_sm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rmaps_mindist.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_fcoll_individual.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_sshmem_mmap.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_ras_simulator.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_allocator_bucket.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_sync.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rmaps_rank_file.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_sharedfp_individual.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_state_novm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_sm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_errmgr_default_tool.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rmaps_rank_file.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_crs_none.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_regx_reverse.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_patcher_overwrite.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_schizo_ompi.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_osc_rdma.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_sync.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_btl_smcuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_schizo_orte.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_topo_treematch.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_ucc.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_btl_sm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/libompi_dbg_msgq.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_schizo_slurm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_scoll_ucc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_compress_bzip.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_sharedfp_sm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_topo_treematch.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_ess_singleton.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_sshmem_sysv.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_pmix_flux.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_reachable_weighted.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_pmix_isolated.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_regx_naive.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_btl_tcp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_fbtl_posix.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rmaps_round_robin.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rmaps_ppr.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_fcoll_dynamic.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_plm_rsh.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_shmem_sysv.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_sshmem_ucx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_sharedfp_lockedfile.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_iof_orted.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_routed_direct.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_errmgr_default_hnp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_allocator_basic.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_fs_ufs.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_iof_tool.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_fcoll_dynamic.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_btl_vader.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_state_app.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_compress_gzip.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_schizo_jsm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rcache_rgpusm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_oob_tcp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_plm_isolated.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_fcoll_two_phase.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_routed_direct.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_memheap_buddy.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_basic.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_errmgr_default_app.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_tuned.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_errmgr_default_orted.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_rmaps_ppr.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_fcoll_dynamic_gen2.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_pml_monitoring.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_osc_ucx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_shmem_mmap.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_coll_cuda.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_state_app.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_ras_slurm.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/openmpi/mca_compress_gzip.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_dstore.so.1.0.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libopen-pal.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/liboshmem.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libscalapack_ilp64.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/liboshmem.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libscalapack.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmca_common_sm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libscalapack.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libpmix.so.2.2.35\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/pmpi_f08_interfaces.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmpi_mpifh.la\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmpi_usempif08.so.40.30.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libmpi.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/lib/libopen-pal.so.40.30.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_latency\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_oshm_put_overlap\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_iallreduce\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_allreduce\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_ireduce_scatter_block\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_oshm_put_nb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_oshm_barrier\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_put_latency\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_latency_mt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_ialltoall\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_ireduce\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_neighbor_allgatherv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_scatterv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_reduce_scatter\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_ineighbor_allgatherv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_ineighbor_alltoall\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_alltoall\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_put_bw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_bcast\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_latency_mp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_iallgatherv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_ineighbor_alltoallv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_scatter\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_multi_lat\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_oshm_broadcast\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_oshm_put\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_alltoallv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_igatherv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_neighbor_alltoall\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_neighbor_alltoallv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_ibarrier\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_acc_latency\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_get_bw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_gatherv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_iscatter\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_oshm_reduce\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_oshm_get_mr_nb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_hello\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_ireduce_scatter\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_oshm_collect\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_bw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_ineighbor_allgather\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_oshm_put_mr_nb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_bw_persistent\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_ialltoallw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_neighbor_allgather\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_allgatherv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_fop_latency\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_barrier\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_reduce\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_oshm_get_nb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_mbw_mr\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_gather\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_igather\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_ineighbor_alltoallw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_get_acc_latency\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_bw_fan_in\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_allgather\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_iallgather\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_bw_fan_out\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_oshm_fcollect\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_alltoallw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_oshm_atomics\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_get_latency\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_reduce_scatter_block\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_oshm_get\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_ibcast\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_ialltoallv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_bibw_persistent\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_oshm_put_mr\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_init\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_neighbor_alltoallw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_put_bibw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_bibw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_iscatterv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_cas_latency\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks/osu_latency_persistent\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/oshmem_shmalloc.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/oshmem_max_reduction.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/ring_cxx.cc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/ring_oshmem_c.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/spc_example.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/ring_oshmemfh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/Makefile.include\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/ring_oshmemfh.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/hello_cxx.cc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/Ring.java\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/hello_oshmem\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/ring_usempi.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/hello_oshmem_cxx.cc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/hello_mpifh.f\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/oshmem_shmalloc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/ring_usempi\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/oshmem_circular_shift.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/oshmem_symmetric_data.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/hello_c.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/oshmem_symmetric_data\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/hello_usempi.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/ring_mpifh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/oshmem_max_reduction\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/oshmem_strided_puts.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/ring_c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/hello_usempif08.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/hello_oshmemfh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/ring_mpifh.f\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/Hello.java\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/hello_oshmemcxx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/ring_c.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/oshmem_strided_puts\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/ring_oshmem\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/hello_usempi\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/ring_usempif08.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/hello_mpifh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/hello_oshmem_c.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/dtrace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/dtrace/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/dtrace/partrace.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/dtrace/mpitrace.d\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/dtrace/mpicount.d\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/dtrace/mpicommleak.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/dtrace/myppriv.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/dtrace/mpitruss.d\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/dtrace/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/dtrace/mpicommcheck.d\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/connectivity_c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/hello_oshmemfh.f90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/spc_example\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/hello_c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/ring_usempif08\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/connectivity_c.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/hello_usempif08\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/examples/oshmem_circular_shift\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/imb/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/imb/IMB-MPI1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/imb/IMB-IO\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/imb/IMB-RMA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/imb/IMB-EXT\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/imb/IMB-NBC\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_latency\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_iallreduce\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_allreduce\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_ireduce_scatter_block\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_put_latency\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_latency_mt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_ialltoall\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_ireduce\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_neighbor_allgatherv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_scatterv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_reduce_scatter\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_ineighbor_allgatherv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_ineighbor_alltoall\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_alltoall\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_put_bw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_bcast\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_latency_mp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_iallgatherv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_ineighbor_alltoallv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_scatter\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_multi_lat\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_alltoallv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_igatherv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_neighbor_alltoall\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_neighbor_alltoallv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_ibarrier\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_acc_latency\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/get_local_rank\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_get_bw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_gatherv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_iscatter\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_hello\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_ireduce_scatter\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_bw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_ineighbor_allgather\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_bw_persistent\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_ialltoallw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_neighbor_allgather\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_allgatherv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_fop_latency\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_barrier\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_reduce\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_mbw_mr\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_gather\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_igather\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_ineighbor_alltoallw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_get_acc_latency\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_bw_fan_in\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_allgather\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_iallgather\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_bw_fan_out\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_alltoallw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_get_latency\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_reduce_scatter_block\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_ibcast\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_ialltoallv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_bibw_persistent\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_init\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_neighbor_alltoallw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_put_bibw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_bibw\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_iscatterv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_cas_latency\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/tests/osu-micro-benchmarks-cuda/osu_latency_persistent\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix_server.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix_tool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/shmem-compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pshmemx.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/shmem.fh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpif-sentinels.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpif-constants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpif-ext.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmi2.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpif-c-constants-decl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpif-externals.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpif-handles.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openshmem/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openshmem/oshmem/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openshmem/oshmem/constants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openshmem/oshmem/frameworks.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openshmem/oshmem/version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openshmem/oshmem/types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openshmem/oshmem_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpif-io-constants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpi_portable_platform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/server/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/server/pmix_server_ops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/atomic_stdc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/gcc_builtin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/gcc_builtin/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/ia32/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/ia32/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/ia32/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/architecture.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/x86_64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/x86_64/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/x86_64/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/powerpc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/powerpc/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/powerpc/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/arm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/arm/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/arm/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/atomic_impl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/cma.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/arm64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/arm64/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/atomics/sys/arm64/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/hwloc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/hwloc/hwloc-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/event/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/event/pmix_event.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/class/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/class/pmix_bitmap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/class/pmix_list.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/class/pmix_hash_table.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/class/pmix_pointer_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/class/pmix_ring_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/class/pmix_value_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/class/pmix_object.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/class/pmix_hotel.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/client/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/client/pmix_client_ops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/include/pmix_globals.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/include/pmix_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/common/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/common/pmix_iof.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/threads/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/threads/mutex_unix.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/threads/tsd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/threads/mutex.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/threads/thread_usage.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/threads/wait_sync.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/threads/threads.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pcompress/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pcompress/pcompress.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pcompress/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pcompress/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/psquash/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/psquash/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/psquash/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/psquash/psquash.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/psensor/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/psensor/psensor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/psensor/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/psensor/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pinstalldirs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pinstalldirs/pinstalldirs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pinstalldirs/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pinstalldirs/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/ptl/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/ptl/ptl_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/ptl/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/ptl/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/ptl/ptl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pdl/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pdl/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pdl/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pdl/pdl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/common/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/common/dstore/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/common/dstore/dstore_segment.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/common/dstore/dstore_file.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/common/dstore/dstore_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/common/dstore/dstore_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pif/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pif/pif.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pif/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pif/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/mca.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pnet/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pnet/pnet.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pnet/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pnet/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/base/pmix_mca_base_vari.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/base/pmix_mca_base_framework.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/base/pmix_mca_base_component_repository.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/base/pmix_mca_base_var.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/base/pmix_mca_base_var_enum.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/base/pmix_mca_base_var_group.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/preg/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/preg/preg.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/preg/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/preg/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/preg/preg_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/gds/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/gds/gds.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/gds/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/gds/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/bfrops/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/bfrops/bfrops_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/bfrops/bfrops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/bfrops/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/bfrops/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/plog/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/plog/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/plog/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/plog/plog.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pshmem/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pshmem/pshmem.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pshmem/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/pshmem/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/psec/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/psec/psec.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/psec/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/mca/psec/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/os_dirpath.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/getid.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/crc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/hash.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/context_fns.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/show_help.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/fd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/net.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/error.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/parse_options.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/keyval_parse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/strnlen.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/output.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/name_fns.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/alfg.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/path.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/argv.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/cmd_line.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/basename.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/os_path.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/pmix_environ.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/pif.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/printf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/timings.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/show_help_lex.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/few.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/util/pmix_pty.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/runtime/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/runtime/pmix_progress_threads.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix/src/runtime/pmix_rte.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpif.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpi-ext.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/shmem.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix_extend.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pshmem.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpif-sizeof.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal_stdint.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/info/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/info/info.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/proc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/proc/proc_group_cache.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/proc/proc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/shmem/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/shmem/shmem_api_logger.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/shmem/shmem_lock.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/shmem/fortran/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/shmem/fortran/prototypes_shmem.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/shmem/fortran/bindings.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/shmem/fortran/shmem_fortran_pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/shmem/fortran/profile/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/shmem/fortran/profile/pbindings.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/shmem/fortran/profile/defines.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/shmem/fortran/profile/prototypes_pshmem.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/shmem/c/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/shmem/c/profile/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/shmem/c/profile/defines.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/memheap/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/memheap/memheap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/memheap/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/memheap/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/spml/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/spml/spml.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/spml/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/spml/base/spml_base_putreq.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/spml/base/spml_base_atomicreq.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/spml/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/spml/base/spml_base_request_dbg.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/spml/base/spml_base_request.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/spml/base/spml_base_getreq.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/scoll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/scoll/scoll.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/scoll/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/scoll/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/atomic/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/atomic/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/atomic/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/atomic/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/sshmem/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/sshmem/sshmem.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/sshmem/sshmem_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/sshmem/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/sshmem/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/mca/mca.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/request/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/request/request.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/request/request_dbg.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/util/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/util/oshmem_util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/runtime/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/runtime/runtime.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/runtime/oshmem_shmem_preconnect.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/runtime/params.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/runtime/oshmem_info_support.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/op/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/oshmem/op/op.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal_config_top.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/mpiext/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/mpiext/mpiext_cuda_c.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/mpiext/mpiext_pcollreq_c.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/mpiext/mpiext_affinity_c.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/mpiext/pmpiext_pcollreq_c.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/mpiext/mpiext_pcollreq_mpifh.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal_config_bottom.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/orted/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/orted/orted_submit.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/orted/pmix/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/orted/pmix/pmix_server.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/orted/pmix/pmix_server_internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/orted/orted.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/constants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/frameworks.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/regx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/regx/regx.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/regx/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/regx/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/filem/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/filem/filem.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/filem/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/filem/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/errmgr/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/errmgr/errmgr.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/errmgr/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/errmgr/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/errmgr/base/errmgr_private.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/odls/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/odls/odls.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/odls/odls_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/odls/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/odls/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/odls/base/odls_private.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/snapc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/snapc/snapc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/snapc/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/snapc/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/plm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/plm/plm.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/plm/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/plm/base/plm_private.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/plm/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/plm/plm_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/rtc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/rtc/rtc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/rtc/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/rtc/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/grpcomm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/grpcomm/grpcomm.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/grpcomm/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/grpcomm/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/sstore/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/sstore/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/sstore/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/sstore/sstore.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/rml/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/rml/rml_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/rml/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/rml/base/rml_contact.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/rml/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/rml/rml.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/routed/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/routed/routed_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/routed/routed.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/routed/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/routed/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/mca.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/ess/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/ess/ess.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/ess/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/ess/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/oob/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/oob/oob.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/oob/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/oob/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/iof/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/iof/iof.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/iof/iof_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/iof/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/iof/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/iof/base/iof_base_setup.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/state/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/state/state_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/state/state.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/state/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/state/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/state/base/state_private.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/schizo/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/schizo/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/schizo/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/schizo/schizo.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/rmaps/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/rmaps/rmaps_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/rmaps/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/rmaps/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/rmaps/base/rmaps_private.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/rmaps/rmaps.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/ras/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/ras/ras.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/ras/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/ras/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/mca/ras/base/ras_private.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/session_dir.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/listener.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/pre_condition_transports.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/context_fns.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/show_help.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/comm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/comm/comm.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/parse_options.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/error_strings.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/hostfile/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/hostfile/hostfile_lex.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/hostfile/hostfile.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/name_fns.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/compress.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/attr.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/proc_info.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/dash_host/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/dash_host/dash_host.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/threads.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/util/hnp_contact.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/runtime/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/runtime/orte_locks.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/runtime/orte_data_server.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/runtime/runtime.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/runtime/runtime_internals.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/runtime/orte_globals.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/runtime/orte_wait.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/runtime/data_type_support/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/runtime/data_type_support/orte_dt_support.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/runtime/orte_cr.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/runtime/orte_quit.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/orte/runtime/orte_info_support.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/align.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/datatype/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/datatype/opal_datatype_cuda.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/datatype/opal_datatype_internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/datatype/opal_datatype_prototypes.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/datatype/opal_datatype.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/datatype/opal_datatype_unpack.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/datatype/opal_datatype_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/datatype/opal_convertor_internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/datatype/opal_convertor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/datatype/opal_datatype_memcpy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/datatype/opal_datatype_checksum.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/datatype/opal_datatype_pack.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/dss/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/dss/dss_internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/dss/dss_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/dss/dss.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/constants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/class/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/class/opal_pointer_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/class/opal_rb_tree.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/class/opal_hotel.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/class/opal_object.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/class/opal_bitmap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/class/opal_interval_tree.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/class/opal_fifo.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/class/opal_graph.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/class/opal_free_list.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/class/opal_tree.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/class/opal_list.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/class/opal_ring_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/class/opal_value_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/class/opal_lifo.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/class/opal_hash_table.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/opal_socket_errno.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/prefetch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/sync_builtin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/sync_builtin/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/gcc_builtin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/gcc_builtin/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/ia32/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/ia32/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/ia32/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/architecture.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/x86_64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/x86_64/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/x86_64/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/powerpc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/powerpc/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/powerpc/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/arm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/arm/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/arm/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/atomic_impl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/cma.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/sparcv9/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/sparcv9/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/sparcv9/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/arm64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/arm64/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/sys/arm64/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/frameworks.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/hash_string.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/threads/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/threads/mutex_unix.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/threads/tsd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/threads/mutex.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/threads/condition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/threads/thread_usage.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/threads/wait_sync.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/threads/threads.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/memoryhooks/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/memoryhooks/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/memoryhooks/memory_internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/crs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/crs/crs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/crs/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/crs/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/reachable/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/reachable/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/reachable/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/reachable/reachable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/btl/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/btl/btl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/btl/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/btl/base/btl_base_error.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/btl/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/allocator/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/allocator/allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/allocator/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/allocator/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/if/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/if/if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/if/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/if/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/timer/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/timer/timer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/timer/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/timer/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/timer/base/timer_base_null.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/patcher/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/patcher/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/patcher/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/patcher/patcher.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/installdirs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/installdirs/installdirs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/installdirs/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/installdirs/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/memcpy/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/memcpy/memcpy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/memcpy/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/memcpy/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/memcpy/base/memcpy_base_default.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/memory/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/memory/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/memory/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/memory/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/memory/base/empty.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/autogen/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/autogen/config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/gl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/rename.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/bitmap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/linux-libnuma.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/nvml.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/linux.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/diff.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/cudart.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/glibc-sched.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/opencl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/plugins.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/intel-mic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/deprecated.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/inlines.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/helper.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/shmem.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/cuda.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/openfabrics-verbs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/export.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/hwloc/distances.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/private/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/private/misc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/private/private.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/private/cpuid-x86.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc/include/private/debug.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc201/hwloc201.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/hwloc-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/hwloc/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/event.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent2022.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/event-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/WIN32-Code/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/WIN32-Code/event2/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/WIN32-Code/event2/event-config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/WIN32-Code/tree.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/bufferevent-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/changelist-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/ht-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/evutil.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/event.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/mm-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/evrpc-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/evrpc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/ratelim-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/log-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/defer-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/opal_rename.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/strlcpy-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/http_compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/dns_compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/http_struct.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/listener.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/bufferevent_struct.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/event_struct.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/event-config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/rpc_struct.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/event.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/rpc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/bufferevent_ssl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/buffer_compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/dns_struct.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/tag.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/bufferevent_compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/event_compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/tag_compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/bufferevent.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/thread.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/rpc_compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/http.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/include/event2/keyvalq_struct.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/evhttp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/util-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/evsignal-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/iocp-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/compat/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/compat/sys/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/compat/sys/queue.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/evthread-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/http-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/ipv6-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/evdns.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/evmap-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/minheap-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/libevent2022/libevent/evbuffer-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/event/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/pstat/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/pstat/pstat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/pstat/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/pstat/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/shmem/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/shmem/shmem_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/shmem/shmem.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/shmem/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/shmem/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/memchecker/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/memchecker/memchecker.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/memchecker/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/memchecker/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/rcache/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/rcache/rgpusm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/rcache/rgpusm/rcache_rgpusm.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/rcache/rcache.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/rcache/gpusm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/rcache/gpusm/rcache_gpusm.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/rcache/grdma/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/rcache/grdma/rcache_grdma.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/rcache/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/rcache/base/rcache_base_vma.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/rcache/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/rcache/base/rcache_base_mem_cb.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/rcache/base/rcache_base_vma_tree.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/pmix/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/pmix/pmix_server.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/pmix/pmix.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/pmix/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/pmix/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/pmix/base/pmix_base_fns.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/pmix/base/pmix_base_hash.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/pmix/pmix_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/compress/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/compress/compress.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/compress/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/compress/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/common/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/common/sm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/common/sm/common_sm.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/common/sm/common_sm_mpool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/common/cuda/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/common/cuda/common_cuda.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/common/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/common/ucx/common_ucx.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/backtrace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/backtrace/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/backtrace/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/backtrace/backtrace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/mca.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/mpool/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/mpool/hugepage/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/mpool/hugepage/mpool_hugepage.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/mpool/mpool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/mpool/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/mpool/base/mpool_base_tree.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/mpool/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/base/mca_base_var_group.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/base/mca_base_vari.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/base/mca_base_component_repository.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/base/mca_base_var_enum.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/base/mca_base_framework.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/base/mca_base_var.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/base/mca_base_pvar.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/dl/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/dl/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/dl/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/mca/dl/dl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/opal_portable_platform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/bipartite_graph_internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/os_dirpath.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/malloc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/crc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/arch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/info_subscriber.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/qsort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/sys_limits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/ethtool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/show_help.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/fd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/bipartite_graph.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/net.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/error.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/opal_getcwd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/uri.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/keyval_parse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/output.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/alfg.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/path.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/argv.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/cmd_line.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/numtostr.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/opal_pty.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/basename.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/os_path.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/printf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/timings.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/proc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/strncpy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/bit_ops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/show_help_lex.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/few.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/opal_environ.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/daemon_init.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/stacktrace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/util/info.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/runtime/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/runtime/opal_info_support.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/runtime/opal_progress_threads.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/runtime/opal_cr.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/runtime/opal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/runtime/opal_progress.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/opal/runtime/opal_params.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/group/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/group/group.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/group/group_dbg.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/info/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/info/info.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/interlib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/interlib/interlib.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/proc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/proc/proc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/message/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/message/message.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/win/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/win/win.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/debuggers/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/debuggers/debuggers.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/debuggers/msgq_interface.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/debuggers/ompi_common_dll_defs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/debuggers/ompi_msgq_dll_defs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/datatype/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/datatype/ompi_datatype.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/datatype/ompi_datatype_internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mpiext/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mpiext/mpiext.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mpi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mpi/tool/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mpi/tool/mpit-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mpi/tool/profile/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mpi/tool/profile/defines.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mpi/fortran/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mpi/fortran/mpif-h/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mpi/fortran/mpif-h/bindings.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mpi/fortran/mpif-h/status-conversion.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mpi/fortran/mpif-h/prototypes_mpi.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mpi/c/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mpi/c/bindings.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/constants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/dpm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/dpm/dpm.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/memchecker.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/class/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/class/ompi_seq_tracker.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/attribute/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/attribute/attribute.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/frameworks.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/peruse/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/peruse/peruse-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/patterns/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/patterns/net/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/patterns/net/netpatterns.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/patterns/net/coll_ops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/patterns/net/netpatterns_knomial_tree.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/patterns/comm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/patterns/comm/coll_ops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/patterns/comm/commpatterns.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/errhandler/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/errhandler/errhandler.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/errhandler/errhandler_predefined.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/errhandler/errcode.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/errhandler/errcode-internal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/communicator/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/communicator/communicator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/communicator/comm_request.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/file/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/file/file.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/fbtl/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/fbtl/fbtl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/fbtl/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/fbtl/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/coll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/coll/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/coll/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/coll/base/coll_base_util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/coll/base/coll_tags.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/coll/base/coll_base_topo.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/coll/base/coll_base_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/coll/coll.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/crcp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/crcp/crcp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/crcp/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/crcp/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/mtl/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/mtl/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/mtl/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/mtl/base/mtl_base_datatype.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/mtl/mtl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/bml/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/bml/bml.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/bml/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/bml/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/bml/base/bml_base_btl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/topo/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/topo/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/topo/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/topo/topo.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/io/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/io/io.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/io/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/io/base/io_base_request.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/io/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/common/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/common/ompio/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/common/ompio/common_ompio_print_queue.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/common/ompio/common_ompio_aggregators.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/common/ompio/common_ompio_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/common/ompio/common_ompio_request.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/common/ompio/common_ompio.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/sharedfp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/sharedfp/sharedfp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/sharedfp/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/sharedfp/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/vprotocol/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/vprotocol/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/vprotocol/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/vprotocol/base/vprotocol_base_request.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/vprotocol/vprotocol.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/osc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/osc/osc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/osc/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/osc/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/osc/base/osc_base_obj_convert.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/fcoll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/fcoll/fcoll.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/fcoll/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/fcoll/base/fcoll_base_coll_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/fcoll/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/mca.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/pml/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/pml/pml_constants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/pml/pml.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/pml/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/pml/base/pml_base_bsend.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/pml/base/pml_base_recvreq.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/pml/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/pml/base/pml_base_sendreq.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/pml/base/pml_base_request.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/pml/base/pml_base_request_dbg.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/hook/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/hook/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/hook/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/hook/hook.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/rte/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/rte/orte/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/rte/orte/rte_orte.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/rte/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/rte/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/rte/rte.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/fs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/fs/fs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/fs/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/fs/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/op/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/op/op.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/op/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/op/base/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/mca/op/base/functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/request/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/request/request_default.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/request/grequest.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/request/request.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/request/request_dbg.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/totalview.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/util/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/util/timings.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/runtime/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/runtime/ompi_cr.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/runtime/ompi_spc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/runtime/params.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/runtime/ompi_info_support.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/runtime/mpiruntime.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/op/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/openmpi/ompi/op/op.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpif-io-handles.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpi.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmi.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpp/shmem.fh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpp/shmem.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/mpif-config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/shmemx.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/include/pmix_version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/pmix/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/pmix/help-pmix-psensor-file.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/pmix/pmix-valgrind.supp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/pmix/help-pmix-server.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/pmix/help-pmix-runtime.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/pmix/help-pmix-mca-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/pmix/help-pmix-mca-var.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/pmix/help-pmix-psensor-heartbeat.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/pmix/help-pmix-plog.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/oshCC-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orted.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orterun.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mpool-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/shmemc++-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mpi-common-cuda.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-regex.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-state-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-plm-slurm.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-odls-default.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-ess-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/oshcc-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-shmem-runtime.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/oshcxx-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/mpif77-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/openmpi-valgrind.supp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-rtc-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/shmemCC-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-opal-hwloc-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-opal-shmem-posix.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mpi-errors.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-clean.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-ras-simulator.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-rtc-hwloc.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/ortecc-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-opal-util.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/shmemfort-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-oob-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-odls-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-oshmem-scoll-mpi.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/mpicxx-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/shmemcc-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mpi-coll-cuda.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-runtime.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-pmix-pmix3x.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-rmaps-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-odls-pspawn.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/oshfort-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-rcache-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-opal-runtime.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-info.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/mpicc-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/mpifort-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mca-bml-r2.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mpi-btl-tcp.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mpi-pml-ob1.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-rmaps-md.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mpi-common-sm.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-osc-pt2pt.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/amca-param-sets/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/amca-param-sets/example.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-server.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-plm-rsh.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/opalc++-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mca-hook-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-coll-sync.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-snapc-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-oshmem-info.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-filem-raw.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-oshmem-sshmem.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/opalcc-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/mpic++-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-hostfile.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-oshmem-sshmem-sysv.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/oshc++-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-rmaps-seq.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mpi-runtime.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-rmaps_rank_file.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-pmix-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-opal-wrapper.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mca-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/mpif90-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mpi-btl-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-dash-host.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-oob-tcp.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-opal-timer-linux.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-oshmem-scoll-ucc.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-ras-slurm.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mpi-btl-sm.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/mpiCC-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-opal_info.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mca-coll-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-btl-vader.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mca-var.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-opal-crs-none.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/shmemcxx-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-rmaps-resilient.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mpi-coll-sm.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-opal-shmem-mmap.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mpi-btl-smcuda.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-mpi-api.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-rmaps-rr.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-orte-rmaps-ppr.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-ras-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-plm-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-oshmem-sshmem-mmap.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-opal-shmem-sysv.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-errmgr-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-shmem-api.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/openmpi/help-oshmem-memheap.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/opalcc.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/shmemc++.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/mpiexec.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/ompi-clean.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/oshCC.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/opal_wrapper.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/shmemcc.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/mpif77.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/mpiCC.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/mpirun.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/shmemrun.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/oshrun.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/ompi-server.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/oshc++.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/mpifort.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/orte-server.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/ompi_info.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/oshfort.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/shmemCC.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/oshcxx.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/orted.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/mpic++.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/oshcc.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/mpicxx.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/mpif90.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/shmemfort.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/orterun.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/shmemcxx.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/orte-info.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/mpicc.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/oshmem_info.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/orte-clean.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man1/opalc++.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_get_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Ineighbor_alltoallv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_g.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_broadcast64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Info_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_float_min_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Wait.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Bcast_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Sendrecv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_double_get_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_create_keyval.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Op_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_and_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Wtick.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_wait.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_or_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Group_range_incl.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_add.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_realloc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Error_class.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_get_group.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_inc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_get_true_extent_x.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Gather_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_create_resized.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Cancel.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longdouble_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_iread_at.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_fence.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Group_incl.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Group_range_excl.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Publish_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_iput32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Iallgatherv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_put_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Rget_accumulate.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_global_exit.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_fence.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_delete.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_cvar_handle_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Gather.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_indexed.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Waitany.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_write_at.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_attach.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_add.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Alltoall.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_sum_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_double_fetch.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_unlock.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Send.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_get_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_create_subarray.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Unpublish_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_sync.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Neighbor_allgather_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_set_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_get_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_get_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_finc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Startall.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_spawn.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_wait_until.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_collect32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_flush.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Cart_sub.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_swap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_set_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_udcflush.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Irsend.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_iput.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Raccumulate.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Neighbor_allgather.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Irecv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_lb.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_create_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_get_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_iput.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Get_library_version.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longdouble_min_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_get_true_extent.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_double_swap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Graph_neighbors.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Barrier_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Dist_graph_neighbors_count.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_get64_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_pvar_readreset.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Alltoallw.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_wait_until.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_free_keyval.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Group_rank.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_collect64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_set_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_xor_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_detach.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_close.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_inc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Alltoallv_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_iget.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Info_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Start.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longdouble_g.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Cart_coords.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longdouble_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Ibsend.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Info_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Attr_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_udcflush_line.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_create_f90_real.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_set.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_write_at_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Init_thread.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Neighbor_alltoallv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Isend.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Group_intersection.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_get_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Add_error_string.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_read_at_all_end.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longdouble_get_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/_num_pes.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_remote_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Barrier.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_float_swap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_wait.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_get_position.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_put64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Ireduce_scatter_block.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_read_at_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_max_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Rsend.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_call_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_double_set.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_cswap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_cvar_handle_alloc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Message_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_putmem.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Scan_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Aint_diff.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_cvar_write.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Allgather_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_remote_group.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Op_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Keyval_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/intro_shmem.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_iwrite_at_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_addr_accessible.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/OMPI_Affinity_str.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_p.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Get_address.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Cart_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_get32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Cart_map.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_create_f90_integer.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_cswap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Allgatherv_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_get_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Alltoallv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Errhandler_set.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_put32_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Waitall.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_get_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_wait_until.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Request_get_status.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_float_g.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Reduce_scatter.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_free_keyval.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_enum_get_item.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_set_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_create_indexed_block.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Get_version.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longdouble_iput.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Neighbor_alltoallw.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Op_commutative.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_flush_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_float_get_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Group_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_dup_with_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_get_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_min_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Cart_rank.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Request_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Add_error_class.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_iwrite_at.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Errhandler_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_get_extent_x.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_write_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Errhandler_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Request_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_write.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Unpack_external.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_struct.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Scatterv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Dims_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_max_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_unlock_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_idup.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_set_cache_line_inv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_float_p.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_flush_local.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_create_hindexed.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_cvar_read.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_info_get_version.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Info_env.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Request_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_lock.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Topo_test.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Issend.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Ineighbor_allgather.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Recv_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Rget.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_char_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Query_cuda_support.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_put128_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Status_set_cancelled.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_alltoall32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Neighbor_allgatherv_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Testsome.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_get_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_xor_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Group_union.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_write_ordered_end.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_fadd.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_commit.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_get32_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_pvar_start.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_get_byte_offset.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longdouble_max_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Alloc_mem.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_get16_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_read_all_end.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_fetch.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_create_keyval.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/_my_pe.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Neighbor_alltoall.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Iscatterv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_enum_get_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longdouble_iget.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Free_mem.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Dist_graph_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Info_dup.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_test.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Graph_map.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Status_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_read.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Reduce.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Bsend_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_swap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Rsend_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_sum_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longdouble_put_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_read_shared.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_set_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_float_put_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_flush_local_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_complexf_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_quiet.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_char_p.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_test_inter.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_barrier.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Aint_add.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Scatterv_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_alltoalls64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_cswap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_double_sum_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_finalize.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_compare.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_double_iget.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_put32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Graph_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_wait.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_iread_shared.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Add_error_code.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_float_iget.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_iput64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_sum_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_create_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_create_keyval.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_get_extent.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_contiguous.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Info_delete.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Pack_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_read_at_all_begin.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_iwrite.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_char_get_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Op_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_allocate.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_pvar_handle_alloc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_iread_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_pvar_stop.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_seek_shared.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_complete.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_read_ordered.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_wait_until.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_clear_lock.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_group.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_get128_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_match_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_sum_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_or_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Compare_and_swap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_g.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Info_get_nthkey.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_min_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_category_get_cvars.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_open.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Info_get_nkeys.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Iprobe.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_category_get_categories.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_start.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_fcollect64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_iread_at_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_p.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Send_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Bcast.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_alltoalls32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_put_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_clear_cache_line_inv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Intercomm_merge.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_put16_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Buffer_attach.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_shared_query.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_create_hvector.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_float_set.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_lock_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_category_changed.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_sync.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Gatherv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_write_ordered.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Probe.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_wait_until.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_get_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_clear_cache_inv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_get_contents.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Iallgather.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Mprobe.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Get_elements_x.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_read_at.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Test.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_n_pes.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Abort.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_pvar_get_num.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_get_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Dist_graph_neighbors.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Status_set_elements_x.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Iexscan.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_category_get_num.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_alltoall64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Allgather.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Sendrecv_replace.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_write_all_begin.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_min_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_dup.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_set_lock.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_set_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_wait.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_preallocate.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Rput.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_putmem_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_category_get_pvars.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_put64_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_delete_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_add.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Allreduce_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_getmem.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Status_set_elements.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_put_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Finalize.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_get_atomicity.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_put8_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Igatherv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_vector.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_g.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_pvar_get_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_my_pe.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_create_struct.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_disconnect.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_rank.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_double_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_create_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_iput128.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_align.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_iput.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Group_difference.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmalloc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Op_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Cartdim_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_post.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_get8_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_pvar_session_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_float_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_min_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_put128.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Group_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_create_group.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Info_set.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Unpack.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_iget.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_p.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_read_ordered_end.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Ssend.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_read_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_getmem_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Group_translate_ranks.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Group_excl.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_iget128.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_or_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_delete_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Pack_external.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_finc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_write_ordered_begin.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_float_fetch.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Errhandler_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_wait.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_iwrite_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_set_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Ialltoall.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_call_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Info_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Iscan.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_iget.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_size_x.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Neighbor_alltoall_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Register_datarep.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Lookup_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Ibarrier.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_wait.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_xor_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_double_put_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_finalize.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Group_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Info_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_info_get_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_complexf_sum_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Iscatter.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Grequest_complete.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_call_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_set_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_max_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Scatter_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_join.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Sizeof.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_float_iput.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Dist_graph_create_adjacent.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_fetch.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Reduce_scatter_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Close_port.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Get_elements.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_create_darray.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Ireduce_scatter.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_set.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longdouble_p.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_double_p.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Neighbor_allgatherv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_complexd_sum_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_set.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Ireduce.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Get_count.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_cvar_get_num.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/OpenMPI.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_finc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_init_thread.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_iget.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Reduce_scatter_block.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmemalign.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Initialized.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_delete_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_get_position_shared.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Improbe.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Finalized.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_pvar_reset.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Ineighbor_allgatherv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_fadd.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_pvar_write.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Group_compare.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Allgatherv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Ialltoallv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shfree.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_accept.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_get_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_complexd_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Open_port.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Scan.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Testany.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Buffer_detach.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Message_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_set_view.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_test_lock.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_pvar_handle_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Pack.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Get_accumulate.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Neighbor_alltoallv_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Test_cancelled.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_get_group.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Group_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_set_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Status_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_connect.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_free_keyval.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_set_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_swap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Alltoall_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_write_all_end.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Exscan.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_category_get_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Pcontrol.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_char_g.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_double_iput.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Bsend.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_float_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_barrier_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Info_get_valuelen.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Mrecv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Allreduce.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_double_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_float_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_g.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Attr_delete.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Cart_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_iget32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_swap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Ialltoallw.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_float_sum_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_iget64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Alltoallw_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longdouble_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_create_dynamic.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_float_max_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_spawn_multiple.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_get64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Wtime.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_ptr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Recv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Ssend_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_broadcast32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_get_parent.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Reduce_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_read_all_begin.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_create_hindexed_block.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Get_processor_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_ub.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Gatherv_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_get128.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_double_max_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_xor_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Graph_neighbors_count.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_max_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Is_thread_main.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_double_min_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_set_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_and_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Grequest_start.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_set_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Iallreduce.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_split.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_or_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_get_envelope.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_pvar_read.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Intercomm_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Error_string.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_extent.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Accumulate.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_char_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_get_view.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shrealloc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Attr_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Igather.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_char_put_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Waitsome.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_pvar_session_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Neighbor_alltoallw_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_p.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Reduce_scatter_block_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_set_atomicity.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_hindexed.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_seek.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Graph_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_iput.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Address.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_create_f90_complex.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_get_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_get_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_fcollect32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Fetch_and_op.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_iread.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Ineighbor_alltoallw.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_write_at_all_end.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Scatter.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Query_thread.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Pack_external_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_double_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_int_inc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Imrecv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_malloc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Cart_shift.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_hvector.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Graphdims_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/start_pes.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_write_at_all_begin.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_set_cache_inv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/OpenSHMEM.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Testall.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_short_put_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_fadd.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_T_cvar_get_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_pe_accessible.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_get_type_extent.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_iwrite_shared.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_and_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_get_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_write_shared.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_dup.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_read_ordered_begin.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Reduce_local.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPIX_Exscan_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Ibcast.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_double_g.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Type_get_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Ineighbor_alltoall.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_allocate_shared.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Keyval_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_long_and_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_File_get_amode.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Comm_split_type.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/shmem_longlong_fetch.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man3/MPI_Win_set_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man7/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man7/orte_sstore.7\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man7/orte_hosts.7\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man7/opal_crs.7\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man7/orte_snapc.7\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man7/orte_filem.7\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/share/man/man7/ompi_crcp.7\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/etc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/etc/openmpi-default-hostfile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/etc/openmpi-mca-params.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/etc/openmpi-totalview.tcl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/ompi/etc/pmix-mca-params.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/utils/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/utils/mlnx_set_irq_affinity.pl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/utils/mlx5_fwcmd_cache_print.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/utils/hpcx_fix_ladir.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/utils/hpcx_rebuild.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/utils/mlx5_mrcache_print.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/hpcx-2.20/utils/gdbtrace.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/hpcx/latest\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/changelog\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/scripts/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/scripts/install_hydra.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/examples/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/examples/thread-group.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/examples/CMakeLists.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/examples/on-stream.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/examples/collective-launch.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/examples/put-block.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/examples/dev-guide-ring.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/examples/ring-bcast.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/examples/shmem-based-init.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/examples/hello.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/examples/mpi-based-init.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/examples/dev-guide-ring-mpi.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/git_commit.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/COPYRIGHT.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/bin/hydra_pmi_proxy\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/bin/nvshmem-info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/bin/nvshmrun.hydra\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/bin/hydra_persist\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/bin/nvshmrun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/bin/hydra_nameserver\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_transport_libfabric.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/libnvshmem_host.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_transport_libfabric.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/cmake/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/cmake/nvshmem/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/cmake/nvshmem/NVSHMEMTargets.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/cmake/nvshmem/NVSHMEMTargets-noconfig.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/cmake/nvshmem/NVSHMEMVersion.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/cmake/nvshmem/NVSHMEMConfig.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmix.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibgda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibrc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmi2.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_uid.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_mpi.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/libnvshmem.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmi2.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibdevx.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmi.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibrc.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmix.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmi2.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/libnvshmem_host.so.3.0.7\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_transport_libfabric.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ucx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmi.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_mpi.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_mpi.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmi.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_uid.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibgda.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibgda.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_shmem.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ucx.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/libnvshmem_device.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/libnvshmem_host.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ucx.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibdevx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_uid.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibrc.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibdevx.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_shmem.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmix.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_shmem.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/NVSHMEM-SLA.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/version.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/nvshmemx.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/bootstrap_device_host/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/bootstrap_device_host/nvshmem_uniqueid.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/device_host_transport/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/device_host_transport/nvshmem_common_ibgda.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/device_host_transport/nvshmem_constants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/device_host_transport/nvshmem_common_transport.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/nvshmem_build_options.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/nvshmemx_error.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/nvshmem_version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/coll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/coll/barrier.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/coll/alltoall.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/coll/fcollect.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/coll/utils.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/coll/defines.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/coll/reduce.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/coll/broadcast.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/wait/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/wait/nvshmemi_wait_until_apis.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/pt-to-pt/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/pt-to-pt/nvshmemi_transfer_api.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/pt-to-pt/proxy_device.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/pt-to-pt/ibgda_device.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/pt-to-pt/utils_device.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/threadgroup/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/threadgroup/nvshmemi_common_device_defines.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/common/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/common/nvshmemi_common_device.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/team/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/non_abi/device/team/nvshmemi_team_defines.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/nvshmem.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/device_host/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/device_host/nvshmem_proxy_channel.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/device_host/nvshmem_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/device_host/nvshmem_common.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/device/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/device/nvshmem_defines.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/device/nvshmemx_defines.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/device/nvshmemx_coll_defines.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/device/nvshmemx_collective_launch_apis.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/device/nvshmem_device_macros.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/device/nvshmem_coll_defines.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/host/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/host/nvshmem_macros.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/host/nvshmem_coll_api.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/host/nvshmemx_coll_api.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/host/nvshmemx_api.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/include/host/nvshmem_api.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/mpi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/mpi/bootstrap_mpi.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/uid/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/uid/bootstrap_uid_remap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/uid/bootstrap_uid.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/uid/ncclSocket/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/uid/ncclSocket/ncclsocket_debug.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/uid/ncclSocket/ncclsocket_socket.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/uid/ncclSocket/ncclsocket_utils.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/uid/ncclSocket/ncclsocket_socket.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/uid/ncclSocket/ncclsocket_nccl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/uid/ncclSocket/ncclsocket_checks.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/uid/ncclSocket/ncclsocket_param.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/uid/bootstrap_uid_types.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/shmem/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/shmem/bootstrap_shmem.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/pmix/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/pmix/bootstrap_pmix.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/common/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/common/bootstrap_util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/pmi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/modules/bootstrap/pmi/bootstrap_pmi.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/internal/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/internal/bootstrap_host_transport/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/internal/bootstrap_host_transport/nvshmemi_bootstrap_defines.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/internal/bootstrap_host/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/internal/bootstrap_host/nvshmemi_bootstrap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/host/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/host/bootstrap/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/host/bootstrap/bootstrap.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/bootstrap-plugins/host/bootstrap/bootstrap_loader.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/libfabric/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/libfabric/libfabric.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/libfabric/libfabric.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/ibgda/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/ibgda/ibgda.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/ibrc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/ibrc/ibrc.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/common/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/common/transport_gdr_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/common/transport_mlx5_common.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/common/transport_mlx5_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/common/transport_gdr_common.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/common/transport_ib_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/common/mlx5_prm.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/common/mlx5_ifc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/common/internal/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/common/internal/host_transport/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/common/internal/host_transport/nvshmemi_transport_defines.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/common/internal/host_transport/cudawrap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/common/internal/host_transport/transport.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/common/transport_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/common/transport_ib_common.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/common/transport_common.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/ibdevx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/ibdevx/ibdevx.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/ibdevx/ibdevx.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/ucx/ucx.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/share/nvshmem/src/transport-plugins/ucx/ucx.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/perftest-ib.list\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/perftestRunner.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/CMakeLists.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/perfTestRunnerSlurm.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/common/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/common/atomic_bw_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/common/atomic_ping_pong_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/common/utils.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/common/CMakeLists.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/common/atomic_one_sided_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/common/utils.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/perftestCommon.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/coll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/coll/redmaxloc_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/coll/barrier_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/coll/sync_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/coll/CMakeLists.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/coll/fcollect_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/coll/bcast_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/coll/alltoall_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/coll/reduction_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/coll/coll_test.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/CMakeLists.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_g_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_put_latency.args\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_put_bw.args\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_p_latency.args\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_put_bw.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_put_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_g_latency.args\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/CMakeLists.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_p_bw.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_p_ping_pong_latency.args\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_get_bw.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_put_ping_pong_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_signal_ping_pong_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_p_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_p_ping_pong_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_st_bw.args\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_atomic_ping_pong_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_put_ping_pong_latency.args\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_g_bw.args\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_st_bw.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_put_atomic_ping_pong_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_get_latency.args\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_atomic_ping_pong_latency.args\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_atomic_bw.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_g_bw.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_put_signal_ping_pong_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_get_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_atomic_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_get_bw.args\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/device/pt-to-pt/shmem_p_bw.args\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/alltoall.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/sync_all_on_stream.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/sync_all.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/barrier_all_on_stream.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/reduction_on_stream.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/sync_on_stream.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/CMakeLists.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/barrier.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/fcollect_on_stream.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/barrier_all.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/fcollect.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/broadcast_on_stream.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/alltoall_on_stream.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/barrier_on_stream.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/broadcast.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/sync.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/reduction.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/coll/coll_test.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/CMakeLists.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/pt-to-pt/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/pt-to-pt/latency.args\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/pt-to-pt/CMakeLists.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/pt-to-pt/latency.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/pt-to-pt/stream_latency.args\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/pt-to-pt/bw.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/pt-to-pt/bw.args\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/pt-to-pt/stream_latency.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/init/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/init/malloc.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/host/init/CMakeLists.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nvshmem/perftest/perftest-p2p.list\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/latest\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/oshc++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/orted\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/mpiexec\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/oshmem_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/mpif77\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/shmemcxx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/io_demo\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/mpirun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/shmemc++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/mpicc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/mpicxx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/oshCC\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/mpic++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/opal_wrapper\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/oshfort\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/mpif90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/mpiCC\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/oshc++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/orted\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/mpiexec\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/oshmem_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/mpif77\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/shmemcxx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/mpirun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/shmemc++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/mpicc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/mpicxx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/oshCC\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/mpic++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/opal_wrapper\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/oshfort\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/mpif90\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/mpiCC\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/shmemCC\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/oshcc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/ompi_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/shmemfort\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/shmemcc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/orte-info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/orte-server\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/ompi-server\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/oshrun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/mpifort\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/ortecc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/orterun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/shmemrun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/ompi-clean\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/oshcxx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/.bin/orte-clean\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/ucx_read_profile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/ucx_perftest\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/shmemCC\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/oshcc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/ompi_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/shmemfort\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/shmemcc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/orte-info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/orte-server\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/ompi-server\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/oshrun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/mpifort\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/ucx_info\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/env.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/ortecc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/orterun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/shmemrun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/ompi-clean\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/oshcxx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/bin/orte-clean\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libscalapack_ilp64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libmpi_usempif08.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libmpi_usempi_ignore_tkr.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libmpi_mpifh.so.40.30.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libscalapack_ilp64.so.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libucp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libopen-pal.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libopen-rte.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/mpi_f08.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libopen-rte.so.40.30.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libmpi_mpifh.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/cmake/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/cmake/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/cmake/ucx/ucx-config.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/cmake/ucx/ucx-targets.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/cmake/ucx/ucx-config-version.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libucs_signal.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libucp.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libscalapack_ilp64.so.2.2.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libucm.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libopen-rte.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libompitrace.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libucm.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/mpi_f08_interfaces.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libmpi.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libucs_signal.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libmpi_usempif08.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libompitrace.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libmpi.so.40.30.5\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libscalapack_lp64.so.2.2.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libucm.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libscalapack_lp64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/mpi_f08_callbacks.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libucs_signal.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/mpi_ext.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libuct.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libuct.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libscalapack_lp64.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/mpi_f08_interfaces_callbacks.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libscalapack_lp64.so.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pkgconfig/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pkgconfig/ompi-cxx.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pkgconfig/ompi-f90.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pkgconfig/ompi-f77.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pkgconfig/pmix.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pkgconfig/ucx-ib.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pkgconfig/ucx.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pkgconfig/ucx-uct.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pkgconfig/ucx-cma.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pkgconfig/ompi-c.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pkgconfig/ucx-xpmem.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pkgconfig/ompi-fort.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pkgconfig/ucx-ucs.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pkgconfig/ucx-rdmacm.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pkgconfig/orte.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pkgconfig/ompi.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/liboshmem.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/mpi.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libopen-pal.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/mpi_f08_types.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libompitrace.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/liboshmem.so.40.30.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/liboshmem.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libucs.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libopen-rte.so.40\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libmpi_usempi_ignore_tkr.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/mpi_f08_ext.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libmpi_usempi_ignore_tkr.so.40.30.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libompitrace.so.40.30.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libucs.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libucp.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libmpi_mpifh.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_ib.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_rdmacm.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_ib.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_rdmacm.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_cma.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_rdmacm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_cuda.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libucm_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libucx_perftest_cuda.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libucm_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_xpmem.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_cma.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libucx_perftest_cuda.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_cuda.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libucm_cuda.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_xpmem.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_ib.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libucx_perftest_cuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_rdmacm.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_cma.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_xpmem.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libucm_cuda.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libucx_perftest_cuda.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_cma.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_ib.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/ucx/libuct_xpmem.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libmpi_mpifh.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/openmpi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/openmpi/libompi_dbg_msgq.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/openmpi/libompi_dbg_msgq.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libopen-pal.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libuct.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libmpi_usempif08.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libuct.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libmpi.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/liboshmem.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libscalapack_ilp64.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libscalapack.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libscalapack.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libucs.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libmpi_usempi_ignore_tkr.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/pmpi_f08_interfaces.mod\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libucs_signal.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libucs.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libmpi_usempif08.so.40.30.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libucm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libucp.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libmpi.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/lib/libopen-pal.so.40.30.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/uct/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/uct/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/uct/api/uct.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/uct/api/uct_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/uct/api/version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/uct/api/tl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/shmem-compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/pshmemx.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/shmem.fh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpif-sentinels.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpif-constants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpif-ext.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpif-c-constants-decl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpif-externals.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpif-handles.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucm/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucm/api/ucm.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/openshmem/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/openshmem/oshmem/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/openshmem/oshmem/constants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/openshmem/oshmem/frameworks.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/openshmem/oshmem/version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/openshmem/oshmem/types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/openshmem/oshmem_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpif-io-constants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/vfs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/vfs/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/vfs/base/vfs_obj.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/vfs/base/vfs_cb.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/algorithm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/algorithm/crc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/algorithm/qsort_r.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/algorithm/string_distance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/debug/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/debug/log_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/debug/memtrack.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/debug/debug.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/memory/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/memory/memory_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/memory/rcache.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/memory/memtype_cache.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/arch/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/arch/aarch64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/arch/aarch64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/arch/aarch64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/arch/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/arch/x86_64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/arch/x86_64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/arch/x86_64/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/arch/x86_64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/arch/ppc64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/arch/ppc64/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/arch/ppc64/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/arch/generic/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/arch/generic/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/arch/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/arch/bitops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/config/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/config/ini.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/config/global_opts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/config/types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/config/parser.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/sys/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/sys/compiler_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/sys/sock.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/sys/topo/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/sys/topo/base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/sys/topo/base/topo.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/sys/uid.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/sys/stubs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/sys/string.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/sys/event_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/sys/math.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/sys/preprocessor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/type/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/type/class.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/type/init_once.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/type/param.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/type/spinlock.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/type/thread_mode.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/type/status.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/type/cpu_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/profile/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/profile/profile_defs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/profile/profile_on.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/profile/profile_off.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/time/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/time/time_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/datastruct/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/datastruct/callbackq.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/datastruct/queue_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/datastruct/pgtable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/datastruct/array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/datastruct/string_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/datastruct/array.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/datastruct/list.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/datastruct/mpool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/datastruct/string_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/datastruct/mpool_set.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/datastruct/linear_func.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/datastruct/hlist.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/datastruct/strided_alloc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/datastruct/khash.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/async/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/async/async_fwd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/stats/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/stats/libstats.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucs/stats/stats_fwd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpi_portable_platform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpif.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpi-ext.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/shmem.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucp/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucp/api/ucp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucp/api/ucp_compat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucp/api/ucp_version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/ucp/api/ucp_def.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/pshmem.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpif-sizeof.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/openmpi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/openmpi/mpiext/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/openmpi/mpiext/mpiext_cuda_c.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/openmpi/mpiext/mpiext_pcollreq_c.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/openmpi/mpiext/mpiext_affinity_c.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/openmpi/mpiext/pmpiext_pcollreq_c.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/openmpi/mpiext/mpiext_pcollreq_mpifh.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpif-io-handles.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpi.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpp/shmem.fh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpp/shmem.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/mpif-config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/include/shmemx.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/doc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/doc/LICENSE\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/pmix/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/pmix/help-pmix-psensor-file.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/pmix/pmix-valgrind.supp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/pmix/help-pmix-server.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/pmix/help-pmix-runtime.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/pmix/help-pmix-mca-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/pmix/help-pmix-mca-var.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/pmix/help-pmix-psensor-heartbeat.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/pmix/help-pmix-plog.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/ucx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/ucx/examples/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/ucx/examples/uct_hello_world.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/ucx/examples/ucp_hello_world.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/ucx/examples/ucp_util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/ucx/examples/hello_world_util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/ucx/examples/ucp_client_server.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/ucx/perftest/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/ucx/perftest/transports\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/ucx/perftest/msg_pow2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/ucx/perftest/msg_pow2_large\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/ucx/perftest/test_types_uct\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/ucx/perftest/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/ucx/perftest/test_types_ucp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/oshCC-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orted.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orterun.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mpool-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/shmemc++-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mpi-common-cuda.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-regex.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-state-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-plm-slurm.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-odls-default.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-ess-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/oshcc-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-shmem-runtime.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/oshcxx-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/mpif77-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/openmpi-valgrind.supp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-rtc-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/shmemCC-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-opal-hwloc-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-opal-shmem-posix.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mpi-errors.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-clean.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-ras-simulator.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-rtc-hwloc.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/ortecc-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-opal-util.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/shmemfort-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-oob-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-odls-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-oshmem-scoll-mpi.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/mpicxx-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/shmemcc-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mpi-coll-cuda.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-runtime.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-pmix-pmix3x.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-rmaps-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-odls-pspawn.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/oshfort-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-rcache-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-opal-runtime.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-info.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/mpicc-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/mpifort-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mca-bml-r2.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mpi-btl-tcp.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mpi-pml-ob1.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-rmaps-md.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mpi-common-sm.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-osc-pt2pt.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/amca-param-sets/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/amca-param-sets/example.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-server.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-plm-rsh.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mca-hook-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-coll-sync.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-snapc-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-oshmem-info.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-filem-raw.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-oshmem-sshmem.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/mpic++-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-hostfile.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-oshmem-sshmem-sysv.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/oshc++-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-rmaps-seq.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mpi-runtime.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-rmaps_rank_file.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-pmix-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-opal-wrapper.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mca-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/mpif90-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mpi-btl-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-dash-host.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-oob-tcp.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-opal-timer-linux.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-ras-slurm.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mpi-btl-sm.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/mpiCC-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-opal_info.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mca-coll-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-btl-vader.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mca-var.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-opal-crs-none.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/shmemcxx-wrapper-data.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-rmaps-resilient.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mpi-coll-sm.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-opal-shmem-mmap.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mpi-btl-smcuda.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-mpi-api.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-rmaps-rr.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-orte-rmaps-ppr.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-ras-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-plm-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-oshmem-sshmem-mmap.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-opal-shmem-sysv.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-errmgr-base.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-shmem-api.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/openmpi/help-oshmem-memheap.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/shmemc++.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/mpiexec.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/ompi-clean.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/oshCC.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/opal_wrapper.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/shmemcc.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/mpif77.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/mpiCC.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/mpirun.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/shmemrun.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/oshrun.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/ompi-server.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/oshc++.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/mpifort.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/orte-server.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/ompi_info.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/oshfort.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/shmemCC.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/oshcxx.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/orted.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/mpic++.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/oshcc.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/mpicxx.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/mpif90.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/shmemfort.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/orterun.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/shmemcxx.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/orte-info.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/mpicc.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/oshmem_info.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man1/orte-clean.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_get_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Ineighbor_alltoallv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_g.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_broadcast64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Info_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_float_min_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Wait.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Bcast_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Sendrecv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_double_get_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_create_keyval.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Op_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_and_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Wtick.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_wait.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_or_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Group_range_incl.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_add.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_realloc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Error_class.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_get_group.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_inc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_get_true_extent_x.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Gather_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_create_resized.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Cancel.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longdouble_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_iread_at.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_fence.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Group_incl.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Group_range_excl.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Publish_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_iput32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Iallgatherv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_put_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Rget_accumulate.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_global_exit.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_fence.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_delete.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_cvar_handle_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Gather.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_indexed.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Waitany.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_write_at.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_attach.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_add.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Alltoall.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_sum_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_double_fetch.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_unlock.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Send.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_get_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_create_subarray.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Unpublish_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_sync.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Neighbor_allgather_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_set_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_get_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_get_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_finc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Startall.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_spawn.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_wait_until.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_collect32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_flush.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Cart_sub.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_swap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_set_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_udcflush.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Irsend.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_iput.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Raccumulate.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Neighbor_allgather.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Irecv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_lb.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_create_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_get_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_iput.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Get_library_version.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longdouble_min_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_get_true_extent.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_double_swap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Graph_neighbors.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Barrier_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Dist_graph_neighbors_count.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_get64_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_pvar_readreset.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Alltoallw.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_wait_until.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_free_keyval.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Group_rank.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_collect64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_set_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_xor_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_detach.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_close.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_inc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Alltoallv_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_iget.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Info_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Start.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longdouble_g.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Cart_coords.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longdouble_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Ibsend.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Info_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Attr_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_udcflush_line.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_create_f90_real.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_set.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_write_at_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Init_thread.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Neighbor_alltoallv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Isend.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Group_intersection.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_get_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Add_error_string.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_read_at_all_end.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longdouble_get_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/_num_pes.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_remote_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Barrier.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_float_swap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_wait.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_get_position.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_put64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Ireduce_scatter_block.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_read_at_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_max_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Rsend.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_call_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_double_set.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_cswap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_cvar_handle_alloc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Message_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_putmem.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Scan_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Aint_diff.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_cvar_write.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Allgather_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_remote_group.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Op_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Keyval_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/intro_shmem.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_iwrite_at_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_addr_accessible.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/OMPI_Affinity_str.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_p.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Get_address.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Cart_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_get32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Cart_map.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_create_f90_integer.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_cswap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Allgatherv_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_get_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Alltoallv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Errhandler_set.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_put32_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Waitall.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_get_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_wait_until.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Request_get_status.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_float_g.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Reduce_scatter.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_free_keyval.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_enum_get_item.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_set_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_create_indexed_block.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Get_version.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longdouble_iput.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Neighbor_alltoallw.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Op_commutative.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_flush_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_float_get_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Group_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_dup_with_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_get_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_min_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Cart_rank.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Request_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Add_error_class.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_iwrite_at.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Errhandler_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_get_extent_x.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_write_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Errhandler_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Request_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_write.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Unpack_external.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_struct.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Scatterv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Dims_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_max_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_unlock_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_idup.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_set_cache_line_inv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_float_p.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_flush_local.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_create_hindexed.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_cvar_read.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_info_get_version.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Info_env.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Request_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_lock.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Topo_test.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Issend.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Ineighbor_allgather.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Recv_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Rget.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_char_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Query_cuda_support.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_put128_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Status_set_cancelled.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_alltoall32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Neighbor_allgatherv_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Testsome.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_get_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_xor_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Group_union.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_write_ordered_end.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_fadd.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_commit.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_get32_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_pvar_start.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_get_byte_offset.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longdouble_max_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Alloc_mem.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_get16_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_read_all_end.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_fetch.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_create_keyval.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/_my_pe.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Neighbor_alltoall.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Iscatterv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_enum_get_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longdouble_iget.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Free_mem.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Dist_graph_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Info_dup.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_test.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Graph_map.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Status_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_read.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Reduce.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Bsend_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_swap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Rsend_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_sum_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longdouble_put_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_read_shared.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_set_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_float_put_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_flush_local_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_complexf_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_quiet.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_char_p.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_test_inter.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_barrier.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Aint_add.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Scatterv_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_alltoalls64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_cswap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_double_sum_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_finalize.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_compare.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_double_iget.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_put32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Graph_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_wait.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_iread_shared.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Add_error_code.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_float_iget.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_iput64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_sum_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_create_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_create_keyval.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_get_extent.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_contiguous.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Info_delete.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Pack_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_read_at_all_begin.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_iwrite.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_char_get_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Op_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_allocate.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_pvar_handle_alloc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_iread_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_pvar_stop.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_seek_shared.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_complete.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_read_ordered.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_wait_until.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_clear_lock.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_group.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_get128_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_match_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_sum_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_or_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Compare_and_swap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_g.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Info_get_nthkey.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_min_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_category_get_cvars.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_open.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Info_get_nkeys.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Iprobe.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_category_get_categories.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_start.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_fcollect64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_iread_at_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_p.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Send_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Bcast.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_alltoalls32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_put_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_clear_cache_line_inv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Intercomm_merge.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_put16_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Buffer_attach.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_shared_query.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_create_hvector.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_float_set.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_lock_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_category_changed.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_sync.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Gatherv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_write_ordered.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Probe.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_wait_until.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_get_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_clear_cache_inv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_get_contents.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Iallgather.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Mprobe.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Get_elements_x.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_read_at.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Test.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_n_pes.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Abort.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_pvar_get_num.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_get_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Dist_graph_neighbors.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Status_set_elements_x.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Iexscan.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_category_get_num.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_alltoall64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Allgather.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Sendrecv_replace.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_write_all_begin.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_min_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_dup.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_set_lock.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_set_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_wait.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_preallocate.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Rput.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_putmem_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_category_get_pvars.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_put64_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_delete_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_add.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Allreduce_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_getmem.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Status_set_elements.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_put_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Finalize.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_get_atomicity.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_put8_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Igatherv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_vector.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_g.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_pvar_get_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_my_pe.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_create_struct.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_disconnect.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_rank.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_double_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_create_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_iput128.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_align.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_iput.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Group_difference.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmalloc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Op_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Cartdim_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_post.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_get8_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_pvar_session_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_float_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_min_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_put128.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Group_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_create_group.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Info_set.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Unpack.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_iget.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_p.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_read_ordered_end.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Ssend.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_read_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_getmem_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Group_translate_ranks.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Group_excl.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_iget128.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_or_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_delete_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Pack_external.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_finc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_write_ordered_begin.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_float_fetch.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Errhandler_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_wait.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_iwrite_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_set_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Ialltoall.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_call_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Info_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Iscan.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_iget.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_size_x.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Neighbor_alltoall_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Register_datarep.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Lookup_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Ibarrier.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_wait.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_xor_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_double_put_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_finalize.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Group_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Info_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_info_get_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_complexf_sum_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Iscatter.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Grequest_complete.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_call_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_set_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_max_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Scatter_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_join.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Sizeof.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_float_iput.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Dist_graph_create_adjacent.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_fetch.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Reduce_scatter_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Close_port.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Get_elements.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_create_darray.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Ireduce_scatter.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_set.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longdouble_p.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_double_p.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Neighbor_allgatherv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_complexd_sum_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_set.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Ireduce.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Get_count.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_cvar_get_num.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/OpenMPI.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_finc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_init_thread.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_iget.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Reduce_scatter_block.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmemalign.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Initialized.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_delete_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_get_position_shared.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Improbe.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Finalized.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_pvar_reset.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Ineighbor_allgatherv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_fadd.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_pvar_write.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Group_compare.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Allgatherv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Ialltoallv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shfree.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_accept.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_get_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_complexd_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Open_port.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Scan.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Testany.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Buffer_detach.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Message_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_set_view.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_test_lock.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_pvar_handle_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Pack.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Get_accumulate.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Neighbor_alltoallv_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Test_cancelled.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_get_group.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Group_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_set_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Status_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_connect.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_c2f.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_free_keyval.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_set_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_swap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Alltoall_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_write_all_end.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Exscan.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_category_get_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Pcontrol.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_char_g.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_double_iput.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Bsend.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_float_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_barrier_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Info_get_valuelen.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Mrecv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Allreduce.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_double_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_float_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_g.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Attr_delete.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Cart_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_iget32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_swap.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Ialltoallw.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_float_sum_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_iget64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Alltoallw_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longdouble_prod_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_create_dynamic.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_float_max_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_spawn_multiple.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_get64.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Wtime.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_ptr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Recv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Ssend_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_broadcast32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_get_parent.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Reduce_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_read_all_begin.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_create_hindexed_block.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Get_processor_name.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_ub.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Gatherv_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_get128.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_double_max_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_xor_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Graph_neighbors_count.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_max_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Is_thread_main.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_double_min_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_set_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_and_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Grequest_start.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_set_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Iallreduce.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_split.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_or_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_get_envelope.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_pvar_read.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Intercomm_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Error_string.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_extent.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Accumulate.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_char_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_get_view.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shrealloc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Attr_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Igather.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_char_put_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Waitsome.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_pvar_session_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Neighbor_alltoallw_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_p.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Reduce_scatter_block_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_set_atomicity.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_hindexed.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_seek.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Graph_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_iput.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Address.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_create_f90_complex.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_get_errhandler.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_free.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_get_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_f2c.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_fcollect32.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Fetch_and_op.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_iread.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Ineighbor_alltoallw.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_write_at_all_end.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Scatter.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Query_thread.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Pack_external_size.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_double_put.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_int_inc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Imrecv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_malloc.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Cart_shift.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_hvector.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Graphdims_get.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/start_pes.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_write_at_all_begin.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_set_cache_inv.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/OpenSHMEM.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Testall.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_short_put_nbi.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_fadd.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_T_cvar_get_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_pe_accessible.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_get_type_extent.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_iwrite_shared.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_and_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_get_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_write_shared.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_dup.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_read_ordered_begin.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Reduce_local.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPIX_Exscan_init.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Ibcast.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_double_g.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Type_get_attr.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Ineighbor_alltoall.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_allocate_shared.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Keyval_create.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_long_and_to_all.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_File_get_amode.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Comm_split_type.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/shmem_longlong_fetch.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man3/MPI_Win_set_info.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man7/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man7/orte_sstore.7\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man7/orte_hosts.7\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man7/opal_crs.7\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man7/orte_snapc.7\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man7/orte_filem.7\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/share/man/man7/ompi_crcp.7\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/etc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/etc/openmpi-default-hostfile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/etc/openmpi-mca-params.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/etc/openmpi-totalview.tcl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/openmpi4/openmpi-4.1.5/etc/pmix-mca-params.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nccl/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nccl/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nccl/lib/pkgconfig/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nccl/lib/pkgconfig/nccl.pc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nccl/lib/libnccl.so.2.18.5\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nccl/lib/libnccl_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nccl/lib/libnccl.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nccl/lib/libnccl.so.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nccl/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nccl/include/nccl_net.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nccl/include/nccl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/comm_libs/12.6/nccl/LICENSE.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/EULA.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/bin/nsys\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/bin/nsys-ui\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libnvperf_grfx_host.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/GpuMetrics/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/GpuMetrics/ga10x.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/GpuMetrics/tu11x.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/GpuMetrics/gh100-ct.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/GpuMetrics/ad10x.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/GpuMetrics/ga100.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/GpuMetrics/gh100.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/GpuMetrics/tu10x.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/GpuMetrics/ga10x-gfxt.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/GpuMetrics/ga10b.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/GpuMetrics/tu10x-gfxt.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/GpuMetrics/index.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/GpuMetrics/ga10x-gfxact.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/GpuMetrics/ad10x-gfxt.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libz.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libcupti.so.10.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvgpucs\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/PythonFunctionsTrace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/PythonFunctionsTrace/annotations.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libToolsInjectionCuDNN64_8.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libToolsInjectionMPICH64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/exporter/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/exporter/export_schema_version_notes.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libelf.so.0.187\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libcupti.so.11.5\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/CollectX/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/CollectX/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/CollectX/lib/providers/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/CollectX/lib/providers/libsysfs_provider.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/CollectX/lib/providers/libevents_switch_provider.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/CollectX/lib/providers/libevents_ngauge_high_freq_provider.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/CollectX/CollectXCountersToCollect.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/CollectX/libclx_api.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/CollectX/pmc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/CollectX/counters_collector\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libToolsInjectionPythonBacktrace64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libbpf.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/eBPF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/eBPF/empty.bpf.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/eBPF/vmlinux.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/eBPF/syscall_trace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/eBPF/syscall_trace.bpf.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libz.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libToolsInjectionPythonNvtxAnnotations64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libbpf.so.1.3.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libToolsInjectionUCP64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/rules/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/rules/README.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/rules/cuda_api_sync.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/rules/dx12_mem_ops.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/rules/gpu_time_util.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/rules/cuda_memcpy_sync.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/rules/gpu_gaps.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/rules/cuda_memcpy_async.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/rules/cuda_memset_sync.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/CudaGpuInfoDumper\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libToolsInjectionPythonGilTracing64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libPreRunProcessInjector.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libToolsInjection64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libToolsInjectionOpenSHMEM64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libnvlog.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libelf.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libbpf.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libcupti.so.11.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libsqlite3.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libToolsInjectionProxy64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/launcher\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libLauncher64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libz.so.1.3.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/samples/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/samples/NetworkPlugin.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libcupti.so.11.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/vulkan-layers/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/vulkan-layers/VkLayer_nsight-sys_linux.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libToolsInjectionCuDNN64_7.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libcupti.so.10.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nsys\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libcupti.so.11.8\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libcupti.so.11.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libelf.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libcupti.so.11.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nsys-launcher\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/bin/python\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/lib/kernel_helper.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/lib/gpustats.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/lib/nsysstats.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/lib/NsysServer_pb2.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/lib/nsys_client.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/__init__.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/requirements/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/requirements/jupyter.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/requirements/dask.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/requirements/common.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/clean.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/third_party/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/third_party/312/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/third_party/312/_sqlite3.cpython-312-x86_64-linux-gnu.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/third_party/312/sqlite3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/third_party/312/sqlite3/__init__.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/third_party/312/sqlite3/dump.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/third_party/312/sqlite3/dbapi2.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/third_party/312/sqlite3/__main__.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/third_party/_sqlite3.cpython-310-x86_64-linux-gnu.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/third_party/sqlite3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/third_party/sqlite3/__init__.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/third_party/sqlite3/dump.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/third_party/sqlite3/dbapi2.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_gaps/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_gaps/analysis.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_gaps/gpu_gaps.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_gaps/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memset_sync/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memset_sync/analysis.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memset_sync/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memset_sync/cuda_memset_sync.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_hist/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_hist/histogram.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_hist/cuda_gpu_kern_hist.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_hist/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvlink_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvlink_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvlink_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvlink_sum/nvlink_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/mpi_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/mpi_sum/mpi_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/mpi_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/mpi_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/osrt_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/osrt_sum/osrt_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/osrt_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/osrt_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_time_util_map/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_time_util_map/cuda_gpu_time_util_map.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_time_util_map/heatmap.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_time_util_map/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_time_util/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_time_util/analysis.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_time_util/gpu_time_util.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_time_util/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_trace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_trace/nvtx_gpu_proj_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_trace/trace.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_trace/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_sum/cuda_gpu_kern_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memcpy_async/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memcpy_async/analysis.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memcpy_async/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memcpy_async/cuda_memcpy_async.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_time_util_map/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_time_util_map/nccl_gpu_time_util_map.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_time_util_map/heatmap.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_time_util_map/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/network_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/network_sum/network_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/network_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/network_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_mem_time_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_mem_time_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_mem_time_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_mem_time_sum/cuda_gpu_mem_time_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/network_traffic_map/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/network_traffic_map/heatmap.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/network_traffic_map/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/network_traffic_map/network_traffic_map.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_overlap_trace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_overlap_trace/nccl_gpu_overlap_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_overlap_trace/trace.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_overlap_trace/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_sum/topN.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_sum/nvtx_gpu_proj_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_pace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_pace/nvtx_gpu_proj_pace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_pace/pace.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_pace/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_sum/nccl_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_sum/nvtx_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_mem_size_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_mem_size_sum/cuda_gpu_mem_size_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_mem_size_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_mem_size_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/dx12_mem_ops/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/dx12_mem_ops/analysis.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/dx12_mem_ops/dx12_mem_ops.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/dx12_mem_ops/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_pace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_pace/pace.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_pace/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_pace/cuda_gpu_kern_pace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_proj_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_proj_sum/nccl_gpu_proj_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_proj_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_proj_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_api_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_api_sum/cuda_api_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_api_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_api_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/ucx_gpu_time_util_map/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/ucx_gpu_time_util_map/ucx_gpu_time_util_map.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/ucx_gpu_time_util_map/heatmap.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/ucx_gpu_time_util_map/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memcpy_sync/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memcpy_sync/analysis.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memcpy_sync/cuda_memcpy_sync.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memcpy_sync/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/mpi_gpu_time_util_map/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/mpi_gpu_time_util_map/mpi_gpu_time_util_map.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/mpi_gpu_time_util_map/heatmap.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/mpi_gpu_time_util_map/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_pace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_pace/pace.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_pace/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_pace/nvtx_pace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/diff/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/diff/diff.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/diff/diff.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/diff/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_api_sync/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_api_sync/cuda_api_sync.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_api_sync/analysis.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_api_sync/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_metric_util_map/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_metric_util_map/gpu_metric_util_map.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_metric_util_map/heatmap.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_metric_util_map/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/nsys_constants.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/__init__.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/recipe_loader.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/summary.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/cuda.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/export.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/nsys_pres.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/nsys_display.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/nvtx.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/recipe.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/pace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/helpers.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/nsys_path.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/table_config.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/network.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/exceptions.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/heatmap.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/data_utils.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/collective_loader.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/overlap.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/gpu_metrics.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/data_reader.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/lib/args.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/log.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/data_service.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/format.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/pyproject.toml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/Dockerfile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/install.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/python/packages/nsys_recipe/__main__.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libLinuxKeyboardInterceptorProxy.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/NvTraceFormat/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/NvTraceFormat/TimestampConverter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/NvTraceFormat/Timestamp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/NvTraceFormat/Unroll.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/NvTraceFormat/NvTraceFormat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libToolsInjectionMemoryAllocator.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/sqlite3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libcupti.so.12.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libcupti.so.10.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvlog.config.template\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libcupti.so.11.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvToolsExtOpenCL.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvtx3.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvToolsExtCuda.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvToolsExtCudaRt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvToolsExt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxImplOpenCL_v3.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxInit.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxLinkOnce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxInitDecls.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxInitDefs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxImplCuda_v3.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxImpl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxImplCudaRt_v3.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxImplCore.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxImplSync_v3.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxTypes.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/nvtx/include/nvtx3/nvToolsExtSync.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/README.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/openacc_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/dx12_pix_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/cuda_api_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/nvvideo_api_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/syscall_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/nvtx_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/cuda_gpu_kern_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/nvtx_pushpop_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/um_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/cuda_kern_exec_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/opengl_khr_range_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/nvtx_kern_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/openmp_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/mpi_event_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/_sql.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/um_total_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/cuda_api_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/_sqlfile.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/vulkan_gpu_marker_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/nvtx_gpu_proj_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/nvtx_gpu_proj_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/cuda_gpu_mem_size_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/nvtx_pushpop_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/cuda_gpu_kern_gb_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/um_cpu_page_faults_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/network_congestion.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/dx11_pix_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/vulkan_marker_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/vulkan_api_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/cuda_kern_exec_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/mpi_event_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/vulkan_api_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/nvtx_startend_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/cuda_gpu_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/opengl_khr_gpu_range_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/cuda_gpu_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/osrt_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/_tbl.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/_values.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/wddm_queue_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/dx12_gpu_marker_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/cuda_api_gpu_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/reports/cuda_gpu_mem_time_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/plugins/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/plugins/network_interface/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/plugins/network_interface/nsys-plugin.yaml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/plugins/network_interface/network_plugin\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/plugins/storage_metrics/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/plugins/storage_metrics/nsys-plugin.yaml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/plugins/storage_metrics/storage_metrics\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/plugins/nvml_metrics/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/plugins/nvml_metrics/nsys-plugin.yaml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/plugins/nvml_metrics/nvml_plugin\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/plugins/efa_metrics/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/plugins/efa_metrics/Licenses.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/plugins/efa_metrics/nsys-plugin.yaml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/plugins/efa_metrics/nic_sampler\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libToolsInjectionOpenMPI64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libcupti.so.11.4\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/target-linux-x64/libcupti.so.11.7\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/search.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/defs.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/ReleaseNotes/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/ReleaseNotes/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_sphinx_design_static/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_sphinx_design_static/design-style.b7bb847fb20b106c3d81b95245e65545.min.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_sphinx_design_static/design-tabs.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/objects.inv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/VERSION\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/CopyrightAndLicenses/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/CopyrightAndLicenses/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/theme-setter.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/doctools.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/_sphinx_javascript_frameworks_compat.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/file.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/version.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/omni-style-dark.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/theme-switcher-general.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/devzone.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/NVIDIA-LogoWhite.svg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/jquery-3.6.0.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/twemoji.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/design-style.b7bb847fb20b106c3d81b95245e65545.min.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/main_ov_logo_square.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/plus.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/language_data.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/underscore-1.13.1.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/social-media.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/documentation_options.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/twemoji.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/searchtools.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/design-tabs.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/sphinx_highlight.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/js/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/js/html5shiv.min.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/js/badge_only.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/js/theme.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/js/html5shiv-printshiv.min.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/lunr.min.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/api-styles.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/api-styles-dark.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/mermaid-init.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/basic.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/pygments.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/favicon.ico\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/jquery.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/omni-style.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/NVIDIA-LogoBlack.svg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/badge_only.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/theme.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/lato-normal-italic.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/lato-normal.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/lato-normal.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/fontawesome-webfont.svg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/Roboto-Slab-Bold.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/lato-bold.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/fontawesome-webfont.ttf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/Roboto-Slab-Bold.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/fontawesome-webfont.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/fontawesome-webfont.eot\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/lato-normal-italic.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/lato-bold-italic.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/Roboto-Slab-Regular.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/fontawesome-webfont.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/lato-bold-italic.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/lato-bold.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/css/fonts/Roboto-Slab-Regular.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/underscore.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/minus.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/main_ov_logo_rect.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_static/lunr_search.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/Archives/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/Archives/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/feedback.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/storage-metrics-report-files.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/vulkan_memory_operations.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/deselect-thread.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/reset-backtraces.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/timeline-options-button.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/openacc-gpu-correlation.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/k8.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/storage-metrics-report-nfs.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/report-diagnostics-link.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/cuda-thread-rows.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/report-view-selector.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/bottom-view-selector.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/configure-opengl-trace.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/project-settings-communication.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/mpi-comparam2.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/frame-pointers.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/linuxperf-gui-config.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/recipe-trace-table.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/recipe-pace-graph.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/network-connection.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/no-filter-backtraces.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/syscall-trace-timeline-example.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/report-alignment-source-TSC.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/ib-congestion.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/expert-systems-gui.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/lbr-backtrace.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/wddm-hw-scheduler.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/collect_thread_activity.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/dx12_cpu_marker.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/storage-metrics-report-local-nvmeof.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/select-video-codec.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/nvtx-domain.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/python-functions-trace.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/fps_overview.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/nvtx-screenshot.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/dx12_memory_operations.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/syscall-trace-gui-selection.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/openacc-tooltip.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/system-time.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/report-tiling-diagram.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/recipe-summary-graph.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/configure-os-runtime-trace.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/lp-options.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/debug-library-used.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/mpi-trace.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/python-gil-tracing.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/event-paste-spreadsheet.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/timeline-navigation-dialog.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/custom-etw-events-timeline.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/recipe-summary-table.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/new-multi-report-view.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/storage-metrics-report-lustre.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/memory_utilization_resource_migrations.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/recipe-jupyter1.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/project-settings-all.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/vertical-scroll.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/recipe-heatmap.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/pane-to-dock.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/uvm_migration_cause_hl.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/ip-backtrace-sampling-filter.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/3407-profile-osrt-nvtx-summary.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/dx12_commandqueues.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/vulkan_command_buffer_creation.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/recipe-jupyter3.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/ncu-gui-selection-annotated.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/gpu-metrics-gui-metric-sets.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/sampling-environment-check2022.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/uvm-cpu-page-faults.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/recipe-tutorial.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/configure-python-backtrace-sampling.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/vsync.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/cudagraph-nodelevel.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/dx12_api_and_related_workload.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/line-labels-column.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/multi-report-view.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/uvm.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/pane-multi-dock.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/reflex_sdk.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/ue4_infiltrator_vulkan_markers-summary.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/configure-cuda-trace.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/configure-cuda-trace-x86.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/events-view-click.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/bad_fps.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/expand-backtrace.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/hotkey-checkbox.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/vulkan_cpu_marker.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/vertical-scaling.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/vulkan_frame_health.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/nic-metrics-sampling.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/function-table-modes.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/ncu-commandline.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/memory_utilization_gpu_vram.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/openxr_overview.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/storage-metrics-report-timeline.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/memory_allocation_graph2.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/memory_utilization.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/event-paste-notepad.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/DX11_API_Row.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/memory_utilization_resource_allocations.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/fps_customizations.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/flamegraph.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/expert-systems-pageable.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/ib-switch-metrics-sampling.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/gpu-metrics-timeline.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/d3d12-work-graphs-and-related-pix-marker.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/custom-etw-trace-settings.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/cudagraph-graphlevel.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/vulkan_memory_operations_row.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/report-filter-dialog.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/recipe-overlap-table.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/os-runtime-row-x86.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/recipe-jupyter2.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/openmp-trace.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/lp-diagnostics-page.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/mpi-comparam1.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/ncu-settings.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/fps_pick.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/vmprofiler.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/fps_performance_warnings.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/gpu-metrics-gui-overview.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/configure-opengl-functions.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/configure-python-gil-tracing.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/d3d12-work-graphs-api-trace.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/events-view-nested-markers.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/kernel-mode-sample.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/python-backtrace-sampling.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/cudagraph-selector.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/video-codec-trace.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/visual_studio_extension_menu_trace_command.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/configure-cuda-python-backtrace.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/vulkan_overview.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/ib-network-info.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/cuda-gpu-rows.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/cpu-ipbacktrace.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/target-sampling-options-windows.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/row-height.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/pane-undocked.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/recipe-line-graph.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/video-hardware.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/throttling.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/memory_utilization_memory_transfer.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/custom-etw-add-provider.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/dx12_correlation.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/symbols_location_dialog.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/stutter_row.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/zoomed-expand-backtrace.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/event-copy.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/vulkan-pipeline-creation-feedback.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/cuda-python-backtrace.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/3407-profile-cuda-summary.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/WDDM_Queues.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/dx12_frame_health.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/report-alignment-source-UTC.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/dx12_commandlist_creation.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/nvtx-payloads.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/process-launch.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/dx12_overview.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/stderr-log.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/memory_allocation_graph1.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/ip-backtrace-filtered.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/device-list-empty.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/select-openmp-trace.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/d3d12_fence_synchronization.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/configure-python-functions-trace.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/vulkan_api_and_related_workload.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/ncu-option.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/mpi-comparam3.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/openacc-CUDA-correlation.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/recipe-box-plot.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/recipe-top-n.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/dx12_commandlist_marker.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/uvm-gpu-page-faults.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/recipe-jupyter4.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/dx12_gpu_marker.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/device-list-empty-x86.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/vulkan_correlation.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/_images/cpu-eventsampling.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/searchindex.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/UserGuide/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/UserGuide/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/genindex.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/project.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/.buildinfo\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/InstallationGuide/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/documentation/InstallationGuide/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libparquet.so.1700.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/ResolveSymbols\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/resources/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/resources/qtwebengine_resources_200p.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/resources/qtwebengine_resources_100p.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/resources/icudtl.dat\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/resources/qtwebengine_resources.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/resources/qtwebengine_devtools_resources.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libGpuInfo.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/QuadDPlugin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/QuadDPlugin/default.layout\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/QuadDPlugin/Manifest.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/QuadDPlugin/libQuadDPlugin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/tls/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/tls/libqopensslbackend.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/tls/libqcertonlybackend.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/TimelinePlugin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/TimelinePlugin/Manifest.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/TimelinePlugin/libTimelinePlugin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/wayland-shell-integration/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/wayland-shell-integration/libivi-shell.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/wayland-shell-integration/libxdg-shell.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/wayland-shell-integration/libfullscreen-shell-v1.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/wayland-shell-integration/libwl-shell-plugin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/CorePlugin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/CorePlugin/libCorePlugin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/wayland-decoration-client/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/wayland-decoration-client/libbradient.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/wayland-graphics-integration-client/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/wayland-graphics-integration-client/libvulkan-server.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/wayland-graphics-integration-client/libqt-plugin-wayland-egl.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/wayland-graphics-integration-client/libshm-emulation-server.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/imageformats/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/imageformats/libqtga.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/imageformats/libqsvg.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/imageformats/libqico.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/imageformats/libqgif.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/imageformats/libqwbmp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/imageformats/libqtiff.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/imageformats/libqjpeg.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/xcbglintegrations/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/xcbglintegrations/libqxcb-glx-integration.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/platforms/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/platforms/libqoffscreen.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/platforms/libqwayland-egl.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/platforms/libqwayland-generic.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Plugins/platforms/libqxcb.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/nsys-ui.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libCore.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6UiTools.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libEventSource.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/PythonFunctionsTrace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/PythonFunctionsTrace/annotations.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libboost_serialization.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libAppLib.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libProtobufComm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/DumpTimeline\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libpfm.so.4\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Sensors.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libAnalysisProto.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libboost_system.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libNvtxExtData.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/exporter/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/exporter/export_schema_version_notes.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libCommonProtoServices.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6QuickParticles.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libGpuTraits.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libAnalysisContainersData.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libstdc++.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libTimelineAssert.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libInterfaceSharedBase.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libInterfaceShared.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libEventsView.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libNvtxwBackend.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libGenericHierarchy.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6StateMachine.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libCudaDrvApiWrapper.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Sql.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libSshClient.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libTelemetryQuadDClient.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libSymbolDemangler.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6QmlModels.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Quick.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/rules/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/rules/README.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/rules/cuda_api_sync.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/rules/dx12_mem_ops.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/rules/gpu_time_util.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/rules/cuda_memcpy_sync.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/rules/gpu_gaps.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/rules/cuda_memcpy_async.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/rules/cuda_memset_sync.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libStreamSections.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libSymbolAnalyzerLight.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/NVIDIA_SLA.pdf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Mesa/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Mesa/libGL.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Mesa/libGL.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Mesa/libGL.so.1.5.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Charts.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libboost_date_time.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6OpenGLWidgets.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libNvQtGui.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libboost_iostreams.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libInterfaceData.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libssh.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libInterfaceSharedLoggers.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libDevicePropertyProto.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libpapi.so.5\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libNetworkInfo.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Core.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Designer.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6QuickTest.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libProcessLauncher.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libcrypto.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libTimelineCommon.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libnvlog.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libboost_timer.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libparquet.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libAppLibInterfaces.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libsqlite3.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libicudata.so.71\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libTimelineUIUtils.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libAgentAPI.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Network.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libprotobuf-shared.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6WebEngineCore.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6QuickWidgets.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libboost_chrono.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQuiverContainers.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6SvgWidgets.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libjpeg.so.8\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libDeviceProperty.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/nsys-ui.bin\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6DesignerComponents.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libexec/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libexec/QtWebEngineProcess\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libexec/qt.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libHostCommon.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libboost_container.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libCommonNsysServer.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libicui18n.so.71\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/bn.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/fi.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/en-GB.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/hr.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/lt.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/ca.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/ta.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/sw.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/zh-TW.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/fil.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/et.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/fr.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/uk.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/sk.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/pt-PT.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/hu.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/kn.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/en-US.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/de.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/pt-BR.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/ru.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/nl.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/hi.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/sl.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/am.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/ml.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/bg.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/sv.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/tr.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/nb.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/ms.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/id.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/fa.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/lv.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/gu.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/zh-CN.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/th.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/cs.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/es.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/ko.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/mr.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/vi.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/ar.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/pl.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/te.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/da.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/es-419.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/he.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/sr.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/ja.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/el.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/it.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/translations/qtwebengine_locales/ro.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/Flamegraph/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/Flamegraph/README.md\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/Flamegraph/stackcollapse_nsys.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/usr/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/usr/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/usr/share/novnc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/usr/share/novnc/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Readme.md\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Dockerfile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Scripts/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Scripts/runall.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Scripts/runvnc.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Scripts/maximize_window.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Scripts/runnsysui.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Scripts/runxvfb.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Scripts/runallasuser.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Configs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Configs/supervisord.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Configs/conf.d/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Configs/conf.d/x11vnc.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Configs/conf.d/xrdp.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Configs/conf.d/jwm.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Configs/conf.d/websockify.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Configs/conf.d/tigervnc.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Configs/conf.d/nsys-ui.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Configs/conf.d/xvfb.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Configs/xrdp.ini\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/Configs/system.jwmrc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/build.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/VncContainer/.dockerignore\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/build.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/README.md\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/run.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/stop.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/setup/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/setup/ThirdPartyLicenses.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/setup/stop-base.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/setup/src-base/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/setup/src-base/supervisord.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/setup/src-base/supervisord-devtool.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/setup/src-base/xorg.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/setup/src-base/supervisord-devtool.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/setup/src-base/entrypoint-selkies-gstreamer.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/setup/src-base/entrypoint-base.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/setup/Dockerfile.base\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/setup/pion.tgz\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/setup/start-base.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/setup/selkies-gstreamer-source.tgz\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/setup/build-base.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/WebRTCContainer/setup/selkies-gstreamer-binaries.tgz\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/DependenciesInstaller/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/DependenciesInstaller/install-dependencies-without-root.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/DependenciesInstaller/install-dependencies.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/DependenciesInstaller/Debian/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/DependenciesInstaller/Debian/packages.list\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/DependenciesInstaller/Debian/install-dependencies.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/DependenciesInstaller/Debian/non-root-dependencies-installer-debian.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/DependenciesInstaller/setup-dependencies-environment.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/DependenciesInstaller/RHEL/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/DependenciesInstaller/RHEL/packages.list\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/DependenciesInstaller/RHEL/dependency_resolver\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/DependenciesInstaller/RHEL/install-dependencies.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/DependenciesInstaller/RHEL/non-root-dependencies-installer-rhel.sh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/Scripts/DependenciesInstaller/RHEL/rpm_extract\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libcrypto.so.1.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libboost_filesystem.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libInjectionCommunicator.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libInterfaceSharedCore.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libNvmlWrapper.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Help.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libProtobufCommProto.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/nsys-ui.desktop.template\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libAnalysis.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6PrintSupport.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/python/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/python/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/python/bin/python\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/python/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/python/lib/kernel_helper.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/python/lib/gpustats.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/python/lib/nsysstats.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libparquet.so.1700\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libarrow.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6WaylandClient.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libNsysServerProto.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/CrashReporter\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libboost_program_options.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libarrow.so.1700.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/sqlite3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libicuuc.so.71\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libarrow.so.1700\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Concurrent.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libboost_regex.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/QdstrmImporter\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Qml.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libexporter.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6WaylandCompositor.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6WebEngineWidgets.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libssl.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/nvlog.config.template\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6MultimediaQuick.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libAssert.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQuiverEvents.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/README.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/openacc_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/dx12_pix_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/cuda_api_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/nvvideo_api_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/syscall_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/nvtx_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/cuda_gpu_kern_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/nvtx_pushpop_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/um_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/cuda_kern_exec_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/opengl_khr_range_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/nvtx_kern_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/openmp_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/mpi_event_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/_sql.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/um_total_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/cuda_api_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/_sqlfile.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/vulkan_gpu_marker_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/nvtx_gpu_proj_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/nvtx_gpu_proj_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/cuda_gpu_mem_size_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/nvtx_pushpop_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/cuda_gpu_kern_gb_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/um_cpu_page_faults_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/network_congestion.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/dx11_pix_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/vulkan_marker_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/vulkan_api_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/cuda_kern_exec_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/mpi_event_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/vulkan_api_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/nvtx_startend_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/cuda_gpu_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/opengl_khr_gpu_range_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/cuda_gpu_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/osrt_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/_tbl.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/_values.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/wddm_queue_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/dx12_gpu_marker_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/cuda_api_gpu_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/reports/cuda_gpu_mem_time_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6XcbQpa.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libssl.so.1.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libLinuxPerf.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6WebChannel.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libboost_python310.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/nsys-ui\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libTimelineWidget.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6OpenGL.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libAnalysisData.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Xml.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Positioning.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libboost_atomic.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Multimedia.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6DBus.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6MultimediaWidgets.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/ImportNvtxt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Gui.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libboost_thread.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6WaylandEglCompositorHwIntegration.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Svg.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libProtobufCommClient.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libCommonProtoStreamSections.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Widgets.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6Test.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQtPropertyBrowser.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Systems/host-linux-x64/libQt6WaylandEglClientHwIntegration.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/EULA.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/search.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/NvRulesAPI/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/NvRulesAPI/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/CustomizationGuide/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/CustomizationGuide/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2021-2-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2021-2-5.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2021-1-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2019-3-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2024-2-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2020-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/known-issues.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2021-2-3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2024-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2023-3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2021-2-9.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2024-3-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2022-4.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2019-4.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2019-5-3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/release-notes-older-versions.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2021-2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2020-1-2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2021-2-6.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2020-3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2023-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2022-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2021-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2020-3-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/system-requirements.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2024-3-2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2023-1-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2023-2-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2023-2-2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2021-2-7.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/library-support-optix.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2019-5-2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2020-2-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2023-2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2024-2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/release-notes.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2021-3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2019-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2022-1-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2024-1-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2021-3-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2022-3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2020-1-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2022-2-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2020-2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/library-support.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/gpu-support.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2022-4-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2019-2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2019-5.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2022-2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2024-3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2021-2-8.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/platform-support.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2021-2-2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2019-5-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2021-2-4.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2019-3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/support.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/topics/updates-2023-3-1.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ReleaseNotes/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/NsightComputeCli/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/NsightComputeCli/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/group__NVRULES__LW.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/classNV_1_1Rules_1_1INvtxRange.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/modules.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/classNV_1_1Rules_1_1IBaseContext.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/group__NVRULES__NM.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/classNV_1_1Rules_1_1IContext.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/namespaceNV_1_1Rules.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/classNV_1_1Rules_1_1INvtxDomainInfo.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/classNV_1_1Rules_1_1INvtxState.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/namespaces.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/classNV_1_1Rules_1_1ISourceInfo.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/classNV_1_1Rules_1_1IMetric.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/classNV_1_1Rules_1_1IRange.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/group__NVRULES__HW.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/classNV_1_1Rules_1_1IMessageVault.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/namespaceNV.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/classNV_1_1Rules_1_1IFrontend.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/classNV_1_1Rules_1_1IController.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/data-structures.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/classNV_1_1Rules_1_1IEvaluator.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/api/classNV_1_1Rules_1_1IAction.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_sphinx_design_static/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_sphinx_design_static/design-style.b7bb847fb20b106c3d81b95245e65545.min.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_sphinx_design_static/design-tabs.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/objects.inv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/VERSION\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/CopyrightAndLicenses/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/CopyrightAndLicenses/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/Notices/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/Notices/notices.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/theme-setter.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/doctools.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/jquery-3.5.1.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/nsight-compute.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/file.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/version.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/omni-style-dark.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/theme-switcher-general.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/nsight-compute.ico\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/NVIDIA-LogoWhite.svg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/twemoji.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/design-style.b7bb847fb20b106c3d81b95245e65545.min.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/main_ov_logo_square.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/plus.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/language_data.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/underscore-1.13.1.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/social-media.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/documentation_options.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/twemoji.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/searchtools.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/design-tabs.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/js/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/js/html5shiv.min.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/js/badge_only.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/js/theme.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/js/html5shiv-printshiv.min.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/lunr.min.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/api-styles.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/api-styles-dark.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/mermaid-init.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/basic.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/pygments.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/favicon.ico\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/jquery.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/omni-style.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/NVIDIA-LogoBlack.svg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/badge_only.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/theme.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/lato-normal-italic.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/lato-normal.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/lato-normal.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/fontawesome-webfont.svg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/Roboto-Slab-Bold.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/lato-bold.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/fontawesome-webfont.ttf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/Roboto-Slab-Bold.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/fontawesome-webfont.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/fontawesome-webfont.eot\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/lato-normal-italic.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/lato-bold-italic.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/Roboto-Slab-Regular.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/fontawesome-webfont.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/lato-bold-italic.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/lato-bold.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/css/fonts/Roboto-Slab-Regular.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/underscore.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/minus.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/main_ov_logo_rect.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_static/lunr_search.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/Training/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/Training/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/Archives/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/Archives/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/quick-start-report-summary.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/filter-example-12.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/options-profile.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/as-viewer-display-filter.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/quick-start-baseline.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/as-viewer-open-button.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/green-contexts-resource-tool-window.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/green-contexts-details-page.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/tool-window-api-stream.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-source-markers.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-summary-table.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/regular-application-process.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/hw-model-lts-ga100.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profile-series-action.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/memory-peak-mapping.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/tool-window-section-sets.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-section-with-rule.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/replay-application-range.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/memory-tables-l2.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-section-bodies.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/memory-tables-l2-evict-policy.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/source-comparison-from-header.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/occupancy-calculator-activity.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-source-rel-abs.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/as-viewer-cam.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/hw-model-lts.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/integration-4.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/projects-explorer.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/tool-window-baselines.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/occupancy-calculator-from-header.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profile-series-dialog.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/quick-start-profiling-options-sections.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/quick-start-interactive-profiling-next-launch.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/quick-start-interactive-profiling-connect.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/quick-start-interactive-profiling-attach.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/filter-example-7.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/as-viewer-rendering-options.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/integration-1.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/hw-model-l1tex-ga100-global.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/tool-window-api-statistics.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/replay-application.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiled-process.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/hw-model-l1tex.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-summary-rules.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/memory-tables-l1.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-source-statistics.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-header.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/quick-start-system-trace-timeline.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/memory-tables-dram.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-source-profiles-button.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/memory-chart-a100.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-nvtx.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/filter-example-3.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/replay-kernel.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/filter-example-15.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/quick-start-report.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/filter-example-8.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-summary.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/roofline-overview.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/integration-2.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-fix-column.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/quick-start-interactive-profiling-connected.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/replay-application-kernel-matching.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/filter-example-13.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/tool-window-resources.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/tool-window-callstack.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/roofline-analysis.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/replay-range.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/integration-3.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/progress-log.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/baselines-multiple.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/tool-window-nvtx-resources.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/filter-example-2.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/main-menu.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/tool-window-sections.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/filter-example-11.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-callstack-python.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/section-files.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/filter-example-14.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/occupancy-calculator-from-section.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/occupancy-calculator-tables.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/memory-tables-smem.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/tool-window-nvtx.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/quick-start-system-trace-options.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/add-remote-connection.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/filter-example-16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/quick-start-rule.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-source.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/as-viewer.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-source-navigate-by.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/cubin-viewer.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/filter-example-6.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/quick-start-profiling-connect.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-header-filter-dialog.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/filter-example-9.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/baselines-tool-window.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-section-rooflines.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-source-collapse.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-source-profiles.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-source-markers-table.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/section-files-2.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/occupancy-calculator-gpu-data.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/quick-start-interactive-profiling-api-stream.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/source-comparison-navigation-buttons.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/add-remote-connection-private-key.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/occupancy-calculator-graphs.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-details-source-table.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-source-register-dependencies.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/replay-regular-execution.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-source-heatmap.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-inline-functions-table.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-source-resolve.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/baselines.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-callstack.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/welcome-page.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/connection-dialog.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-details-comments.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/status-banner.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/filter-example-5.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/source-comparison-document.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/quick-start-system-trace-connect.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/profiler-report-pages-source-column-chooser.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/tool-window-metric-details.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/sm-selection-dialog.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/as-viewer-property-filter.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/tool-window-launch-details.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/_images/source-counters.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/searchindex.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ProfilingGuide/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/ProfilingGuide/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/NsightCompute/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/NsightCompute/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/genindex.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/docs/project.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x86/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x86/TreeLauncherTargetLdPreloadHelper\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x86/libInterceptorInjectionTarget.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x86/libTreeLauncherTargetInjection.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x86/libTreeLauncherPlaceholder.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x86/libTreeLauncherTargetUpdatePreloadInjection.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-t210-a64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-t210-a64/TreeLauncherTargetLdPreloadHelper\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-t210-a64/libInterceptorInjectionTarget.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-t210-a64/libnvperf_target.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-t210-a64/libTreeLauncherTargetInjection.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-t210-a64/libTreeLauncherPlaceholder.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-t210-a64/libnvperf_host.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-t210-a64/TreeLauncherSubreaper\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-t210-a64/ncu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-t210-a64/libcuda-injection.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-t210-a64/libTreeLauncherTargetUpdatePreloadInjection.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x64/TreeLauncherTargetLdPreloadHelper\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x64/libInterceptorInjectionTarget.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x64/libnvperf_target.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x64/libTreeLauncherTargetInjection.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x64/libTreeLauncherPlaceholder.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x64/libnvperf_host.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x64/TreeLauncherSubreaper\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x64/ncu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x64/libcuda-injection.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/target/linux-desktop-glibc_2_11_3-x64/libTreeLauncherTargetUpdatePreloadInjection.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/ncu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/FileFormat/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/FileFormat/ProfilerReportCommon.proto\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/FileFormat/ProfilerResultsCommon.proto\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/FileFormat/Nvtx.proto\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/FileFormat/ProfilerSection.proto\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/FileFormat/ProfilerReport.proto\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/FileFormat/ProfilerStringTable.proto\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/FileFormat/NvtxCategories.proto\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/FileFormat/CpuStacktrace.proto\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/FileFormat/ProfilerMetricOptions.proto\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/FileFormat/RuleResults.proto\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/RuleTemplates/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/RuleTemplates/SpeedupWithFocusMetrics.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/RuleTemplates/KernelInstanceBoundsAnalysis.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/RuleTemplates/RuleTemplate_bar.chart\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/RuleTemplates/RuleTemplate_table.chart\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/RuleTemplates/AdvancedRuleTemplate.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/RuleTemplates/RuleTemplate.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/RuleTemplates/BasicRuleTemplate.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/RuleTemplates/BasicKernelInfo.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/RuleTemplates/RuleTemplate2_table.chart\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/RuleTemplates/KernelInstanceBoundsAnalysis.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/interKernelCommunication/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/interKernelCommunication/interKernelCommunication.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/interKernelCommunication/README.TXT\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/uncoalescedGlobalAccesses/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/uncoalescedGlobalAccesses/uncoalescedGlobalAccesses.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/uncoalescedGlobalAccesses/uncoalescedGlobalAccesses.pdf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/uncoalescedGlobalAccesses/addConstDouble3.ncu-rep\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/uncoalescedGlobalAccesses/README.TXT\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/uncoalescedGlobalAccesses/addConstDouble.ncu-rep\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/instructionMix/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/instructionMix/sobelDouble.ncu-rep\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/instructionMix/instructionMix.pdf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/instructionMix/instructionMix.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/instructionMix/README.TXT\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/instructionMix/sobelFloat.ncu-rep\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/sharedBankConflicts/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/sharedBankConflicts/sharedBankConflicts.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/sharedBankConflicts/transposeNoBankConflicts.ncu-rep\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/sharedBankConflicts/transposeCoalesced.ncu-rep\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/sharedBankConflicts/sharedBankConflicts.pdf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/samples/sharedBankConflicts/README.TXT\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/python/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/python/_ncu_report.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/extras/python/ncu_report.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/SpeedOfLight_HierarchicalDoubleRooflineChart.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/LaunchStatistics.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/AchievedOccupancy.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/SpeedOfLight_HierarchicalSingleRooflineChart.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/Nvlink_Tables.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/PMSamplingData.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/ThreadDivergence.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/UncoalescedAccess.chart\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/HighPipeUtilization.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/PCSamplingData.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/PmSampling.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/SchedulerStatistics.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/MemoryWorkloadAnalysis_Chart.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/SpeedOfLight.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/SpeedOfLight_Roofline.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/IssueSlotUtilization.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/Occupancy.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/SlowPipeLimiter.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/WorkloadDistribution.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/UncoalescedSharedAccess.chart\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/SpeedOfLight_RooflineChart.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/UncoalescedSharedAccess.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/InstructionStatistics.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/WarpStateStatistics.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/Compute.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/FPInstructions.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/LaunchStatistics.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/NumaAffinity.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/C2CLink.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/Nvlink_Topology.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/PmSampling_WarpStates.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/MemoryWorkloadAnalysis.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/TheoreticalOccupancy.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/CPIStall.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/MemoryL2Compression.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/WorkloadImbalance.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/UncoalescedAccess.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/ComputeWorkloadAnalysis.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/MemoryApertureUsage.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/SpeedOfLight.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/SharedMemoryConflicts.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/SpeedOfLight_HierarchicalTensorRooflineChart.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/SpeedOfLight_HierarchicalHalfRooflineChart.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/NvRules.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/Memory.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/SourceCounters.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/MemoryWorkloadAnalysis_Tables.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/Nvlink.section\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/MemoryCacheAccessPattern.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/sections/RequestedMetrics.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libnvperf_grfx_host.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/GpuMetrics/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/GpuMetrics/ga10x.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/GpuMetrics/tu11x.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/GpuMetrics/ad10x.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/GpuMetrics/ga100.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/GpuMetrics/gh100.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/GpuMetrics/tu10x.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/GpuMetrics/ga10x-gfxt.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/GpuMetrics/ga10b.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/GpuMetrics/tu10x-gfxt.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/GpuMetrics/index.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/GpuMetrics/ga10x-gfxact.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/GpuMetrics/ad10x-gfxt.config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libz.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libcupti.so.10.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libToolsInjectionCuBLAS64_11.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvgpucs\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/PythonFunctionsTrace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/PythonFunctionsTrace/annotations.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libToolsInjectionCuDNN64_8.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libToolsInjectionMPICH64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libelf.so.0.187\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libcupti.so.11.5\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/CollectX/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/CollectX/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/CollectX/lib/providers/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/CollectX/lib/providers/libsysfs_provider.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/CollectX/lib/providers/libevents_switch_provider.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/CollectX/libssl.so.10\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/CollectX/CollectXCountersToCollect.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/CollectX/libcrypto.so.10\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/CollectX/libclx_api.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/CollectX/pmc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/CollectX/clx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libToolsInjectionPythonBacktrace64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libz.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libToolsInjectionPythonNvtxAnnotations64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/StorageMetricsCollector\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libToolsInjectionUCP64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/rules/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/rules/README.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/rules/cuda_api_sync.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/rules/dx12_mem_ops.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/rules/gpu_time_util.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/rules/cuda_memcpy_sync.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/rules/gpu_gaps.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/rules/cuda_memcpy_async.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/rules/cuda_memset_sync.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/CudaGpuInfoDumper\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libToolsInjectionPythonGilTracing64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libparquet.so.500\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libarrow.so.500\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libPreRunProcessInjector.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libToolsInjection64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libToolsInjectionOpenSHMEM64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libnvlog.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libparquet.so.500.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libelf.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libparquet.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libcupti.so.11.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libsqlite3.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libToolsInjectionProxy64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/launcher\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libLauncher64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libarrow.so.500.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libz.so.1.3.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libcupti.so.11.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/vulkan-layers/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/vulkan-layers/VkLayer_nsight-sys_linux.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libToolsInjectionCuDNN64_7.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libcupti.so.10.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nsys\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libcupti.so.11.8\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libcupti.so.11.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libelf.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libcupti.so.11.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nsys-launcher\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/bin/python\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/lib/kernel_helper.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/lib/gpustats.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/lib/nsysstats.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/lib/NsysServer_pb2.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/lib/nsys_client.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/__init__.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/requirements/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/requirements/jupyter.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/requirements/dask.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/requirements/common.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/clean.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/third_party/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/third_party/312/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/third_party/312/_sqlite3.cpython-312-x86_64-linux-gnu.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/third_party/312/sqlite3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/third_party/312/sqlite3/__init__.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/third_party/312/sqlite3/dump.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/third_party/312/sqlite3/dbapi2.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/third_party/312/sqlite3/__main__.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/third_party/_sqlite3.cpython-310-x86_64-linux-gnu.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/third_party/sqlite3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/third_party/sqlite3/__init__.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/third_party/sqlite3/dump.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/third_party/sqlite3/dbapi2.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_gaps/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_gaps/analysis.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_gaps/gpu_gaps.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_gaps/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memset_sync/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memset_sync/analysis.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memset_sync/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memset_sync/cuda_memset_sync.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/mpi_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/mpi_sum/mpi_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/mpi_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/mpi_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/osrt_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/osrt_sum/osrt_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/osrt_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/osrt_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_time_util_map/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_time_util_map/cuda_gpu_time_util_map.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_time_util_map/heatmap.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_time_util_map/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_time_util/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_time_util/analysis.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_time_util/gpu_time_util.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_time_util/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_trace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_trace/nvtx_gpu_proj_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_trace/trace.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_trace/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_sum/cuda_gpu_kern_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memcpy_async/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memcpy_async/analysis.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memcpy_async/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memcpy_async/cuda_memcpy_async.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_time_util_map/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_time_util_map/nccl_gpu_time_util_map.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_time_util_map/heatmap.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_time_util_map/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_mem_time_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_mem_time_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_mem_time_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_mem_time_sum/cuda_gpu_mem_time_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/network_traffic_map/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/network_traffic_map/heatmap.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/network_traffic_map/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/network_traffic_map/network_traffic_map.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_overlap_trace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_overlap_trace/nccl_gpu_overlap_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_overlap_trace/trace.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_overlap_trace/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_sum/topN.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_sum/nvtx_gpu_proj_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_pace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_pace/nvtx_gpu_proj_pace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_pace/pace.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_gpu_proj_pace/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_sum/nccl_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_sum/nvtx_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_mem_size_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_mem_size_sum/cuda_gpu_mem_size_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_mem_size_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_mem_size_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/dx12_mem_ops/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/dx12_mem_ops/analysis.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/dx12_mem_ops/dx12_mem_ops.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/dx12_mem_ops/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_pace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_pace/pace.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_pace/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_gpu_kern_pace/cuda_gpu_kern_pace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_proj_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_proj_sum/nccl_gpu_proj_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_proj_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nccl_gpu_proj_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_api_sum/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_api_sum/cuda_api_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_api_sum/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_api_sum/stats.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/ucx_gpu_time_util_map/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/ucx_gpu_time_util_map/ucx_gpu_time_util_map.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/ucx_gpu_time_util_map/heatmap.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/ucx_gpu_time_util_map/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memcpy_sync/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memcpy_sync/analysis.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memcpy_sync/cuda_memcpy_sync.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_memcpy_sync/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/mpi_gpu_time_util_map/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/mpi_gpu_time_util_map/mpi_gpu_time_util_map.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/mpi_gpu_time_util_map/heatmap.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/mpi_gpu_time_util_map/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_pace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_pace/pace.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_pace/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/nvtx_pace/nvtx_pace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/diff/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/diff/diff.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/diff/diff.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/diff/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_api_sync/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_api_sync/cuda_api_sync.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_api_sync/analysis.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/cuda_api_sync/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_metric_util_map/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_metric_util_map/gpu_metric_util_map.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_metric_util_map/heatmap.ipynb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/recipes/gpu_metric_util_map/metadata.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/nsys_constants.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/__init__.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/recipe_loader.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/summary.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/cuda.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/nsys_pres.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/nsys_display.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/nvtx.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/recipe.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/pace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/helpers.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/nsys_path.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/network.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/exceptions.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/heatmap.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/data_utils.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/collective_loader.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/overlap.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/gpu_metrics.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/lib/args.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/log.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/data_service.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/format.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/pyproject.toml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/Dockerfile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/install.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/python/packages/nsys_recipe/__main__.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libarrow.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libLinuxKeyboardInterceptorProxy.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/NvTraceFormat/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/NvTraceFormat/TimestampConverter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/NvTraceFormat/Timestamp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/NvTraceFormat/Unroll.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/NvTraceFormat/NvTraceFormat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libToolsInjectionMemoryAllocator.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/sqlite3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libcupti.so.12.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libcupti.so.10.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvlog.config.template\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libcupti.so.11.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvToolsExtOpenCL.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvtx3.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvToolsExtCuda.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvToolsExtCudaRt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvToolsExt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxImplOpenCL_v3.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxInit.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxLinkOnce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxInitDecls.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxInitDefs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxImplCuda_v3.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxImpl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxImplCudaRt_v3.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxImplCore.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxImplSync_v3.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvtxDetail/nvtxTypes.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/nvtx/include/nvtx3/nvToolsExtSync.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/README.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/openacc_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/dx12_pix_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/cuda_api_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/nvvideo_api_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/nvtx_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/cuda_gpu_kern_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/nvtx_pushpop_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/um_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/cuda_kern_exec_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/opengl_khr_range_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/nvtx_kern_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/openmp_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/mpi_event_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/_sql.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/um_total_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/cuda_api_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/_sqlfile.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/vulkan_gpu_marker_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/nvtx_gpu_proj_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/nvtx_gpu_proj_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/cuda_gpu_mem_size_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/nvtx_pushpop_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/cuda_gpu_kern_gb_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/um_cpu_page_faults_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/network_congestion.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/dx11_pix_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/vulkan_marker_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/vulkan_api_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/cuda_kern_exec_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/mpi_event_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/vulkan_api_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/nvtx_startend_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/cuda_gpu_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/opengl_khr_gpu_range_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/cuda_gpu_trace.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/osrt_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/_tbl.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/_values.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/wddm_queue_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/dx12_gpu_marker_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/cuda_api_gpu_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/reports/cuda_gpu_mem_time_sum.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libToolsInjectionOpenMPI64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libToolsInjectionCuBLAS64_10.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libcupti.so.11.4\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/target-linux-x64/libcupti.so.11.7\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/resources/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/resources/qtwebengine_resources_200p.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/resources/qtwebengine_resources_100p.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/resources/icudtl.dat\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/resources/qtwebengine_resources.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/resources/qtwebengine_devtools_resources.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libGpuInfo.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/QuadDPlugin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/QuadDPlugin/default.layout\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/QuadDPlugin/Manifest.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/QuadDPlugin/libQuadDPlugin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/tls/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/tls/libqopensslbackend.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/tls/libqcertonlybackend.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/TimelinePlugin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/TimelinePlugin/Manifest.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/TimelinePlugin/libTimelinePlugin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/SassDebuggerPlugin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/SassDebuggerPlugin/libSassDebuggerPlugin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/libTPSSystemServerPlugin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/libExternalIntegrationPlugin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/wayland-shell-integration/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/wayland-shell-integration/libivi-shell.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/wayland-shell-integration/libxdg-shell.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/wayland-shell-integration/libfullscreen-shell-v1.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/wayland-shell-integration/libwl-shell-plugin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/CorePlugin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/CorePlugin/libCorePlugin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/libTPSConnectionPlugin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/wayland-decoration-client/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/wayland-decoration-client/libbradient.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/libWindowsPlatformPlugin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/libArmServerPlatformPlugin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/wayland-graphics-integration-client/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/wayland-graphics-integration-client/libvulkan-server.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/wayland-graphics-integration-client/libqt-plugin-wayland-egl.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/wayland-graphics-integration-client/libshm-emulation-server.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/imageformats/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/imageformats/libqtga.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/imageformats/libqsvg.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/imageformats/libqico.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/imageformats/libqgif.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/imageformats/libqwbmp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/imageformats/libqtiff.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/imageformats/libqjpeg.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/xcbglintegrations/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/xcbglintegrations/libqxcb-glx-integration.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/RebelPlugin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/RebelPlugin/libRebelPlugin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/libLinuxPlatformPlugin.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/platforms/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/platforms/libqoffscreen.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/platforms/libqwayland-egl.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/platforms/libqwayland-generic.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Plugins/platforms/libqxcb.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libCore.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6UiTools.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libEventSource.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libboost_serialization.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libAppLib.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libProtobufComm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libpfm.so.4\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Sensors.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libAnalysisProto.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libboost_system.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libNvtxExtData.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libCommonProtoServices.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libssl.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6QuickParticles.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libGpuTraits.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libAnalysisContainersData.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libstdc++.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libTimelineAssert.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libInterfaceSharedBase.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libInterfaceShared.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/ncu-ui.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libEventsView.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libGenericHierarchy.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6StateMachine.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libCudaDrvApiWrapper.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Sql.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libSshClient.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libTelemetryQuadDClient.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libSymbolDemangler.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6QmlModels.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Quick.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libStreamSections.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libSymbolAnalyzerLight.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Mesa/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Mesa/libGL.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Mesa/libGL.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/Mesa/libGL.so.1.5.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Charts.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libboost_date_time.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6OpenGLWidgets.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libNvQtGui.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libboost_iostreams.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libInterfaceData.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libparquet.so.500\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libarrow.so.500\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libssh.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libInterfaceSharedLoggers.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libDevicePropertyProto.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libpapi.so.5\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libNetworkInfo.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Core.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Designer.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/ncu-ui.bin\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6QuickTest.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libProcessLauncher.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libcrypto.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libTimelineCommon.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libnvlog.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libparquet.so.500.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/ExternalIntegration.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libboost_timer.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libparquet.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libAppLibInterfaces.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libsqlite3.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libicudata.so.71\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libTimelineUIUtils.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libAgentAPI.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Network.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libprotobuf-shared.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6WebEngineCore.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libarrow.so.500.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6QuickWidgets.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libboost_chrono.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQuiverContainers.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6SvgWidgets.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libDeviceProperty.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6DesignerComponents.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libexec/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libexec/QtWebEngineProcess\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libexec/qt.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libHostCommon.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libboost_container.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libCommonNsysServer.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libicui18n.so.71\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/bn.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/fi.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/en-GB.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/hr.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/lt.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/ca.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/ta.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/sw.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/zh-TW.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/fil.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/et.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/fr.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/uk.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/sk.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/pt-PT.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/hu.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/kn.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/en-US.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/de.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/pt-BR.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/ru.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/nl.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/hi.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/sl.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/am.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/ml.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/bg.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/sv.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/tr.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/nb.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/ms.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/id.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/fa.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/lv.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/gu.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/zh-CN.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/th.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/cs.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/es.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/ko.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/mr.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/vi.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/ar.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/pl.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/te.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/da.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/es-419.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/he.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/sr.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/ja.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/el.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/it.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/translations/qtwebengine_locales/ro.pak\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libboost_filesystem.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libInjectionCommunicator.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libInterfaceSharedCore.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libNvmlWrapper.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Help.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libProtobufCommProto.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libAnalysis.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6PrintSupport.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libarrow.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6WaylandClient.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libNsysServerProto.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/CrashReporter\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libboost_program_options.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libicuuc.so.71\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Concurrent.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libboost_regex.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/QdstrmImporter\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Qml.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libexporter.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6WaylandCompositor.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libcrypto.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6WebEngineWidgets.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libssl.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6MultimediaQuick.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libAssert.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libzstd.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQuiverEvents.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6XcbQpa.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libfreetype.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libLinuxPerf.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6WebChannel.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libboost_python310.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libTimelineWidget.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6OpenGL.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/OpenGLVersionChecker\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libAnalysisData.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Xml.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Positioning.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libboost_atomic.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Multimedia.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6DBus.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6MultimediaWidgets.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Gui.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libboost_thread.so.1.78.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6WaylandEglCompositorHwIntegration.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Svg.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libProtobufCommClient.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libCommonProtoStreamSections.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Widgets.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6Test.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/ncu-ui\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQtPropertyBrowser.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/host/linux-desktop-glibc_2_11_3-x64/libQt6WaylandEglClientHwIntegration.so.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/profilers/Nsight_Compute/ncu-ui\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/libsanitizer-public.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/TreeLauncherTargetLdPreloadHelper\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/libInterceptorInjectionTarget.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/compute-sanitizer\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/libTreeLauncherTargetInjection.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/libTreeLauncherPlaceholder.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/libsanitizer-collection.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/generated_cuda_profiler_api_meta.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/sanitizer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/sanitizer_runtime_cbid.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/sanitizer_barrier.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/generated_cuda_meta.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/generated_cuda_gl_interop_meta.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/sanitizer_callbacks.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/sanitizer_memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/generated_cudaVDPAU_meta.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/sanitizer_stream.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/sanitizer_driver_cbid.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/generated_cudaGL_meta.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/generated_cuda_runtime_api_meta.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/sanitizer_result.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/sanitizer_patching.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/include/generated_cuda_vdpau_interop_meta.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/search.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/ReleaseNotes/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/ReleaseNotes/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/SanitizerNvtxGuide/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/SanitizerNvtxGuide/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/content/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/content/notices.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__MemcpyData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__ExternalMemoryData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/modules.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__BatchMemopData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__GraphNodeLaunchData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__SynchronizeData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/group__SANITIZER__PATCHING__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__LaunchData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__ResourceMempoolData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__CallbackData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__ResourceArrayData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structs.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__ResourceContextData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__ResourceModuleData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__MemsetData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__ResourceStreamData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/group__SANITIZER__CALLBACK__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__UvmData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/group__SANITIZER__BARRIER__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__EventData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/group__SANITIZER__STREAM__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__ResourceVirtualRange.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/group__SANITIZER__MEMORY__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/group__SANITIZER__RESULT__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__ResourceMemoryData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__ResourceFunctionsLazyLoadedData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__GraphExecData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/api/structSanitizer__GraphLaunchData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_sphinx_design_static/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_sphinx_design_static/design-style.b7bb847fb20b106c3d81b95245e65545.min.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_sphinx_design_static/design-tabs.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/objects.inv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/VERSION\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/CopyrightAndLicenses/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/CopyrightAndLicenses/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/theme-setter.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/doctools.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/jquery-3.5.1.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/file.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/version.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/omni-style-dark.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/theme-switcher-general.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/Logo_and_CUDA.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/NVIDIA-LogoWhite.svg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/twemoji.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/design-style.b7bb847fb20b106c3d81b95245e65545.min.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/main_ov_logo_square.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/plus.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/language_data.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/underscore-1.13.1.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/social-media.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/documentation_options.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/twemoji.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/searchtools.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/design-tabs.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/js/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/js/html5shiv.min.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/js/badge_only.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/js/theme.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/js/html5shiv-printshiv.min.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/lunr.min.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/api-styles.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/api-styles-dark.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/mermaid-init.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/basic.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/pygments.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/favicon.ico\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/jquery.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/omni-style.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/NVIDIA-LogoBlack.svg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/badge_only.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/theme.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/lato-normal-italic.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/lato-normal.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/lato-normal.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/fontawesome-webfont.svg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/Roboto-Slab-Bold.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/lato-bold.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/fontawesome-webfont.ttf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/Roboto-Slab-Bold.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/fontawesome-webfont.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/fontawesome-webfont.eot\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/lato-normal-italic.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/lato-bold-italic.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/Roboto-Slab-Regular.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/fontawesome-webfont.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/lato-bold-italic.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/lato-bold.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/css/fonts/Roboto-Slab-Regular.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/underscore.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/minus.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/main_ov_logo_rect.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_static/lunr_search.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/ComputeSanitizer/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/ComputeSanitizer/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_images/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_images/use-after-free.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_images/use-before-alloc.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_images/no-padding.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/_images/padding.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/searchindex.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/SanitizerApi/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/SanitizerApi/table-of-contents.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/genindex.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/project.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/SanitizerApiGuide/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/docs/SanitizerApiGuide/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/x86/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/x86/TreeLauncherTargetLdPreloadHelper\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/x86/libInterceptorInjectionTarget.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/x86/libTreeLauncherTargetInjection.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/x86/libTreeLauncherPlaceholder.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/x86/TreeLauncherSubreaper\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/x86/libTreeLauncherTargetUpdatePreloadInjection.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/TreeLauncherSubreaper\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compute-sanitizer/libTreeLauncherTargetUpdatePreloadInjection.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/EULA.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/nvvp.ini\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.help_2.0.102.v20140925-0400/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.help_2.0.102.v20140925-0400/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.help_2.0.102.v20140925-0400/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.help_2.0.102.v20140925-0400/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.help_2.0.102.v20140925-0400/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.help_2.0.102.v20140925-0400/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.help_2.0.102.v20140925-0400/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.help_2.0.102.v20140925-0400/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.help_2.0.102.v20140925-0400/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.platform_4.4.0.v20140925-0400/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.platform_4.4.0.v20140925-0400/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.platform_4.4.0.v20140925-0400/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.platform_4.4.0.v20140925-0400/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.platform_4.4.0.v20140925-0400/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.platform_4.4.0.v20140925-0400/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.platform_4.4.0.v20140925-0400/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.platform_4.4.0.v20140925-0400/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.platform_4.4.0.v20140925-0400/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.feature_3.9.1.v20140827-1444/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.feature_3.9.1.v20140827-1444/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.feature_3.9.1.v20140827-1444/META-INF/eclipse.inf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.feature_3.9.1.v20140827-1444/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.feature_3.9.1.v20140827-1444/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.feature_3.9.1.v20140827-1444/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.feature_3.9.1.v20140827-1444/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.feature_3.9.1.v20140827-1444/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.feature_3.9.1.v20140827-1444/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.feature_3.9.1.v20140827-1444/asl-v20.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.feature_3.9.1.v20140827-1444/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.feature_3.9.1.v20140827-1444/about.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rcp_4.4.0.v20140925-0400/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rcp_4.4.0.v20140925-0400/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rcp_4.4.0.v20140925-0400/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rcp_4.4.0.v20140925-0400/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rcp_4.4.0.v20140925-0400/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rcp_4.4.0.v20140925-0400/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rcp_4.4.0.v20140925-0400/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rcp_4.4.0.v20140925-0400/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rcp_4.4.0.v20140925-0400/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.core.feature_1.3.0.v20140523-0116/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.core.feature_1.3.0.v20140523-0116/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.core.feature_1.3.0.v20140523-0116/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.core.feature_1.3.0.v20140523-0116/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.core.feature_1.3.0.v20140523-0116/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.core.feature_1.3.0.v20140523-0116/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.core.feature_1.3.0.v20140523-0116/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.core.feature_1.3.0.v20140523-0116/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.core.feature_1.3.0.v20140523-0116/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.viper.feature_12.6.0.202409191455/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.viper.feature_12.6.0.202409191455/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.viper.feature_12.6.0.202409191455/META-INF/maven/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.viper.feature_12.6.0.202409191455/META-INF/maven/com.nvidia.viper/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.viper.feature_12.6.0.202409191455/META-INF/maven/com.nvidia.viper/com.nvidia.viper.feature/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.viper.feature_12.6.0.202409191455/META-INF/maven/com.nvidia.viper/com.nvidia.viper.feature/pom.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.viper.feature_12.6.0.202409191455/META-INF/maven/com.nvidia.viper/com.nvidia.viper.feature/pom.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.viper.feature_12.6.0.202409191455/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.viper.feature_12.6.0.202409191455/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.e4.rcp_1.3.100.v20140909-1633/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.e4.rcp_1.3.100.v20140909-1633/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.e4.rcp_1.3.100.v20140909-1633/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.e4.rcp_1.3.100.v20140909-1633/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.e4.rcp_1.3.100.v20140909-1633/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.e4.rcp_1.3.100.v20140909-1633/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.e4.rcp_1.3.100.v20140909-1633/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.e4.rcp_1.3.100.v20140909-1633/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.e4.rcp_1.3.100.v20140909-1633/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.extras.feature_1.2.0.v20140911-0143/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.extras.feature_1.2.0.v20140911-0143/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.extras.feature_1.2.0.v20140911-0143/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.extras.feature_1.2.0.v20140911-0143/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.extras.feature_1.2.0.v20140911-0143/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.extras.feature_1.2.0.v20140911-0143/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.extras.feature_1.2.0.v20140911-0143/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.extras.feature_1.2.0.v20140911-0143/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.extras.feature_1.2.0.v20140911-0143/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.feature_3.9.0.v20140827-1444/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.feature_3.9.0.v20140827-1444/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.feature_3.9.0.v20140827-1444/META-INF/eclipse.inf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.feature_3.9.0.v20140827-1444/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.feature_3.9.0.v20140827-1444/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.feature_3.9.0.v20140827-1444/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.feature_3.9.0.v20140827-1444/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.feature_3.9.0.v20140827-1444/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.feature_3.9.0.v20140827-1444/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.feature_3.9.0.v20140827-1444/asl-v20.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.feature_3.9.0.v20140827-1444/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.feature_3.9.0.v20140827-1444/about.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.core_3.4.100.201406091451/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.core_3.4.100.201406091451/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.core_3.4.100.201406091451/META-INF/maven/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.core_3.4.100.201406091451/META-INF/maven/org.eclipse.tm.features/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.core_3.4.100.201406091451/META-INF/maven/org.eclipse.tm.features/org.eclipse.rse.core/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.core_3.4.100.201406091451/META-INF/maven/org.eclipse.tm.features/org.eclipse.rse.core/pom.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.core_3.4.100.201406091451/META-INF/maven/org.eclipse.tm.features/org.eclipse.rse.core/pom.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.core_3.4.100.201406091451/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.core_3.4.100.201406091451/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.core_3.4.100.201406091451/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.core_3.4.100.201406091451/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.core_3.4.100.201406091451/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.core_3.4.100.201406091451/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.core_3.4.100.201406091451/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.rcp.feature_1.2.0.v20140523-0116/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.rcp.feature_1.2.0.v20140523-0116/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.rcp.feature_1.2.0.v20140523-0116/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.rcp.feature_1.2.0.v20140523-0116/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.rcp.feature_1.2.0.v20140523-0116/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.rcp.feature_1.2.0.v20140523-0116/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.rcp.feature_1.2.0.v20140523-0116/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.rcp.feature_1.2.0.v20140523-0116/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.rcp.feature_1.2.0.v20140523-0116/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.ecore_2.10.1.v20140901-1043/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.ecore_2.10.1.v20140901-1043/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.ecore_2.10.1.v20140901-1043/META-INF/eclipse.inf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.ecore_2.10.1.v20140901-1043/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.ecore_2.10.1.v20140901-1043/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.ecore_2.10.1.v20140901-1043/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.ecore_2.10.1.v20140901-1043/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.ecore_2.10.1.v20140901-1043/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.ecore_2.10.1.v20140901-1043/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.ecore_2.10.1.v20140901-1043/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.ssh_3.0.500.201406020016/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.ssh_3.0.500.201406020016/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.ssh_3.0.500.201406020016/META-INF/maven/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.ssh_3.0.500.201406020016/META-INF/maven/org.eclipse.tm.features/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.ssh_3.0.500.201406020016/META-INF/maven/org.eclipse.tm.features/org.eclipse.rse.ssh/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.ssh_3.0.500.201406020016/META-INF/maven/org.eclipse.tm.features/org.eclipse.rse.ssh/pom.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.ssh_3.0.500.201406020016/META-INF/maven/org.eclipse.tm.features/org.eclipse.rse.ssh/pom.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.ssh_3.0.500.201406020016/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.ssh_3.0.500.201406020016/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.ssh_3.0.500.201406020016/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.ssh_3.0.500.201406020016/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.ssh_3.0.500.201406020016/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.ssh_3.0.500.201406020016/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.ssh_3.0.500.201406020016/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.ssl.feature_1.0.0.v20140827-1444/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.ssl.feature_1.0.0.v20140827-1444/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.ssl.feature_1.0.0.v20140827-1444/META-INF/eclipse.inf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.ssl.feature_1.0.0.v20140827-1444/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.ssl.feature_1.0.0.v20140827-1444/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.ssl.feature_1.0.0.v20140827-1444/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.ssl.feature_1.0.0.v20140827-1444/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.ssl.feature_1.0.0.v20140827-1444/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.ssl.feature_1.0.0.v20140827-1444/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.ssl.feature_1.0.0.v20140827-1444/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.ssl.feature_1.0.0.v20140827-1444/about.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.ssl.feature_1.0.0.v20140827-1444/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.ssl.feature_1.0.0.v20140827-1444/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.ssl.feature_1.0.0.v20140827-1444/META-INF/eclipse.inf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.ssl.feature_1.0.0.v20140827-1444/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.ssl.feature_1.0.0.v20140827-1444/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.ssl.feature_1.0.0.v20140827-1444/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.ssl.feature_1.0.0.v20140827-1444/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.ssl.feature_1.0.0.v20140827-1444/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.ssl.feature_1.0.0.v20140827-1444/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.ssl.feature_1.0.0.v20140827-1444/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.ssl.feature_1.0.0.v20140827-1444/about.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.user.ui_2.2.0.v20140911-0143/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.user.ui_2.2.0.v20140911-0143/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.user.ui_2.2.0.v20140911-0143/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.user.ui_2.2.0.v20140911-0143/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.user.ui_2.2.0.v20140911-0143/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.user.ui_2.2.0.v20140911-0143/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.user.ui_2.2.0.v20140911-0143/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.user.ui_2.2.0.v20140911-0143/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.equinox.p2.user.ui_2.2.0.v20140911-0143/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.local_2.1.500.201406020016/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.local_2.1.500.201406020016/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.local_2.1.500.201406020016/META-INF/maven/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.local_2.1.500.201406020016/META-INF/maven/org.eclipse.tm.features/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.local_2.1.500.201406020016/META-INF/maven/org.eclipse.tm.features/org.eclipse.rse.local/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.local_2.1.500.201406020016/META-INF/maven/org.eclipse.tm.features/org.eclipse.rse.local/pom.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.local_2.1.500.201406020016/META-INF/maven/org.eclipse.tm.features/org.eclipse.rse.local/pom.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.local_2.1.500.201406020016/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.local_2.1.500.201406020016/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.local_2.1.500.201406020016/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.local_2.1.500.201406020016/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.local_2.1.500.201406020016/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.local_2.1.500.201406020016/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.rse.local_2.1.500.201406020016/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.common_2.10.1.v20140901-1043/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.common_2.10.1.v20140901-1043/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.common_2.10.1.v20140901-1043/META-INF/eclipse.inf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.common_2.10.1.v20140901-1043/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.common_2.10.1.v20140901-1043/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.common_2.10.1.v20140901-1043/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.common_2.10.1.v20140901-1043/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.common_2.10.1.v20140901-1043/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.common_2.10.1.v20140901-1043/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.emf.common_2.10.1.v20140901-1043/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.ssl.feature_1.0.0.v20140827-1444/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.ssl.feature_1.0.0.v20140827-1444/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.ssl.feature_1.0.0.v20140827-1444/META-INF/eclipse.inf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.ssl.feature_1.0.0.v20140827-1444/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.ssl.feature_1.0.0.v20140827-1444/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.ssl.feature_1.0.0.v20140827-1444/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.ssl.feature_1.0.0.v20140827-1444/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.ssl.feature_1.0.0.v20140827-1444/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.ssl.feature_1.0.0.v20140827-1444/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.ssl.feature_1.0.0.v20140827-1444/asl-v20.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.ssl.feature_1.0.0.v20140827-1444/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.filetransfer.httpclient4.ssl.feature_1.0.0.v20140827-1444/about.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.feature_1.1.0.v20140827-1444/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.feature_1.1.0.v20140827-1444/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.feature_1.1.0.v20140827-1444/META-INF/eclipse.inf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.feature_1.1.0.v20140827-1444/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.feature_1.1.0.v20140827-1444/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.feature_1.1.0.v20140827-1444/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.feature_1.1.0.v20140827-1444/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.feature_1.1.0.v20140827-1444/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.feature_1.1.0.v20140827-1444/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.feature_1.1.0.v20140827-1444/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/org.eclipse.ecf.core.feature_1.1.0.v20140827-1444/about.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.remote.feature_12.6.0.202409191455/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.remote.feature_12.6.0.202409191455/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.remote.feature_12.6.0.202409191455/META-INF/maven/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.remote.feature_12.6.0.202409191455/META-INF/maven/com.nvidia.cuda.ide/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.remote.feature_12.6.0.202409191455/META-INF/maven/com.nvidia.cuda.ide/com.nvidia.cuda.ide.remote.feature/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.remote.feature_12.6.0.202409191455/META-INF/maven/com.nvidia.cuda.ide/com.nvidia.cuda.ide.remote.feature/pom.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.remote.feature_12.6.0.202409191455/META-INF/maven/com.nvidia.cuda.ide/com.nvidia.cuda.ide.remote.feature/pom.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.remote.feature_12.6.0.202409191455/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.remote.feature_12.6.0.202409191455/license.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.remote.feature_12.6.0.202409191455/feature.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.remote.feature_12.6.0.202409191455/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.editor.feature_12.6.0.202409191455/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.editor.feature_12.6.0.202409191455/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.editor.feature_12.6.0.202409191455/META-INF/maven/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.editor.feature_12.6.0.202409191455/META-INF/maven/com.nvidia.cuda.ide/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.editor.feature_12.6.0.202409191455/META-INF/maven/com.nvidia.cuda.ide/com.nvidia.cuda.ide.editor.feature/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.editor.feature_12.6.0.202409191455/META-INF/maven/com.nvidia.cuda.ide/com.nvidia.cuda.ide.editor.feature/pom.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.editor.feature_12.6.0.202409191455/META-INF/maven/com.nvidia.cuda.ide/com.nvidia.cuda.ide.editor.feature/pom.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.editor.feature_12.6.0.202409191455/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/features/com.nvidia.cuda.ide.editor.feature_12.6.0.202409191455/feature.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.core/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.core/cache/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.core/cache/artifacts.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.core/cache/binary/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.core/cache/binary/org.eclipse.platform_root_4.4.0.v20140925-0400\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.core/cache/binary/org.eclipse.rcp_root_4.4.0.v20140925-0400\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.core/cache/binary/com.nvidia.viper.application.product.executable.gtk.linux.x86_64_12.6.0.202409191455\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.engine/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.engine/profileRegistry/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.engine/profileRegistry/DefaultProfile.profile/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.engine/profileRegistry/DefaultProfile.profile/1726757734188.profile.gz\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.engine/profileRegistry/DefaultProfile.profile/1726757732576.profile.gz\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.engine/profileRegistry/DefaultProfile.profile/.lock\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.engine/profileRegistry/DefaultProfile.profile/1726757733893.profile.gz\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.engine/profileRegistry/DefaultProfile.profile/1726757732557.profile.gz\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.engine/.settings/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.engine/.settings/org.eclipse.equinox.p2.artifact.repository.prefs\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/p2/org.eclipse.equinox.p2.engine/.settings/org.eclipse.equinox.p2.metadata.repository.prefs\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/configuration/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/configuration/config.ini\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/configuration/org.eclipse.update/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/configuration/org.eclipse.update/platform.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/artifacts.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/notice.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/nvvp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/.eclipseproduct\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/epl-v10.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/readme/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/readme/readme_eclipse.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.ui.workbench.renderers.swt_0.12.1.v20140903-1023.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.databinding.beans_1.2.200.v20140214-0004.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.http.registry_1.1.300.v20130402-1529.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.filesystem.linux.x86_64_1.2.200.v20140124-1940.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.shells.ui_3.0.500.201403271554.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/about.mappings\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/disabled_book.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/splash.bmp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/eclipse256.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/eclipse24.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/eclipse_lg.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/eclipse22.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/eclipse_lg.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro-eclipse.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/plugin.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/eclipse64.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/eclipse16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/eclipse48.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/eclipse128.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/cheatsheets/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/cheatsheets/cvs_merge.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/cheatsheets/cvs_checkout.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/about.ini\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/plugin_customization.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/macosx_narrow_book.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/eclipse48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/eclipse32.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/helpData.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/narrow_book.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/eclipse1024.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/introData.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/book.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/eclipse32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/eclipse512.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/about.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/dragHandle.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/winXPOlive.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/gtkTSFrame.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/win7.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/winXPTSFrame.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/winXPBlue.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/win7TSFrame.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/winClassicTSFrame.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/winXPHandle.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/winXPBluTSFrame.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/winXPBluHandle.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/win7Handle.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/macGrey.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/macHandle.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/macTSFrame.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/ov_wbbasics48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/tu_checkout48_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/wn_eclcommunity48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/ov_teamsup48_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/wn_migrate48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/wn_eclplatform48_hov.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/wn_eclplatform48.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/wn_eclcommunity48_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/arrow.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/wn_updates48_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/tu_merge48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/tu_merge48_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/ov_wbbasics48_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/wn_updates48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/tu_checkout48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/ov_teamsup48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/topiclabel/wn_migrate48_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/winClassicHandle.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/images/gtkHandle.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/LegacyIDE.e4xmi\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/plugin.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/platform.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/plugin_customization.ini\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/about.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/eclipse16.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro/whatsnewExtensionContent3.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro/tutorialsExtensionContent.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro/overviewExtensionContent.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro/whatsnewExtensionContent1.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro/whatsnewExtensionContent2.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro/css/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro/css/migrate.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro/css/overview.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro/css/migrate.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro/css/tutorials.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro/css/tutorials.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro/css/whatsnew.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro/css/whatsnew.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro/css/overview.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/intro/migrateExtensionContent.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform_4.4.0.v20140925-0400/eclipse256.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.item.crosstab.core_4.4.1.v201408290142.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.reconciler.dropins_1.1.200.v20131119-0908.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.ui_2.3.0.v20140404-1657.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.jface.databinding_1.6.200.v20140528-1422.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.jsp.jasper.registry_1.0.300.v20130327-1442.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/com.nvidia.pgprof.help.pug_12.6.0.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.lucene.core_3.5.0.v20120725-1805.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.emf.ecore_2.10.1.v20140901-1043.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/com.nvidia.pgprof.application_12.6.0.202409191455.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.chart.reportitem_4.4.1.v201408290142.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.ide_3.10.1.v20140828-0944.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/javax.servlet_3.0.0.v201112011016.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.dom.svg_1.1.0.v201011041433.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.osgi.services_3.4.0.v20140312-2051.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/javax.servlet.jsp_2.2.0.v201112011158.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.emf.ecore.xmi_2.10.1.v20140901-1043.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.batik.util.gui_1.6.0.v201011041432.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.resources_3.9.1.v20140825-1431.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.swt_3.103.1.v20140903-1938.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.core.di_1.4.0.v20140414-1837.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.filebuffers_3.5.400.v20140127-1516.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.engine.script.javascript_4.4.1.v201408290142.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.net.linux.x86_64_1.1.100.v20140124-2013.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.commands_3.6.100.v20140528-1422.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/about.mappings\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/about_files/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/about_files/copyright-software-20021231_files/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/about_files/copyright-software-20021231_files/base.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/about_files/copyright-software-20021231.htm\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/META-INF/eclipse.inf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/lib/flute.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/about.ini\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/eclipse32.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/about.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.sac_1.3.0.v201405191524/about.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.cdt.ui_5.8.0.nvidia-qualifier.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.model_4.4.1.v201409160530.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.ui.workbench.swt_0.12.100.v20140530-1436.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.registry_3.5.400.v20140428-1507.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.services.local_2.2.0.201403251512.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.security.ui_1.1.200.v20130626-2037.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.batik.transcoder_1.6.0.v201011041432.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.variables_3.2.800.v20130819-1716.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.data.adapter_4.4.1.v201408290142.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.ui.model.workbench_1.1.0.v20140512-1820.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.garbagecollector_1.0.200.v20131115-1210.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.compare.core_3.5.400.v20130903-0736.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.publisher.eclipse_1.1.200.v20140414-0825.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.concurrent_1.1.0.v20130327-1442.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.jsch.core_1.1.500.v20131112-1442.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/com.nvidia.viper.birt_12.6.0.202409191455.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.console_1.1.0.v20140131-1639.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.launcher.gtk.linux.x86_64_1.1.200.v20140603-1326/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.launcher.gtk.linux.x86_64_1.1.200.v20140603-1326/eclipse_1605.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.launcher.gtk.linux.x86_64_1.1.200.v20140603-1326/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.launcher.gtk.linux.x86_64_1.1.200.v20140603-1326/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.launcher.gtk.linux.x86_64_1.1.200.v20140603-1326/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.launcher.gtk.linux.x86_64_1.1.200.v20140603-1326/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.launcher.gtk.linux.x86_64_1.1.200.v20140603-1326/launcher.gtk.linux.x86_64.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.launcher.gtk.linux.x86_64_1.1.200.v20140603-1326/about.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.subsystems.files.ssh_2.1.300.201403100950.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.navigator.resources_3.4.700.v20140407-1004.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/com.nvidia.viper.help_12.6.0.202409191455.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.services.ssh_3.2.100.201403281521.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.batik.dom_1.6.0.v201011041432.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.batik.ext.awt_1.6.0.v201011041432.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.batik.util_1.7.0.v201011041433.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.director.app_1.0.300.v20140228-1829.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.mozilla.javascript_1.7.2.v201005080400.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rcp_4.3.100.v20140925-0400.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/com.nvidia.viper_12.6.0.202409191455.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.views_3.7.0.v20140408-0703.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.databinding.observable_1.4.1.v20140210-1835.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.ui.sdk.scheduler_1.2.0.v20140422-1847.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.css.sac_1.3.1.v200903091627.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.metadata_2.2.0.v20131211-1531.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.browser_3.4.200.v20131003-1453.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.launcher_1.3.0.v20140415-2008.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.compare_3.5.501.v20140817-1445.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.sat4j.core_2.3.5.v201308161310.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.core.contexts_1.3.100.v20140407-1019.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.updatechecker_1.1.200.v20131119-0908.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/javax.annotation_1.2.0.v201401042248.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.data.aggregation_4.4.1.v201409160530.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.jface.text_3.9.1.v20140827-1810.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.ui.workbench_1.2.1.v20140901-1244.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.preferences_3.5.200.v20140224-1527.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.jsp.jasper_1.0.400.v20130327-1442.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.jasper.glassfish_2.2.2.v201205150955.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.core.di.extensions_0.12.0.v20140417-2033.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.efs.ui_2.1.400.201403100950.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.data_4.4.1.v201409160530.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ecf.provider.filetransfer.httpclient4.ssl_1.0.0.v20140827-1444.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.batik.pdf_1.6.0.v201105071520.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.chart.engine_4.4.1.v201409160530.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.batik.css_1.6.0.v201011041432.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.console_3.5.300.v20140424-1437.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.draw2d_3.9.101.201408150207.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.repository_2.3.0.v20131211-1531.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.xml.resolver_1.2.0.v201005080400.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.frameworkadmin.equinox_1.0.500.v20131211-1531.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.chart.engine.extension_4.4.1.v201408290142.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.httpcomponents.httpcore_4.2.5.v201311072007.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.workbench_3.106.1.v20140827-1737.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.debug.core_3.9.1.v20140805-1629.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.debug.ui_3.10.1.v20140822-1408.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.simpleconfigurator.manipulator_2.0.0.v20131217-1203.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.databinding.property_1.4.200.v20140214-0004.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.navigator_3.5.401.v20140724-1117.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/com.jcraft.jsch_0.1.50.v201403120620.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.felix.gogo.command_0.10.0.v201209301215.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.externaltools_1.0.300.v20140219-0051.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.emf.ecore.change_2.10.0.v20140901-1043.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.httpcomponents.httpclient_4.2.6.v201311072007.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.editors_3.8.200.v20140401-1310.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.ide.application_1.0.500.v20140514-2033.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.core.commands_0.10.2.v20140424-2344.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.directorywatcher_1.1.0.v20131211-1531.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.dom.smil_1.0.0.v200806040011.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.batik.svggen_1.6.0.v201011041432.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ecf.ssl_1.1.0.v20140827-1444.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ant.core_3.3.0.v20140518-0042.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.subsystems.shells.core_3.1.300.201403271554.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.gef_3.8.2.nvidia-qualifier.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.batik.util_1.6.0.v201011041432.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui_3.106.0.v20140812-1751.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.frameworkadmin_2.0.100.v20131209-2144.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.lucene.analysis_3.5.0.v20120725-1805.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.felix.gogo.shell_0.10.0.v201212101605.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/com.nvidia.viper.application_12.6.0.202409191455.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/about_files/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/about_files/NOTICE\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/plugin.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/META-INF/eclipse.inf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/bin/antenv.cmd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/bin/ant.bat\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/bin/antRun\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/bin/runant.pl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/bin/runrc.cmd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/bin/complete-ant-cmd.pl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/bin/runant.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/bin/envset.cmd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/bin/antRun.bat\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/bin/ant.cmd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/bin/antRun.pl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/bin/ant\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/bin/lcp.bat\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-swing.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-apache-oro.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-jsch.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-commons-net.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-apache-regexp.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-jai.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-junit4.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-apache-bsf.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-apache-bcel.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-jmf.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-commons-logging.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-launcher.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-junit.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-testutil.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-apache-xalan2.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-antlr.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-netrexx.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-apache-resolver.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-jdepend.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/lib/ant-javamail.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/changelog.xsl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/mmetrics-frames.xsl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/jdepend-frames.xsl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/log.xsl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/tagdiff.xsl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/junit-frames.xsl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/jdepend.xsl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/maudit-frames.xsl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/junit-noframes.xsl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/ant-bootstrap.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/junit-frames-xalan1.xsl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/checkstyle/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/checkstyle/checkstyle-text.xsl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/checkstyle/checkstyle-frames.xsl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/checkstyle/checkstyle-xdoc.xsl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/etc/coverage-frames.xsl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.ant_1.9.2.v201404171502/about.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.metadata.repository_1.2.100.v20131209-2144.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.cdt.core_5.7.0.nvidia-qualifier.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/html/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/html/firststeps.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/html/shared.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/html/ltr.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/html/rtl.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/html/font-relative.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/html/font-absolute.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/html/overview.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/html/standby.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/html/samples.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/html/migrate.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/html/tutorials.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/html/whatsnew.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/html/webresources.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/html/root.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/swt/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/swt/samples.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/swt/migrate.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/swt/firststeps.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/swt/webresources.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/swt/tutorials.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/swt/whatsnew.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/swt/standby.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/swt/overview.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/swt/root.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/preview.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/launchbar/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/launchbar/migrate16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/launchbar/tutorials.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/launchbar/samples.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/launchbar/firststeps16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/launchbar/overview.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/launchbar/webresources16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/launchbar/whatsnew.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/contentpage/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/contentpage/overview_wtr.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/contentpage/backgroundcurve.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/contentpage/firsteps_wtr.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/contentpage/background.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/contentpage/samples_wtr.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/contentpage/webrsrc_wtr.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/contentpage/section1.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/contentpage/section4.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/contentpage/section3.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/contentpage/section2.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/contentpage/tutorials_wtr.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/contentpage/whatsnew_wtr.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/contentpage/migrate_wtr.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/swt/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/swt/form_banner.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/root/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/root/brandmark.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/root/background.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/root/dots.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/webrsrc72.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/samples72.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/migrate48sel.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/overview48sel.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/wb48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/firsteps72.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/migrate72.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/samples48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/tutorials72.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/whatsnew48sel.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/overview72.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/forward.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/tutorials48sel.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/back.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/whatsnew72.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/samples48sel.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/overview48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/firsteps48sel.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/webrsrc48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/firsteps48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/migrate48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/webrsrc48sel.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/tutorials48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/whatsnew48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/etool/home.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/dtool/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/dtool/forward.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/dtool/back.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/obj48/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/obj48/newhov_obj.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/obj48/new_obj.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/webrsrc72.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/firsteps16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/samples72.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/whatsnew16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/migrate48sel.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/overview48sel.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/wb48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/migrate16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/firsteps72.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/migrate72.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/samples16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/tutorials16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/samples48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/tutorials72.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/whatsnew48sel.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/overview72.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/forward.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/tutorials48sel.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/back.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/whatsnew72.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/samples48sel.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/overview48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/wb16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/firsteps48sel.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/webrsrc48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/firsteps48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/migrate48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/webrsrc48sel.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/tutorials48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/whatsnew48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/overview16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/home.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/purpleMesh/graphics/icons/ctool/webrsrc16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/html/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/html/firststeps.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/html/shared.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/html/ltr.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/html/rtl.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/html/font-relative.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/html/font-absolute.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/html/overview.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/html/standby.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/html/samples.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/html/migrate.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/html/tutorials.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/html/whatsnew.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/html/webresources.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/html/root.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/swt/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/swt/samples.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/swt/migrate.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/swt/firststeps.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/swt/webresources.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/swt/tutorials.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/swt/whatsnew.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/swt/standby.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/swt/overview.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/swt/root.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/preview.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/launchbar/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/launchbar/whatsnew16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/launchbar/migrate16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/launchbar/samples16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/launchbar/tutorials16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/launchbar/firststeps16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/launchbar/webresources16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/launchbar/overview16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/contentpage/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/contentpage/wn_banner.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/contentpage/mi_banner.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/contentpage/fs_banner.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/contentpage/ov_banner.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/contentpage/tu_banner.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/contentpage/sa_banner.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/contentpage/wr_banner.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/rootpage/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/rootpage/welcomebckgrd.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/wr_standby.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/fs_standbyhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/tu_standbyhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/sa_standbyhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/wn_standby.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/mi_standby.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/wb_standby.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/fs_standby.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/ov_standbyhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/mi_standbyhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/sa_standby.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/wb_standbyhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/wn_standbyhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/wr_standbyhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/ov_standby.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/standby/tu_standby.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/obj48/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/obj48/newhov_obj.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/obj48/new_obj.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/root_midhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/ov_nav_64.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/wb_nav_hover.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/wr_nav_32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/workbench.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/sa_nav_64.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/sa_nav_hover.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/overview_bottomhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/overview.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/tu_nav.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/tu_nav_64.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/wn_nav_64.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/tutorials_tophov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/root_midhov2.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/nav_rightedgehov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/sa_nav_32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/ov_nav_midhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/overview_tophov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/tutorials.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/webresources.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/migrate.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/sa_onesample48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/wn_nav_32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/wb_nav.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/whatsnew.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/ov_nav_32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/wn_nav_hover.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/workbench_midhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/workbench.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/wr_nav.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/firststeps.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/cpt_midhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/fs_nav_hover.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/firststeps.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/whatsnew_tophov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/cpt_bottomhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/arrow_rtl.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/tutorials.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/ov_nav_rightedgehov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/samples.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/ov_nav.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/overview.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/firststeps_tophov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/migrate_tophov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/wb_nav_32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/mi_nav.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/samples.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/overview_midhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/migrate.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/sa_nav.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/workbench_tophov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/tu_nav_hover.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/workbench_bottomhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/mi_nav_64.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/webresources_tophov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/nav_midhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/fs_nav_32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/tu_nav_32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/wr_nav_hover.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/webresources.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/root_bottomhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/mi_nav_hover.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/fs_nav_64.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/wn_nav.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/whatsnew.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/samples_tophov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/ov_nav_hover.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/fs_nav.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/content_nav_bar.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/wr_nav_64.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/circles/graphics/icons/ctool/mi_nav_32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/html/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/html/firststeps.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/html/shared.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/html/ltr.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/html/rtl.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/html/font-relative.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/html/font-absolute.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/html/overview.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/html/standby.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/html/samples.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/html/migrate.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/html/tutorials.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/html/whatsnew.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/html/webresources.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/html/root.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/swt/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/swt/samples.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/swt/migrate.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/swt/firststeps.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/swt/webresources.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/swt/tutorials.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/swt/whatsnew.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/swt/standby.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/swt/overview.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/swt/root.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/preview.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/launchbar/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/launchbar/whatsnew16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/launchbar/migrate16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/launchbar/samples16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/launchbar/tutorials16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/launchbar/firststeps16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/launchbar/webresources16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/launchbar/overview16.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/contentpage/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/contentpage/wn_banner.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/contentpage/mi_banner.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/contentpage/fs_banner.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/contentpage/ov_banner.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/contentpage/tu_banner.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/contentpage/sa_banner.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/contentpage/wr_banner.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/contentpage/banner_extension.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/migrate48_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/root_banner_logo.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/overview48_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/samples48.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/tutorials48_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/firststeps48.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/workbench48.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/webresources48_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/workbench48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/background.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/firststeps48_hov.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/whatsnew48.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/samples48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/tutorials48_hov.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/overview48.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/migrate48.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/firststeps48_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/root_banner.jpg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/firststeps48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/workbench48_hov.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/overview48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/webresources48_hov.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/samples48_hov.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/tutorials48.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/overview48_hov.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/webresources48.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/migrate48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/tutorials48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/whatsnew48_hov.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/whatsnew48_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/whatsnew48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/samples48_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/webresources48.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/migrate48_hov.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/rootpage/workbench48_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/wr_standby.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/fs_standbyhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/tu_standbyhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/sa_standbyhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/wn_standby.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/mi_standby.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/wb_standby.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/fs_standby.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/ov_standbyhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/mi_standbyhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/sa_standby.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/wb_standbyhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/wn_standbyhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/wr_standbyhov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/ov_standby.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/standby/tu_standby.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/firststeps-select.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/wr_nav_32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/overview.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/tu_nav.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/whatsnew-select.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/samples-select.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/sa_nav_32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/tutorials.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/webresources.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/samples-select.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/overview-select.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/tutorials-select.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/migrate.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/wn_nav_32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/wb_nav.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/whatsnew.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/ov_nav_32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/workbench.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/wr_nav.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/overview-select.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/migrate-select.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/firststeps.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/arrow_rtl.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/webresources-select.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/ov_nav.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/whatsnew-select.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/wb_nav_32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/mi_nav.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/samples.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/sa_nav.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/firststeps-select.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/fs_nav_32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/tu_nav_32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/webresources-select.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/wn_nav.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/migrate-select.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/tutorials-select.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/fs_nav.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/slate/graphics/icons/ctool/mi_nav_32.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/html/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/html/shared.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/contentpage/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/contentpage/tu-sa_high.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/contentpage/wn-fs_med.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/contentpage/wr-mi_med.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/contentpage/wr-mi_high.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/contentpage/ov_med.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/contentpage/ov_high.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/contentpage/grey_callout.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/contentpage/tu-sa_med.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/contentpage/wn-fs_high.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/icons/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/icons/ctool/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/icons/ctool/widget_closed_hov_rtl.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/icons/ctool/widget_open.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/icons/ctool/widget_closed_rtl.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/icons/ctool/arrow.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/icons/ctool/arrow_rtl.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/icons/ctool/widget_closed.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/icons/ctool/widget_closed_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/themes/shared/graphics/icons/ctool/widget_open_hov.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/plugin.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/introContent.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/.api_description\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/universal.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/.options\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/plugin.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/about.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/icons/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/icons/full/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/icons/full/obj16/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/icons/full/obj16/ilow_obj.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/icons/full/obj16/icallout_obj.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/icons/full/obj16/ihigh_obj.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/icons/full/obj16/extension_obj.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/icons/full/obj16/image_obj.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/icons/full/obj16/inew_obj.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/icons/full/elcl16/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/icons/full/elcl16/configure.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro.universal_3.2.700.v20130904-1701/icons/welcome16.gif\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.jarprocessor_1.0.300.v20131211-1531.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.subsystems.processes.local_2.1.400.201403100950.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.jface_3.10.1.v20140813-1009.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.filesystem_1.4.100.v20140514-1614.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.core.services_1.2.1.v20140808-1251.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.subsystems.files.local_2.1.300.201403251512.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ecf.filetransfer_5.0.0.v20140827-1444.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.nebula.widgets.pshelf_1.0.0.202409191455.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.ui.css.core_0.10.100.v20140424-2042.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.datatools.connectivity.oda.profile_3.2.9.v201403131814.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.views.properties.tabbed_3.6.0.v20140519-0906.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.console_1.0.300.v20131113-1212.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.batik.bridge_1.6.0.v201011041432.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ecf_3.4.0.v20140827-1444.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.core_2.3.0.v20131211-1531.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.help.ui_4.0.100.v20140401-0608.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.updatesite_1.0.400.v20131211-1531.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.osgi.compatibility.state_1.0.1.v20140709-1414.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.ui.workbench3_0.12.0.v20140227-2118.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.director_2.3.100.v20140224-1921.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.net_1.2.200.v20120807-0927.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.efs_2.1.401.201403100950.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/javax.inject_1.0.0.v20091030.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ecf.identity_3.4.0.v20140827-1444.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/com.nvidia.help.pug_12.6.0.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.externaltools_3.2.300.v20140327-1949.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ltk.ui.refactoring_3.7.100.v20140324-1358.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.contenttype_3.4.200.v20140207-1251.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.felix.gogo.runtime_0.10.0.v201209301036.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.osgi.util_3.3.0.v20131023-1243.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.w3c.dom.events_3.0.0.draft20060413_v201105210656.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.subsystems.processes.core_3.1.300.201403100950.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.filesystem.java7_1.0.0.v20140429-1531.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.runtime.compatibility.registry_3.5.300.v20140128-0851/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.runtime.compatibility.registry_3.5.300.v20140128-0851/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.runtime.compatibility.registry_3.5.300.v20140128-0851/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.runtime.compatibility.registry_3.5.300.v20140128-0851/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.runtime.compatibility.registry_3.5.300.v20140128-0851/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.runtime.compatibility.registry_3.5.300.v20140128-0851/.api_description\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.runtime.compatibility.registry_3.5.300.v20140128-0851/runtime_registry_compatibility.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.runtime.compatibility.registry_3.5.300.v20140128-0851/about.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.runtime.compatibility.registry_3.5.300.v20140128-0851/fragment.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.batik.dom.svg_1.6.0.v201011041432.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.ql_2.0.100.v20131211-1531.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.osgi_3.10.1.v20140909-1633.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ecf.provider.filetransfer.httpclient4_1.0.800.v20140827-1444.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.ui.services_1.1.0.v20140328-1925.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.help.base_4.0.200.v20140925-0400.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.files.ui_3.2.200.201403211850.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/javax.el_2.2.0.v201303151357.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.sat4j.pb_2.3.5.v201404071733.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.ui.widgets_1.0.0.v20140514-1823.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.cheatsheets_3.4.200.v20131227-1524.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.touchpoint.natives_1.1.100.v20140523-0116.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.operations_2.4.0.v20131119-0908.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.workbench.texteditor_3.9.0.v20140411-1521.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.ui.css.swt.theme_0.9.300.v20140424-2042.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.subsystems.shells.ssh_2.1.400.201403100950.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.team.ui_3.7.100.v20130710-1213.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.ui.bindings_0.10.200.v20140424-2042.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.chart.device.svg_4.4.1.v201408290142.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.artifact.repository_1.1.300.v20131211-1531.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.text_3.5.300.v20130515-1451.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.commons.logging_1.1.1.v201101211721.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.search_3.9.100.v20140226-1637.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.services_3.3.0.201403100950.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.jsch.ui_1.1.500.v20131112-1442.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.emf.common_2.10.1.v20140901-1043.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.expressions_3.4.600.v20140128-0851.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.datatools.connectivity.oda.consumer_3.2.6.v201403131814.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.engine.fonts_4.4.1.v201409031434/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.engine.fonts_4.4.1.v201409031434/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.engine.fonts_4.4.1.v201409031434/META-INF/eclipse.inf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.engine.fonts_4.4.1.v201409031434/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.engine.fonts_4.4.1.v201409031434/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.engine.fonts_4.4.1.v201409031434/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.engine.fonts_4.4.1.v201409031434/fontsConfig_linux.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.engine.fonts_4.4.1.v201409031434/fontsConfig.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.engine.fonts_4.4.1.v201409031434/fontsConfig_pdf.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.engine.fonts_4.4.1.v201409031434/fontsConfig_win32.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.engine.fonts_4.4.1.v201409031434/about.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.platform.doc.user_4.4.1.v20140829-1306.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.batik.xml_1.6.0.v201011041432.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.publisher_1.3.0.v20140911-0143.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ltk.core.refactoring_3.6.101.v20140817-1500.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.simpleconfigurator_1.1.0.v20131217-1203.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.importexport_1.2.300.201403100950.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.subsystems.shells.local_2.1.400.201403100950.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/com.nvidia.common_12.6.0.202409191455.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.ui.di_1.0.0.v20140328-2112.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.core_3.3.100.201406091451.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.batik.parser_1.6.0.v201011041432.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.engine_2.3.0.v20140506-1720.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.chart.device.swt_4.4.1.v201408290142.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.ds_1.4.200.v20131126-2331.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.connectorservice.local_2.1.400.201403100950.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.bidi_0.10.0.v20130327-1442.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.transport.ecf_1.1.0.v20140408-1354.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ecf.provider.filetransfer.ssl_1.0.0.v20140827-1444.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.cdt.core.native_5.7.0.201409172108.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.touchpoint.eclipse_2.1.200.v20140512-1650.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.engine_4.4.1.v201409160530.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.report.engine.emitter.pdf_4.4.1.v201408290142.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.common_3.6.200.v20130402-1505.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.datatools.connectivity.oda_3.4.3.v201405301249.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.runtime_3.10.0.v20140318-2214.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.ui.sdk_1.0.300.v20140407-1803.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/com.nvidia.cuda.ide.editor_12.6.0.202409191455.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.chart.device.extension_4.4.1.v201408290142.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.update.configurator_3.3.300.v20140518-1928.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.runtime.compatibility_3.2.200.v20140128-0851.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.extensionlocation_1.2.100.v20131119-0908.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/com.nvidia.cuda.ide.remote.connection_12.6.0.202409191455.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.ui.importexport_1.1.0.v20131210-1027.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.util_1.0.500.v20130404-1337.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/com.ibm.icu_52.1.0.v201404241930.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.connectorservice.ssh_2.1.300.201403100950.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.app_1.3.200.v20130910-1609.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.databinding_1.4.2.v20140729-1044.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.batik.css_1.7.0.v201011041433.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ecf.provider.filetransfer_3.2.200.v20140827-1444.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.ui.workbench.addons.swt_1.1.1.v20140903-0821.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/javax.xml_1.3.4.v201005080400.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.e4.ui.css.swt_0.11.101.v20140818-1343.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.subsystems.processes.shell.linux_1.1.400.201403100950.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.xml.serializer_2.7.1.v201005080400.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.xerces_2.9.0.v201101211617.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.team.core_3.7.0.v20130514-1224.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/com.lowagie.text_2.1.7.v201004222200.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.commons.codec_1.6.0.v201305230611.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.help_3.6.0.v20130326-1254.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.net_1.2.200.v20140124-2013.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.intro_3.4.200.v20130326-1254.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.subsystems.files.core_3.3.1.201403100950.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.birt.core_4.4.1.v201409160530.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.event_1.3.100.v20140115-1647.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.p2.repository.tools_2.1.0.v20131211-1531.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.core.jobs_3.6.0.v20140424-0053.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.ui_3.3.100.201404091417.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.forms_3.6.100.v20140422-1825.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.swt.gtk.linux.x86_64_3.103.1.v20140903-1947.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.datatools.connectivity_1.2.11.v201401230755.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.http.servlet_1.1.500.v20140318-1755.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.processes.ui_3.0.400.201403100950.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/plugin.properties\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/META-INF/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/META-INF/ECLIPSE_.SF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/META-INF/ECLIPSE_.RSA\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/META-INF/MANIFEST.MF\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/dragHandle.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/winXPOlive.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/gtkTSFrame.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/win7.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/winXPTSFrame.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/winXPBlue.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/win7TSFrame.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/winClassicTSFrame.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/winXPHandle.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/winXPBluTSFrame.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/winXPBluHandle.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/win7Handle.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/macGrey.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/macHandle.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/macTSFrame.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/winClassicHandle.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/images/gtkHandle.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/e4_default_winxp_blu.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/e4_default_gtk.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/e4_classic_winxp.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/e4_default_mac.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/dark/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/dark/e4-dark_globalstyle.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/dark/e4-dark_preferencestyle.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/dark/e4-dark_partstyle.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/dark/e4-dark_basestyle.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/e4_basestyle.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/e4_default_winxp_olv.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/e4-dark_mac.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/e4_classic_win7.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/high-contrast.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/e4-dark.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/e4-dark_win.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/e4_default_mru_on_win7.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/css/e4_default_win7.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/plugin.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.ui.themes_1.0.1.v20140819-1717/about.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/com.nvidia.help.bpg_12.6.0.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/com.sun.el_2.2.0.v201303151357.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.rse.doc.user_3.4.100.201403101646.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.apache.batik.util.gui_1.7.0.v200903091627.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.help.webapp_3.6.300.v20140407-1855.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/plugins/org.eclipse.equinox.security_1.2.0.v20130424-1801.jar\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/libnvvp/icon.xpm\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/tools/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/tools/CUDA_Occupancy_Calculator.xls\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/nvprune\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/bin2c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/cuda-gdb-python3.9-tui\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/nvdisasm\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/cudafe++\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/fatbinary\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/cuda-gdb\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/cu++filt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/nvlink\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/nvprof\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/cuda-gdb-python3.11-tui\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/nvcc.profile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/cuda-gdb-python3.12-tui\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/cuda-gdb-python3.8-tui\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/cuda-uninstaller\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/crt/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/crt/link.stub\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/crt/prelink.stub\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/__nvcc_device_query\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/nvvp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/cuda-gdb-python3.10-tui\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/nvcc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/computeprof\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/cuobjdump\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/ptxas\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/cuda-gdbserver\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/bin/cuda-gdb-minimal\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/lib64\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvrtc.so.12.6.77\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppig.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppicc.so.12.3.1.54\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppc_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libcudart.so.12.6.77\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvrtc-builtins_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppisu_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/cccl/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/cccl/cccl-config.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/cccl/cccl-config-version.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/thrust/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/thrust/README.md\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/thrust/thrust-header-search.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/thrust/thrust-config.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/thrust/thrust-config-version.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/thrust/FindTBB.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/cub/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/cub/cub-header-search.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/cub/cub-config-version.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/cub/cub-config.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/libcudacxx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/libcudacxx/libcudacxx-header-search.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/libcudacxx/libcudacxx-config-version.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/cmake/libcudacxx/libcudacxx-config.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libOpenCL.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libaccinj64.so.12.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppidei_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppif.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libOpenCL.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppim_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppicc.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvptxcompiler_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libcudart.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvrtc-builtins.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppim.so.12.3.1.54\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppial.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppif_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvjpeg.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnpps.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppicc_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvrtc.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppig.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libnppig.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libnppif.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libnppial.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libnvidia-ml.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libnpps.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libnppicc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libnvrtc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libnppist.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libnvidia-ml.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libnppim.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libnppitc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libcuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libnvJitLink.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libnppidei.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libnppc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libnvjpeg.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/stubs/libnppisu.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libcudart_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppim.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libOpenCL.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppicc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libOpenCL.so.1.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppidei.so.12.3.1.54\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppist_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libcudadevrt.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppial_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvrtc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppist.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppig_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvJitLink.so.12.6.77\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppif.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvrtc-builtins.so.12.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnpps_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvToolsExt.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppisu.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libcudart.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvJitLink_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppc.so.12.3.1.54\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvjpeg_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvToolsExt.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvjpeg.so.12.3.3.54\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppitc.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvJitLink.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvrtc_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libculibos.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppial.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppim.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppitc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libcuinj64.so.12.6.80\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppist.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppidei.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvJitLink.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppitc_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libcuinj64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppisu.so.12.3.1.54\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvrtc-builtins.so.12.6.77\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnpps.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libcufilt.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppig.so.12.3.1.54\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppidei.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libcuinj64.so.12.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppitc.so.12.3.1.54\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvToolsExt.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppial.so.12.3.1.54\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libaccinj64.so.12.6.80\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libaccinj64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnvjpeg.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppif.so.12.3.1.54\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppisu.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppist.so.12.3.1.54\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnpps.so.12.3.1.54\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/lib/libnppc.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/sm_32_atomic_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cudaProfiler.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/sm_30_intrinsics.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/npps_filtering_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/sm_20_intrinsics.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/device_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nppi_data_exchange_and_initialization.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/sm_20_atomic_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nppi_linear_transforms.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_fp8.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_pipeline_primitives.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvToolsExtOpenCL.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvPTXCompiler.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nppi.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nv_decode.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/vector_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_profiler_api.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/device_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_awbarrier_helpers.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/sm_30_intrinsics.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cudaTypedefs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/builtin_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_bf16.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/common_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/device_atomic_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvml.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/driver_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nppi_arithmetic_and_logical_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_surface_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvToolsExtOpenCL.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvToolsExtCuda.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvToolsExtCudaRt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvToolsExt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvtxDetail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvtxDetail/nvtxImplOpenCL_v3.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvtxDetail/nvtxInit.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvtxDetail/nvtxLinkOnce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvtxDetail/nvtxInitDecls.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvtxDetail/nvtxInitDefs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvtxDetail/nvtxImplCuda_v3.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvtxDetail/nvtxImpl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvtxDetail/nvtxImplCudaRt_v3.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvtxDetail/nvtxImplCore.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvtxDetail/nvtxImplSync_v3.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvtxDetail/nvtxTypes.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvtx3/nvToolsExtSync.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cudaEGL.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/npps_statistics_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cudaEGLTypedefs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nppi_color_conversion.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/device_launch_parameters.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nppcore.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_fp16.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/vector.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/scatter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/unique.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/reduce_intervals.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/uninitialized_fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/uninitialized_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/copy_if.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/reduce.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/logical.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/remove.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/memory.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/reduce_by_key.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/merge.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/unique_by_key.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/par.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/sort.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/scan.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/iter_swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/partition.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/per_device_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/tabulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/get_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/gather.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/unique_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/for_each.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/copy.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/reduce_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/transform_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/assign_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/swap_ranges.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/set_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/malloc_and_free.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/scan_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/detail/extrema.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/tbb/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/system_error.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/scatter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/stable_primitive_sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/copy_backward.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/uninitialized_fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/general_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/uninitialized_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/stable_radix_sort.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/logical.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/merge.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/stable_radix_sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/sort.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/iter_swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/stable_merge_sort.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/per_device_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/tabulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/get_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/gather.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/stable_primitive_sort.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/unique_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/copy.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/stable_merge_sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/reduce_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/transform_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/trivial_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/assign_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/swap_ranges.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/set_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/malloc_and_free.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/scan_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/insertion_sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/sequential/extrema.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/error_code.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/scatter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/uninitialized_fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/uninitialized_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/logical.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/iter_swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/per_device_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/tabulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/get_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/gather.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/unique_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/reduce_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/transform_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/assign_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/async/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/async/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/async/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/async/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/async/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/async/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/async/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/swap_ranges.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/set_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/malloc_and_free.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/scan_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/adl/extrema.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/system_error.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/error_condition.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/errno.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/select_system.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/temporary_buffer.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/inner_product.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/binary_search.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/generate.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/scatter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/unique.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/transform_reduce.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/advance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/uninitialized_fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/select_system_exists.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/uninitialized_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/select_system.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/copy_if.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/reduce.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/gather.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/uninitialized_fill.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/logical.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/remove.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/memory.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/reverse.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/reduce_by_key.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/merge.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/equal.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/unique_by_key.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/sort.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/scan.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/count.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/replace.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/scalar/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/scalar/binary_search.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/scalar/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/shuffle.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/partition.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/tag.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/advance.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/per_device_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/distance.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/distance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/tabulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/gather.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/unique_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/shuffle.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/copy.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/find.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/uninitialized_copy.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/reduce_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/transform_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/adjacent_difference.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/mismatch.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/scan_by_key.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/transform.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/swap_ranges.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/swap_ranges.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/set_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/extrema.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/scan_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/tabulate.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/set_operations.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/transform_scan.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/scatter.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/sequence.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/generic/extrema.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/internal/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/internal/decompose.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/bad_alloc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/detail/error_category.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/vector.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/error.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/terminate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/cross_system.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/scatter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/par_to_seq.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/parallel_for.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/core/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/core/alignment.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/core/triple_chevron_launch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/core/util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/core/agent_launcher.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/uninitialized_fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/uninitialized_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/logical.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/make_unsigned_special.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/memory.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/par.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/iter_swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/cdp_dispatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/per_device_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/tabulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/get_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/gather.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/unique_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/internal/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/internal/copy_device_to_device.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/internal/copy_cross_system.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/reduce_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/transform_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/assign_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/dispatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/async/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/async/customization.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/async/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/async/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/async/inclusive_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/async/exclusive_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/async/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/async/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/async/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/async/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/swap_ranges.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/set_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/malloc_and_free.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/scan_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/future.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/error.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/detail/extrema.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/future.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cuda/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/vector.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/vector.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/scatter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/uninitialized_fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/uninitialized_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/logical.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/memory.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/par.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/iter_swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/per_device_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/tabulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/get_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/gather.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/unique_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/reduce_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/transform_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/assign_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/swap_ranges.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/set_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/malloc_and_free.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/scan_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/detail/extrema.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/cpp/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/vector.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/scatter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/unique.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/reduce_intervals.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/uninitialized_fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/uninitialized_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/copy_if.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/reduce.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/logical.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/remove.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/memory.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/reduce_by_key.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/unique_by_key.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/par.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/sort.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/reduce_intervals.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/iter_swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/default_decomposition.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/partition.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/per_device_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/tabulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/get_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/gather.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/unique_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/for_each.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/copy.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/reduce_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/default_decomposition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/transform_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/assign_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/swap_ranges.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/set_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/malloc_and_free.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/pragma_omp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/scan_by_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/detail/extrema.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/omp/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system/error_code.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/optional.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/universal_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/scatter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/device_malloc_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/host_vector.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/normal_distribution.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/uniform_int_distribution.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/uniform_real_distribution.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/xor_combine_engine.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/detail/xor_combine_engine.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/detail/normal_distribution_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/detail/uniform_int_distribution.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/detail/subtract_with_carry_engine.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/detail/linear_congruential_engine_discard.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/detail/xor_combine_engine_max.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/detail/linear_feedback_shift_engine.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/detail/random_core_access.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/detail/normal_distribution.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/detail/discard_block_engine.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/detail/linear_feedback_shift_engine_wordmask.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/detail/linear_congruential_engine.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/detail/mod.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/detail/uniform_real_distribution.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/discard_block_engine.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/linear_feedback_shift_engine.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/subtract_with_carry_engine.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random/linear_congruential_engine.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/advance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/uninitialized_fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/uninitialized_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/tuple.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/disjoint_pool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/disjoint_sync_pool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/universal_memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/host_memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/polymorphic_adaptor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/pool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/tls_pool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/fancy_pointer_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/disjoint_tls_pool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/new.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/device_memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/sync_pool.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/validator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/mr/pool_options.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/universal_ptr.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/device_ptr.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/logical.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/constant_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/transform_input_output_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/transform_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/discard_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/counting_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/permutation_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/iterator_facade.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/retag.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/iterator_facade_category.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/transform_input_output_iterator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/iterator_traits.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/any_assign.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/minimum_category.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/universal_categories.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/transform_output_iterator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/constant_iterator_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/tuple_of_iterator_references.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/device_system_tag.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/is_iterator_category.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/host_system_tag.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/tagged_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/distance_from_result.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/iterator_traversal_tags.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/reverse_iterator_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/retag.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/zip_iterator_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/minimum_system.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/zip_iterator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/iterator_category_to_traversal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/reverse_iterator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/discard_iterator_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/iterator_category_with_system_and_traversal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/counting_iterator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/join_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/iterator_category_to_system.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/transform_iterator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/iterator_adaptor_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/permutation_iterator_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/normal_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/detail/any_system_tag.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/iterator_adaptor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/zip_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/reverse_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/iterator_categories.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/transform_output_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/iterator/iterator_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/zip_function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/event.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/system_error.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/functional.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/device_free.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/select_system.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/inner_product.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/vector_base.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/algorithm_wrapper.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/internal_functional.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/numeric_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/binary_search.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/alignment.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/generate.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/memory_algorithms.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/unique.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/transform_reduce.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator_aware_execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/memory_wrapper.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/cpp11_required.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/copy_construct_range.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/malloc_allocator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/copy_construct_range.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/tagged_allocator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/default_construct_range.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/fill_construct_range.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/temporary_allocator.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/destroy_range.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/allocator_traits.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/fill_construct_range.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/malloc_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/destroy_range.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/tagged_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/default_construct_range.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/temporary_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/allocator_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/allocator/no_throw_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/temporary_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/numeric_wrapper.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/type_deduction.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/type_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/contiguous_storage.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/copy_if.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/reduce.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/use_default.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/modern_gcc_required.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/pointer.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/integer_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/gather.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/uninitialized_fill.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/get_iterator_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/remove.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/tuple_algorithms.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/reverse.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/merge.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/dependencies_aware_execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/equal.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/vector_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/overlapped_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/sort.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/cstdint.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/execute_with_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/execute_with_allocator_fwd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/config/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/config/compiler_fence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/config/cpp_compatibility.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/config/compiler.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/config/cpp_dialect.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/config/simple_defines.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/config/global_workarounds.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/config/config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/config/memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/config/host_system.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/config/deprecated.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/config/namespace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/config/device_system.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/config/debug.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/scan.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/count.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/mpl/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/mpl/math.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/replace.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/malloc_and_free_fwd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/device_malloc.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/execute_with_dependencies.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/trivial_sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/temporary_array.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/raw_pointer_cast.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/reference_forward_declaration.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/partition.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/tuple_transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/advance.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/integer_math.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/raw_reference_cast.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/type_traits/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/type_traits/iterator/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/type_traits/iterator/is_output_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/type_traits/iterator/is_discard_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/type_traits/function_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/type_traits/minimum_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/type_traits/pointer_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/type_traits/result_of_adaptable_function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/type_traits/is_metafunction_defined.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/type_traits/is_call_possible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/type_traits/has_nested_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/type_traits/has_member_function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/distance.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/range/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/range/tail_flags.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/range/head_flags.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/cpp14_required.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/seq.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/caching_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional/placeholder.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional/value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional/composite.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional/argument.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional/operators.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional/actor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional/operators/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional/operators/assignment_operator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional/operators/arithmetic_operators.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional/operators/relational_operators.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional/operators/bitwise_operators.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional/operators/compound_assignment_operators.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional/operators/logical_operators.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional/operators/operator_adaptors.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/functional/actor.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/logical.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/device_delete.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/minmax.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/shuffle.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/contiguous_storage.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/for_each.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/copy.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/find.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/uninitialized_copy.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/event_error.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/static_map.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/static_assert.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/adjacent_difference.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/mismatch.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/transform.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/swap_ranges.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/device_new.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/swap.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/device_ptr.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/malloc_and_free.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/extrema.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/tuple_meta_transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/device_free.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/util/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/util/align.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/catrig.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/cproj.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/clog.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/ccoshf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/csqrt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/csinhf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/csinh.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/ctanhf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/arithmetic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/clogf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/complex.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/cexpf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/ccosh.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/stream.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/ctanh.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/cpow.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/c99math.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/csqrtf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/math_private.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/cexp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/complex/catrigf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/tabulate.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/set_operations.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/fill.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/transform_scan.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/scatter.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/sequence.inl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/detail/preprocessor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/device_delete.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/universal_vector.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/shuffle.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/device_reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/limits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/complex.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/per_device_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/type_traits/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/type_traits/is_trivially_relocatable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/type_traits/is_operator_plus_function_object.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/type_traits/is_contiguous_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/type_traits/is_operator_less_or_greater_function_object.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/type_traits/is_execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/type_traits/void_t.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/type_traits/integer_sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/type_traits/remove_cvref.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/type_traits/logical_metafunctions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/device_make_unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/distance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/pair.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/tabulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/device_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/gather.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/future.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/device_malloc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/execution_policy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/device_new_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/transform_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/device_new.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/random.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/allocate_unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/async/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/async/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/async/sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/async/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/async/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/async/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/async/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/set_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/device_vector.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/addressof.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/thrust/extrema.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/npps_conversion_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_fp16.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/host_defines.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuComplex.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_device_runtime_api.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cudaGLTypedefs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/version.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/util_deprecated.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/util_ptx.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/util_namespace.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/util_vsmem.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/util_cpp_dialect.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/iterator/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/iterator/cache_modified_input_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/iterator/tex_ref_input_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/iterator/arg_index_input_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/iterator/cache_modified_output_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/iterator/discard_output_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/iterator/transform_input_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/iterator/constant_input_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/iterator/tex_obj_input_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/iterator/counting_input_iterator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/util_temporary_storage.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/util_debug.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/detail/nvtx3.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/detail/temporary_storage.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/detail/device_double_buffer.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/detail/device_synchronize.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/detail/type_traits.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/detail/strong_load.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/detail/choose_offset.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/detail/nvtx.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/detail/uninitialized_copy.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/detail/detect_cuda_runtime.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/detail/strong_store.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/util_macro.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/block_run_length_decode.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/block_scan.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/block_load.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/block_discontinuity.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/block_raking_layout.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/radix_rank_sort_operations.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/block_shuffle.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/block_store.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/block_radix_rank.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/block_histogram.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/block_radix_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/block_adjacent_difference.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/block_merge_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/specializations/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/specializations/block_scan_raking.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/specializations/block_scan_warp_scans.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/specializations/block_reduce_raking_commutative_only.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/specializations/block_histogram_atomic.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/specializations/block_reduce_raking.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/specializations/block_histogram_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/specializations/block_reduce_warp_reductions.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/block_reduce.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/block/block_exchange.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/util_arch.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/thread/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/thread/thread_operators.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/thread/thread_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/thread/thread_load.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/thread/thread_search.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/thread/thread_store.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/thread/thread_scan.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/thread/thread_reduce.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/warp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/warp/warp_reduce.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/warp/warp_store.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/warp/warp_merge_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/warp/warp_scan.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/warp/warp_load.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/warp/warp_exchange.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/warp/specializations/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/warp/specializations/warp_reduce_shfl.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/warp/specializations/warp_exchange_smem.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/warp/specializations/warp_scan_smem.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/warp/specializations/warp_reduce_smem.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/warp/specializations/warp_scan_shfl.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/warp/specializations/warp_exchange_shfl.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/grid/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/grid/grid_queue.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/grid/grid_barrier.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/grid/grid_even_share.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/grid/grid_mapping.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/util_compiler.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/util_type.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/util_math.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/cub.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/util_allocator.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_segmented_radix_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_unique_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_adjacent_difference.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_reduce.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_radix_sort_upsweep.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_radix_sort_downsweep.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_select_if.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_reduce_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_radix_sort_histogram.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_histogram.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/single_pass_scan_operators.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_radix_sort_onesweep.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_scan_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_for.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_segment_fixup.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_rle.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_merge_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_scan.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_spmv_orig.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_sub_warp_merge_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_batch_memcpy.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/agent/agent_three_way_partition.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/device_copy.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/device_segmented_reduce.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/device_radix_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/device_reduce.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/dispatch_reduce_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/tuning/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/tuning/tuning_scan_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/tuning/tuning_run_length_encode.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/tuning/tuning_reduce_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/tuning/tuning_for.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/tuning/tuning_unique_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/tuning/tuning_scan.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/tuning/tuning_select_if.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/tuning/tuning_three_way_partition.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/tuning/tuning_histogram.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/dispatch_spmv_orig.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/dispatch_reduce.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/dispatch_three_way_partition.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/dispatch_adjacent_difference.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/dispatch_histogram.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/dispatch_rle.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/dispatch_unique_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/dispatch_select_if.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/dispatch_for.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/dispatch_scan_by_key.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/dispatch_radix_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/dispatch_segmented_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/dispatch_batch_memcpy.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/dispatch_scan.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/dispatch/dispatch_merge_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/device_select.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/device_scan.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/device_for.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/device_segmented_radix_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/device_partition.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/device_adjacent_difference.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/device_memcpy.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/device_spmv.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/device_histogram.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/device_run_length_encode.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/device_merge_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/device/device_segmented_sort.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/host/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/host/mutex.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/util_device.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cub/config.cuh\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/library_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_texture_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/sm_60_atomic_functions.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/npp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/sm_32_atomic_functions.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cudaGL.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_vdpau_interop.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/sm_60_atomic_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_runtime_api.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/math_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/driver_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/npps_arithmetic_and_logical_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nppdefs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_runtime.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvToolsExtCuda.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_fp8.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_awbarrier_primitives.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/vector_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvfunctional\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvjpeg.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvrtc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/device_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/common_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/device_double_functions.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/sm_90_rt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/cudacc_ext.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/host_defines.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/sm_70_rt.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/host_runtime.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/func_macro.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/sm_90_rt.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/sm_80_rt.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/math_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/nvfunctional\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/sm_80_rt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/sm_70_rt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/device_functions.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/host_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/math_functions.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/mma.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/mma.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/device_double_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/crt/storage_class.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/sm_32_intrinsics.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_awbarrier.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvToolsExtCudaRt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/vector_functions.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/sm_35_atomic_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/fatbinary_section.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/npps_support_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/concepts\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cuda/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cuda/api_wrapper.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cuda/cstdint_prelude.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cuda/chrono.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cuda/climits_prelude.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cuda/latch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cuda/cmath_nvfp16.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cuda/cstddef_prelude.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cuda/semaphore.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cuda/atomic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cuda/cmath_nvbf16.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cuda/barrier.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/variant\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/cmath\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/initializer_list\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cccl/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cccl/compiler.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cccl/system_header.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cccl/attributes.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cccl/extended_floating_point.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cccl/visibility.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cccl/dialect.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cccl/diagnostic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cccl/execution_space.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cccl/sequence_access.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cccl/version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__cccl/ptx_isa.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/ccomplex\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__variant/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__variant/monostate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/tuple\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/cfloat\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/climits\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/chrono\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/array\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__fwd/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__fwd/hash.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__fwd/array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__fwd/tuple.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__fwd/get.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__fwd/string_view.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__fwd/subrange.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__fwd/memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__fwd/pair.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__fwd/string.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__fwd/span.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/underlying_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_callable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_literal_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_integral.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_scalar.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_char_like_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/remove_const_ref.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/make_const_lvalue_ref.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_copy_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_arithmetic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_unbounded_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_core_convertible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_copy_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/nat.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_unsigned.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_const.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_abstract.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/disjunction.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/integral_constant.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_nothrow_move_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_signed.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/remove_const.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_fundamental.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_trivially_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/promote.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/conditional.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_bounded_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_final.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_polymorphic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/make_32_64_or_128_bit.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_volatile.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/decay.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_nothrow_destructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/make_signed.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_scoped_enum.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/enable_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/type_identity.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_move_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/can_extract_key.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/add_lvalue_reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/remove_pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_member_pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_pod.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_member_object_pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_reference_wrapper.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/lazy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_trivial.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_standard_layout.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/dependent_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_nothrow_convertible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/result_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_trivially_copy_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_aggregate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/negation.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_destructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/void_t.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_default_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_implicitly_default_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_empty.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_valid_expansion.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/apply_cv.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/aligned_storage.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_null_pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_nothrow_copy_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_trivially_move_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_nothrow_default_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/copy_cvref.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_trivially_copyable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/maybe_const.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_trivially_copy_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/add_cv.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/rank.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_same.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_nothrow_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/alignment_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_trivially_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_primary_template.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/remove_extent.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_nothrow_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/remove_cvref.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_convertible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/remove_reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_void.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/extent.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/copy_cv.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_constant_evaluated.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_referenceable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_member_function_pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_trivially_destructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_trivially_move_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_move_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/make_unsigned.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_base_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/has_unique_object_representation.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/has_virtual_destructor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_object.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/conjunction.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_nothrow_move_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/add_rvalue_reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_signed_integer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_union.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_floating_point.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/remove_volatile.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/common_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_enum.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_unsigned_integer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/type_list.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_swappable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/add_const.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/add_pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_trivially_default_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_compound.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/remove_cv.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/add_volatile.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_nothrow_copy_assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/aligned_union.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/common_reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_class.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/remove_all_extents.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__type_traits/is_pointer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__complex/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__complex/nvbf16.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__complex/nvfp16.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__complex/vector_support.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__new_\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__tuple_dir/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__tuple_dir/sfinae_helpers.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__tuple_dir/vector_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__tuple_dir/tuple_size.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__tuple_dir/structured_bindings.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__tuple_dir/tuple_like_ext.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__tuple_dir/apply_cv.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__tuple_dir/tuple_like.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__tuple_dir/tuple_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__tuple_dir/make_tuple_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__tuple_dir/tuple_indices.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__tuple_dir/tuple_element.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/static_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/layout_left.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/layout_right.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/no_unique_address.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/standard_layout_static_array.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/mdspan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/macros.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/extents.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/submdspan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/layout_stride.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/default_accessor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/maybe_static_value.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/type_list.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/compressed_pair.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/dynamic_extent.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__mdspan/full_extent_t.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__ranges/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__ranges/views.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__ranges/view_interface.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__ranges/dangling.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__ranges/concepts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__ranges/enable_view.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__ranges/access.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__ranges/subrange.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__ranges/rbegin.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__ranges/data.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__ranges/empty.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__ranges/size.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__ranges/rend.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__ranges/enable_borrowed_range.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__new/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__new/allocate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__new/launder.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__new/bad_alloc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/iterator\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/cassert\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/limits\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/reference_wrapper.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/perfect_forward.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/weak_result_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/hash.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/is_transparent.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/binder2nd.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/pointer_to_binary_function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/bind_front.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/compose.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/unary_negate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/binder1st.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/mem_fn.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/invoke.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/not_fn.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/ranges_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/binary_function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/unwrap_ref.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/unary_function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/bind_back.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/binary_negate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/identity.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/bind.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/default_searcher.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/mem_fun_ref.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__functional/pointer_to_unary_function.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/span\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/atomic\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/ctime\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm_\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/concepts\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/variant\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/cmath\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/algorithm\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/__verbose_abort\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/initializer_list\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/ccomplex\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/__functional_base\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/tuple\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/cfloat\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/climits\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/chrono\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/array\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/__debug\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/memory\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/cstring\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/__threading_support\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/iterator\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/cassert\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/limits\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/span\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/ctime\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/new\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/iosfwd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/stdexcept\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/cstdlib\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/__assert\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/ratio\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/__availability\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/optional\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/barrier\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/mdspan\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/semaphore\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/type_traits\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/support/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/support/win32/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/support/win32/limits_msvc_win32.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/support/ibm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/support/ibm/limits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/__config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/utility\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/functional\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/cstddef\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/string.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/latch\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/expected\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/bit\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/bitset\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/ranges\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/cstdint\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/version\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/complex\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/math.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/libcxx/include/__bit_reference\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/__annotated_ptr\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/__access_property\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/detail/__config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/equal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/set_intersection.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/replace_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/pop_heap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/find_end.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/replace_copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/rotate_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/partial_sort_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/count_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/find_first_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/partition_point.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/merge.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/is_heap_until.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/remove_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/fill.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/copy_backward.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/copy_n.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/mismatch.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/unique.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/prev_permutation.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/next_permutation.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/includes.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/none_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/remove_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/generate_n.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/remove_copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/sort_heap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/max_element.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/partition.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/find_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/binary_search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/max.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/set_symmetric_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/is_permutation.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/clamp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/set_union.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/lower_bound.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/copy_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/unwrap_iter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/for_each.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/find_if_not.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/remove.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/is_sorted.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/iter_swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/any_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/unique_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/set_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/is_heap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/unwrap_range.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/make_heap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/fill_n.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/move.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/count.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/replace_if.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/move_backward.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/shift_left.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/is_partitioned.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/reverse_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/minmax_element.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/comp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/equal_range.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/partition_copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/adjacent_find.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/half_positive.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/shift_right.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/partial_sort.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/minmax.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/generate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/transform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/search.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/min.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/copy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/upper_bound.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/all_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/is_sorted_until.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/swap_ranges.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/rotate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/for_each_n.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/search_n.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/make_projected.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/ranges_iterator_concept.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/sift_down.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/lexicographical_compare.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/min_element.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/reverse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/iterator_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/push_heap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__algorithm/comp_ref_type.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/cstdlib\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/ratio\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/optional\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/barrier\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/mdspan\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/semaphore\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/type_traits\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/numeric\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory_\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__numeric/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__numeric/inner_product.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__numeric/transform_exclusive_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__numeric/gcd_lcm.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__numeric/accumulate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__numeric/inclusive_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__numeric/exclusive_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__numeric/iota.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__numeric/adjacent_difference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__numeric/partial_sum.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__numeric/transform_inclusive_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__numeric/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__numeric/transform_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__numeric/midpoint.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/utility\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/same_as.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/swappable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/relation.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/boolean_testable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/destructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/regular.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/arithmetic.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/different_from.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/common_reference_with.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/invocable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/convertible_to.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/class_or_enum.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/_One_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/derived_from.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/predicate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/constructible.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/assignable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/copyable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/equality_comparable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/totally_ordered.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/movable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/all_of.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/semiregular.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/__concept_macros.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__concepts/common_with.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/functional\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/cstddef\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/allocator_destructor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/voidify.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/align.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/allocate_at_least.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/uses_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/temporary_buffer.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/allocator_arg_t.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/unique_ptr.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/builtin_new_allocator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/destruct_n.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/uninitialized_algorithms.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/pointer_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/allocator_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/construct_at.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/compressed_pair.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/addressof.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__memory/allocation_guard.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/latch\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/expected\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/bit\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/back_insert_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/erase_if_container.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/move_sentinel.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/advance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/concepts.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/move_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/default_sentinel.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/prev.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/readable_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/access.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/sortable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/insert_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/ostream_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/reverse_access.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/iter_swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/wrap_iter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/distance.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/ostreambuf_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/unreachable_sentinel.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/data.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/reverse_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/permutable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/mergeable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/bounded_iter.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/empty.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/projected.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/size.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/istreambuf_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/iterator_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/next.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/front_insert_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/iter_move.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/incrementable_traits.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/indirectly_comparable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__iterator/istream_iterator.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/order.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/wait/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/wait/notify_wait.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/wait/polling.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/scopes.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/api/reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/api/owned.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/api/common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/types/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/types/reference.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/types/locked.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/types/base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/types/small.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/types/common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/platform/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/platform/msvc_to_builtins.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/functions/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/functions/cuda_ptx_generated.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/functions/cuda_ptx_derived.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/functions/host.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/platform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__atomic/functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/ranges\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/cstdint\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/version\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/complex\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__exception/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__exception/terminate.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__exception/cuda_error.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__expected/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__expected/unexpect.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__expected/expected_base.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__expected/bad_expected_access.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__expected/expected.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__expected/unexpected.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/convert_to_integral.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/declval.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/unreachable.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/auto_cast.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/priority_tag.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/to_underlying.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/as_const.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/integer_sequence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/piecewise_construct.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/exception_guard.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/cmp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/swap.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/move.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/rel_ops.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/pair.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/forward_like.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/in_place.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/forward.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/std/__utility/exchange.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/ptx_dot_variants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/cp_async_bulk_commit_group.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/cp_async_bulk_tensor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/cp_reduce_async_bulk.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/tensormap_replace.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/cp_reduce_async_bulk_tensor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/mbarrier_arrive.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/barrier_cluster.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/getctarank.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/tensormap_cp_fenceproxy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/st_async.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/get_sreg.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/fence.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/cp_async_bulk.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/cp_async_bulk_wait_group.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/red_async.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/mbarrier_init.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/instructions/mbarrier_wait.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__ptx/ptx_helper_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/discard_memory\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__cccl_config\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/ptx\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/stream_ref\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/atomic\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/barrier\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/annotated_ptr\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/semaphore\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/functional\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__memory_resource/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__memory_resource/get_property.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__memory_resource/cuda_memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__memory_resource/resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__memory_resource/cuda_pinned_memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__memory_resource/cuda_managed_memory_resource.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__memory_resource/properties.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/__memory_resource/resource_ref.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/latch\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/memory_resource\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/version\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda/pipeline\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nppi_threshold_and_compare_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nppi_morphological_operations.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nv/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nv/detail/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nv/detail/__target_macros\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nv/detail/__preprocessor\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nv/target\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/channel_descriptor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/sm_32_intrinsics.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/sm_61_intrinsics.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/sm_35_intrinsics.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/math_constants.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvToolsExt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_pipeline.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cudaProfilerTypedefs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_egl_interop.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_gl_interop.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/details/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/details/coalesced_scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/details/memory.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/details/partitioning.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/details/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/details/helpers.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/details/functional.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/details/coalesced_reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/details/invoke.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/details/async.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/details/driver_abi.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/details/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/details/sync.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/details/info.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/memcpy_async.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/scan.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups/reduce.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/texture_fetch_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/host_config.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_pipeline_helpers.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/CL/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/CL/cl_gl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/CL/cl_ext.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/CL/opencl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/CL/cl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/CL/cl_version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/CL/cl.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/CL/cl_gl_ext.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/CL/cl_egl.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/CL/cl_platform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cudaVDPAU.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/sm_20_intrinsics.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/npps.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/mma.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/device_atomic_functions.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/sm_20_atomic_functions.hpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nppi_filtering_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nppi_geometry_transforms.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cudaVDPAUTypedefs.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/sm_61_intrinsics.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvToolsExtSync.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/texture_indirect_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cudart_platform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/texture_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/surface_indirect_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/surface_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_occupancy.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cuda_bf16.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/device_double_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nppi_statistics_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/npps_initialization.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nvJitLink.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/surface_types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/cooperative_groups.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/targets/x86_64-linux/include/nppi_support_functions.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvvm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvvm/libdevice/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvvm/libdevice/libdevice.10.bc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvvm/bin/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvvm/bin/cicc\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvvm/lib64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvvm/lib64/libnvvm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvvm/lib64/libnvvm.so.4.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvvm/lib64/libnvvm.so.4\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvvm/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvvm/include/nvvm.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/include\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compat/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compat/libcudadebugger.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compat/libnvidia-ptxjitcompiler.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compat/libnvidia-ptxjitcompiler.so.560.28.03\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compat/libnvidia-nvvm.so.4\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compat/libnvidia-pkcs11.so.560.28.03\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compat/libcuda.so.560.28.03\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compat/libcuda.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compat/libcuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compat/libnvidia-nvvm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compat/libnvidia-nvvm.so.560.28.03\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/compat/libcudadebugger.so.560.28.03\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/__init__.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/function/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/function/__init__.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/function/caller_is.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/function/as_string.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/function/strfns.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/FrameDecorator.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/command/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/command/__init__.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/command/unwinders.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/command/frame_filters.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/command/prompt.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/command/pretty_printers.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/command/xmethods.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/command/explore.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/command/type_printers.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/prompt.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/disassembler.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/frames.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/types.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/FrameIterator.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/unwinder.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/printer/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/printer/__init__.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/printer/bound_registers.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/xmethod.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/styling.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/python/gdb/printing.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/arm-linux.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/ppc-linux.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/s390-linux.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/ppc64-linux.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/s390x-linux.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/i386-linux.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/mips-o32-linux.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/freebsd.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/aarch64-linux.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/mips-n64-linux.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/amd64-linux.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/netbsd.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/mips-n32-linux.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/sparc-linux.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/gdb-syscalls.dtd\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/syscalls/sparc64-linux.xml\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/system-gdbinit/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/system-gdbinit/elinos.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/share/gdb/system-gdbinit/wrs-linux.py\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/DOCS\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/Debugger/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/Debugger/Readme.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/Debugger/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/Debugger/include/cuda_stdint.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/Debugger/include/cudadebugger.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/Debugger/include/cudacoredump.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/search.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/namespaceNV_1_1Cupti.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PmSampling__GetCounterDataInfo__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityEventInstance.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivitySharedAccess.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityInstructionExecution.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__BeginSession__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__CounterDataImage__InitializeScratchBuffer__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__Host__GetSubMetrics__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityNvLink4.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/group__CUPTI__RESULT__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__CounterDataImageOptions.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PCSamplingStallReason.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__PopRange__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/namespaceCUPTI_1_1PcSamplingUtil.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityOverhead.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityKernel5.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__DeInitialize__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__Host__GetRangeName__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__SassMetrics__GetNumOfMetrics__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structNV_1_1Cupti_1_1Checkpoint_1_1CUpti__Checkpoint.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemory4.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__RangeProfiler__GetCounterDataSize__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/modules.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/group__CUPTI__CHECKPOINT__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__SassMetrics__GetMetrics__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ModuleResourceData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__StateData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__EventGroupSet.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PmSampling__Start__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityKernel6.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__SassMetricsGetDataProperties__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemcpyPtoP3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__CounterDataImage__CalculateSize__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMetricInstance.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUPTI_1_1PcSamplingUtil_1_1BufferInfo.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Activity.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemcpy3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PCSamplingGetNumStallReasonsParams.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__RangeProfiler__CounterDataImage__Initialize__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PCSamplingEnableParams.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityKernel.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityPCSampling.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityEnvironment.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__EndPass__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemcpyPtoP4.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityBranch.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityGlobalAccess.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUPTI_1_1PcSamplingUtil_1_1CUptiUtil__GetBufferInfoParams.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivitySourceLocator.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityExternalCorrelation.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__SetConfig__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUPTI_1_1PcSamplingUtil_1_1Header.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__EndSession__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUPTI_1_1PcSamplingUtil_1_1CUptiUtil__GetHeaderDataParams.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PmSampling__Disable__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PCSamplingGetDataParams.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemcpyPtoP2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/group__CUPTI__PCSAMPLING__UTILITY.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityOpenAccOther.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__SynchronizeData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityOverhead3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityAPI.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityUnifiedMemoryCounterConfig.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityContext3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemcpy4.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PmSampling__DecodeData__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityKernel9.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/group__CUPTI__METRIC__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityJit.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ResourceData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/namespaces.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__SassMetricsSetConfig__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__RangeProfiler__Enable__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__SassMetrics__GetProperties__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__RangeProfiler__DecodeData__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__Host__ConfigAddMetrics__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityPCSamplingRecordInfo.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PmSampling__CounterData__GetSampleInfo__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityPreemption.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__GraphData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityContext.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityInstantaneousEvent.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityPcie.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityGraphTrace.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityNvLink3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__Host__GetConfigImageSize__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__CounterDataImage__CalculateScratchBufferSize__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__RangeProfiler__Disable__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__DisableProfiling__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__SassMetrics__Data.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__RangeProfiler__Start__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PCSamplingGetStallReasonsParams.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityDevice.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/group__CUPTI__RANGE__PROFILER__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityGlobalAccess3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityOpenAccData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityNvLink.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityInstantaneousMetricInstance.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__SassMetrics__MetricDetails.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__RangeProfiler__PopRange__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemset.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityUnifiedMemoryCounter2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PCSamplingConfigurationInfo.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__Host__EvaluateToGpuValues__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemset4.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/group__CUPTI__VERSION__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityNvLink2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__BeginPass__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__SassMetricsFlushData__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__Host__Deinitialize__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityPCSamplingConfig.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/namespaceNV.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__Host__GetSupportedChips__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__GetSassToSourceCorrelationParams.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PmSampling__Stop__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PCSamplingStartParams.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUPTI_1_1PcSamplingUtil_1_1CUptiUtil__GetPcSampDataParams.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUPTI_1_1PcSamplingUtil_1_1CUptiUtil__MergePcSampDataParams.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemset2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__IsPassCollected__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMetric.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/namespaceCUPTI.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__Initialize__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityBranch2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PCSamplingDisableParams.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityKernel3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PmSampling__GetCounterDataSize__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityOpenAccLaunch.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityContext2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityInstructionCorrelation.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityGlobalAccess2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__GetCubinCrcParams.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__SassMetrics__Config.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__RangeProfiler__GetCounterDataInfo__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/unionCUpti__MetricValue.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityDevice3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/unionCUpti__ActivityObjectKindId.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/group__CUPTI__PROFILER__HOST__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityJit2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__UnsetConfig__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityPCSampling3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__DeviceSupported__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemset3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__NvtxData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/group__CUPTI__CALLBACK__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemcpy.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__SassMetricsUnsetConfig__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PmSampling__CounterDataImage__Initialize__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__Host__Initialize__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemcpyPtoP.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PCSamplingData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__EventGroupSets.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/group__CUPTI__SASS__METRICS__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PmSampling__SetConfig__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityPCSampling2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PmSampling__Enable__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PCSamplingConfigurationInfoParams.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__RangeProfiler__PushRange__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityDevice2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/namespaceNV_1_1Cupti_1_1Checkpoint.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__FlushCounterData__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__SassMetricsEnable__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMarkerData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__PushRange__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityFunction.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/data-structures.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityName.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__GetCounterAvailability__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityKernel2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__CallbackData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/group__CUPTI__EVENT__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemcpy5.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityDeviceAttribute.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityDevice4.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityInstantaneousEventInstance.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__EnableProfiling__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__Host__GetMaxNumHardwareMetricsPerPass__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityOpenAcc.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityOverheadCommandBufferFullData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityAutoBoostState.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__Host__GetConfigImage__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__SassMetricsDisable__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemory.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/group__CUPTI__PM__SAMPLING__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityGraphTrace2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityCdpKernel.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityKernel4.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__SassMetrics__InstanceValue.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__RangeProfiler__Stop__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PCSamplingPCData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemory3.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__RangeProfiler__CounterData__GetRangeInfo__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PmSampling__GetCounterAvailability__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityDevice5.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityOverhead2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/group__CUPTI__ACTIVITY__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemory2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__PCSamplingStopParams.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityInstantaneousMetric.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/group__CUPTI__PROFILER__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityCudaEvent.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityStream.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityEvent.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivitySynchronization.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUPTI_1_1PcSamplingUtil_1_1CUptiUtil__PutPcSampDataParams.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__RangeProfiler__SetConfig__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityUnifiedMemoryCounter.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityModule.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityOpenMp.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__Host__GetNumOfPasses__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__Host__GetBaseMetrics__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMarker2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemoryPool2.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMarker.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/group__CUPTI__PCSAMPLING__API.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityKernel8.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUPTI_1_1PcSamplingUtil_1_1PcSamplingStallReasons.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__CounterDataImage__Initialize__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__StreamAttrData.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityKernel7.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__Profiler__Host__GetMetricProperties__Params.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/api/structCUpti__ActivityMemoryPool.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_sphinx_design_static/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_sphinx_design_static/design-style.b7bb847fb20b106c3d81b95245e65545.min.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_sphinx_design_static/design-tabs.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/notices-header/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/notices-header/notices-header.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/objects.inv\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/VERSION\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/theme-setter.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/doctools.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/jquery-3.5.1.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/file.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/version.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/omni-style-dark.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/theme-switcher-general.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/Logo_and_CUDA.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/NVIDIA-LogoWhite.svg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/twemoji.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/design-style.b7bb847fb20b106c3d81b95245e65545.min.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/main_ov_logo_square.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/plus.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/language_data.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/underscore-1.13.1.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/social-media.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/documentation_options.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/twemoji.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/searchtools.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/design-tabs.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/js/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/js/html5shiv.min.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/js/badge_only.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/js/theme.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/js/html5shiv-printshiv.min.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/lunr.min.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/api-styles.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/api-styles-dark.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/mermaid-init.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/basic.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/pygments.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/favicon.ico\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/jquery.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/omni-style.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/NVIDIA-LogoBlack.svg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/badge_only.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/theme.css\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/lato-normal-italic.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/lato-normal.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/lato-normal.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/fontawesome-webfont.svg\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/Roboto-Slab-Bold.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/lato-bold.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/fontawesome-webfont.ttf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/Roboto-Slab-Bold.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/fontawesome-webfont.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/fontawesome-webfont.eot\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/lato-normal-italic.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/lato-bold-italic.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/Roboto-Slab-Regular.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/fontawesome-webfont.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/lato-bold-italic.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/lato-bold.woff\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/css/fonts/Roboto-Slab-Regular.woff2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/underscore.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/minus.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/main_ov_logo_rect.png\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/_static/lunr_search.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/main/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/main/main.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/special-configurations/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/special-configurations/special-configurations.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/copyright-and-licenses/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/copyright-and-licenses/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/searchindex.js\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/index.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/overview/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/overview/overview.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/genindex.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/project.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/library-support/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/library-support/library-support.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/release-notes/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/doc/html/release-notes/release-notes.html\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/lib64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/lib64/libcheckpoint.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/lib64/libcupti.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/lib64/libnvperf_target.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/lib64/libnvperf_host_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/lib64/libnvperf_host.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/lib64/libcupti.so.2024.3.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/lib64/libcupti.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/lib64/libcupti_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/lib64/libpcsamplingutil.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cuda_memory_trace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cuda_memory_trace/memory_trace.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cuda_memory_trace/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/nested_range_profiling/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/nested_range_profiling/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/nested_range_profiling/nested_range_profiling.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cuda_graphs_trace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cuda_graphs_trace/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cuda_graphs_trace/cuda_graphs_trace.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/unified_memory/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/unified_memory/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/unified_memory/unified_memory.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pc_sampling/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pc_sampling/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pc_sampling/pc_sampling.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/userrange_profiling/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/userrange_profiling/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/userrange_profiling/user_range_profiling.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_correlation/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_correlation/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_correlation/cupti_correlation.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/callback_metric/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/callback_metric/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/callback_metric/callback_metric.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pc_sampling_utility/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pc_sampling_utility/README.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pc_sampling_utility/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pc_sampling_utility/pc_sampling_utility.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pc_sampling_utility/pc_sampling_utility_helper.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/autorange_profiling/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/autorange_profiling/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/autorange_profiling/auto_range_profiling.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pc_sampling_start_stop/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pc_sampling_start_stop/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pc_sampling_start_stop/pc_sampling_start_stop.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_finalize/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_finalize/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_finalize/cupti_finalize.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/profiling_injection/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/profiling_injection/README.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/profiling_injection/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/profiling_injection/simple_target.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/profiling_injection/injection.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/profiling_injection/complex_target.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_nvtx/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_nvtx/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_nvtx/cupti_nvtx.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/nvlink_bandwidth/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/nvlink_bandwidth/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/nvlink_bandwidth/nvlink_bandwidth.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_query/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_query/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_query/cupti_query.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/src/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/src/profilerhost_util/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/src/profilerhost_util/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/src/profilerhost_util/Eval.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/src/profilerhost_util/Metric.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/src/profilerhost_util/List.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/include/profilerhost_util/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/include/profilerhost_util/List.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/include/profilerhost_util/Metric.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/include/profilerhost_util/Eval.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/include/profilerhost_util/Parser.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/include/profilerhost_util/Utils.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/include/c_util/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/include/c_util/ScopeExit.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/extensions/include/c_util/FileOp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/openacc_trace/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/openacc_trace/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/openacc_trace/openacc_trace.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/openacc_trace/openacc_app.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/event_multi_gpu/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/event_multi_gpu/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/event_multi_gpu/event_multi_gpu.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/sass_source_map/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/sass_source_map/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/sass_source_map/sass_source_map.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/checkpoint_kernels/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/checkpoint_kernels/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/checkpoint_kernels/checkpoint_kernels.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/activity_trace_async/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/activity_trace_async/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/activity_trace_async/activity_trace_async.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/common/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/common/helper_cupti.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/common/helper_cupti_activity.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/concurrent_profiling/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/concurrent_profiling/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/concurrent_profiling/concurrent_profiling.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/callback_event/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/callback_event/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/callback_event/callback_event.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/callback_timestamp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/callback_timestamp/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/callback_timestamp/callback_timestamp.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_external_correlation/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_external_correlation/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_external_correlation/cupti_external_correlation.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_trace_injection/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_trace_injection/README.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_trace_injection/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_trace_injection/cupti_trace_injection.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/sass_metrics/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/sass_metrics/sass_metrics.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/sass_metrics/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pm_sampling/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pm_sampling/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pm_sampling/pm_sampling.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pm_sampling/pm_sampling.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pc_sampling_continuous/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pc_sampling_continuous/README.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pc_sampling_continuous/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pc_sampling_continuous/pc_sampling_continuous.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/pc_sampling_continuous/libpc_sampling_continuous.pl\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/range_profiling/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/range_profiling/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/range_profiling/range_profiling.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/range_profiling/range_profiling.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/event_sampling/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/event_sampling/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/event_sampling/event_sampling.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_metric_properties/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_metric_properties/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/cupti_metric_properties/cupti_metric_properties.cpp\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/callback_profiling/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/callback_profiling/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/samples/callback_profiling/callback_profiling.cu\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_driver_cbid.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cuda_stdint.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/generated_cudart_removed_meta.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_nvtx_cbid.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/nvperf_target.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/generated_nvtx_meta.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_profiler_host.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_result.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_sass_metrics.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/generated_cuda_meta.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/nvperf_host.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/generated_cuda_gl_interop_meta.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_target.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_runtime_cbid.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_events.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_pcsampling.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_range_profiler.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/generated_cudaVDPAU_meta.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/nvperf_cuda_host.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_pmsampling.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/Openmp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/Openmp/cupti_openmp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/Openmp/omp-tools.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_profiler_target.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_callbacks.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_pcsampling_util.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/generated_cudaGL_meta.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/generated_cuda_runtime_api_meta.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/nvperf_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_activity_deprecated.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_metrics.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_activity.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/Openacc/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/Openacc/cupti_openacc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_version.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/cupti_checkpoint.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/extras/CUPTI/include/generated_cuda_vdpau_interop_meta.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvml/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvml/example/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvml/example/README.txt\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvml/example/Makefile\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvml/example/example.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/nvml/example/supportedVgpus.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/README\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/cuda/12.6/version.json\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvcpumath-avx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvhpcman.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudaforwrapsparse11.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libaccstub.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libaccnotify.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudafor_118.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvhpcmanaux.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libblas_lp64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudafor_120.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libblas_ilp64.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudaforwrapblas.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/liblapack_ilp64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libomp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudanvhpc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libblas.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudadevice.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvomp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/liblapack_ilp64.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudaforwraptensor_113.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvmalloc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvcpumath-avx2.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvlamath.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libblas_ilp64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libacchost.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvcpumath.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libblas.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudafor2.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/liblapack.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libpgc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvhpcwrapcublasmp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libaccdevaux110.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvhpcwrapnvtx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvhpcwrapcal.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libaccdevaux.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvhpcwrapcufft.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudafor_113.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudaforwrapnccl.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libhugetlbfs_nvhpc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/liblapack_lp64.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudaforwraptensor_118.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvhpcwrapcusolvermp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libaccdevice.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libgomp.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvhpcwrapshmem.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libaccdevaux113.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/liblapack.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvhpcwrapcufftmp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudaforwrapblas117.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvcpumath-avx512.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvomp_ompt.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/liblapack_lp64.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libpgmath.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudafor_110.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libgomp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libpgm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvf.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvompstub.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libblas_lp64.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudaforwraprand.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudafor.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libnvhpcatm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudaforwrapsparse12.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libcudaforwraptensor.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/lib/libaccprof.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/extras/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/extras/qd/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/extras/qd/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/extras/qd/lib/libqd_f_main.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/extras/qd/lib/libqd_f_main.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/extras/qd/lib/libqdmod.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/extras/qd/lib/libqd_f_main.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/extras/qd/lib/libqd.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/extras/qd/lib/libqd.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/extras/qd/lib/libqdmod.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/extras/qd/lib/libqd.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/compilers/extras/qd/lib/libqdmod.so.0.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_transport_libfabric.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/libnvshmem_host.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_transport_libfabric.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmix.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibgda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibrc.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmi2.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_uid.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_mpi.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmi2.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibdevx.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmi.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibrc.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmix.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmi2.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/libnvshmem_host.so.3.0.7\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_transport_libfabric.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ucx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmi.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_mpi.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_mpi.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmi.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_uid.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibgda.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibgda.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_shmem.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ucx.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/libnvshmem_host.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ucx.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibdevx.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_uid.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibrc.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_transport_ibdevx.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_shmem.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_pmix.so.3.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nvshmem/lib/nvshmem_bootstrap_shmem.so.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nccl/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nccl/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nccl/lib/libnccl.so.2.18.5\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nccl/lib/libnccl.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/comm_libs/12.6/nccl/lib/libnccl.so.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/lib64\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/targets/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/targets/x86_64-linux/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/targets/x86_64-linux/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/targets/x86_64-linux/lib/libcudart.so.12.6.77\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/targets/x86_64-linux/lib/libcudart.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/targets/x86_64-linux/lib/stubs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/targets/x86_64-linux/lib/stubs/libcuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/targets/x86_64-linux/lib/stubs/libnvJitLink.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/targets/x86_64-linux/lib/libnvJitLink.so.12.6.77\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/targets/x86_64-linux/lib/libnvToolsExt.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/targets/x86_64-linux/lib/libcudart.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/targets/x86_64-linux/lib/libnvToolsExt.so.1.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/targets/x86_64-linux/lib/libnvJitLink.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/targets/x86_64-linux/lib/libnvJitLink.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/targets/x86_64-linux/lib/libnvToolsExt.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/nvvm/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/nvvm/lib64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/nvvm/lib64/libnvvm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/nvvm/lib64/libnvvm.so.4.0.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/nvvm/lib64/libnvvm.so.4\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/compat/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/compat/libcudadebugger.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/compat/libnvidia-ptxjitcompiler.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/compat/libnvidia-ptxjitcompiler.so.560.28.03\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/compat/libnvidia-nvvm.so.4\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/compat/libnvidia-pkcs11.so.560.28.03\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/compat/libcuda.so.560.28.03\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/compat/libcuda.so.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/compat/libcuda.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/compat/libnvidia-nvvm.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/compat/libnvidia-nvvm.so.560.28.03\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/compat/libcudadebugger.so.560.28.03\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/extras/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/extras/CUPTI/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/extras/CUPTI/lib64/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/extras/CUPTI/lib64/libcheckpoint.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/extras/CUPTI/lib64/libcupti.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/extras/CUPTI/lib64/libnvperf_target.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/extras/CUPTI/lib64/libnvperf_host.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/extras/CUPTI/lib64/libcupti.so.2024.3.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/extras/CUPTI/lib64/libcupti.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/cuda/12.6/extras/CUPTI/lib64/libpcsamplingutil.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/lib64\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcusolverMg.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcufftw.so.11\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcal.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcufftMp.so.11\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcublas.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcusparse.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcusparse.so.12.5.4.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcublas.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcurand.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcublasLt.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcufft.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcusolver.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcublasLt.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcufftMp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcusolverMg.so.11.7.1.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcusolverMp.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcurand.so.10\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcutensor.so.2.0.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcutensorMg.so.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libnvblas.so.12.6.3.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcutensor.so.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/stubs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/stubs/libcusolverMg.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/stubs/libcusparse.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/stubs/libcublas.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/stubs/libcurand.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/stubs/libcufft.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/stubs/libcusolver.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/stubs/libcublasLt.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/stubs/libcufftw.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcurand.so.10.3.7.77\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcufftw.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcusolverMp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcublasmp.so.0.2.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcusolverMp.so.0.5.1.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcusolver.so.11\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libnvblas.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcusolver.so.11.7.1.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcublasmp.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcutensorMg.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcufftw.so.11.3.0.4\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcal.so.0.4.3.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcufft.so.11\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcusolverMg.so.11\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcufft.so.11.3.0.4\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcutensorMg.so.2.0.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libnvblas.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcufftMp.so.11.2.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcublas.so.12.6.3.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcublasmp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcal.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcublasLt.so.12.6.3.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcutensor.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/lib/libcusparse.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/targets/x86_64-linux/share/ucc.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/REDIST/math_libs/12.6/share\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/src/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/src/cusparse_fortran.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/src/fortran_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/src/fortran_thunking.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/src/cusparse_fortran_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/src/cusparse_fortran.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/src/fortran.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/src/fortran_thunking.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/src/fortran.c\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/lib64\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcusolverMg.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcufftw.so.11\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcal.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcufftMp.so.11\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcufftw_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcublas.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcusparse.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcusparse.so.12.5.4.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcublas.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libmetis_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcurand.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcublasLt.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcufft.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcurand_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcusolver.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcublasLt.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcufftMp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcutensor_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcusolverMg.so.11.7.1.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcusolverMp.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcurand.so.10\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcutensor.so.2.0.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcutensorMg.so.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libnvblas.so.12.6.3.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcutensor.so.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/stubs/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/stubs/libcusolverMg.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/stubs/libcusparse.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/stubs/libcublas.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/stubs/libcurand.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/stubs/libcufft.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/stubs/libcusolver.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/stubs/libcublasLt.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/stubs/libcufftw.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcurand.so.10.3.7.77\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcufftw.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcufft_static_nocallback.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcusolverMp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcublasmp.so.0.2.1\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcusolverMp.so.0.5.1.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcublasLt_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcusolver.so.11\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libnvblas.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcusolver.so.11.7.1.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcublasmp.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcutensorMg.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcusolver_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcufftw.so.11.3.0.4\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcal.so.0.4.3.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcutensorMg_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcufft.so.11\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcusolverMg.so.11\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcufft.so.11.3.0.4\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcutensorMg.so.2.0.2\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libnvblas.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcufftMp.so.11.2.6\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcublas.so.12.6.3.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcublasmp.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcal.so.0\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcublasLt.so.12.6.3.3\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcutensor.so\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcusolver_lapack_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcublas_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcusolver_metis_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcufft_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcusparse_static.a\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/lib/libcusparse.so.12\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand_lognormal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cutensor.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand_discrete2.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cutensor/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cutensor/types.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cufftXt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/nvblas.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand_kernel.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand_mtgp32.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cublasLt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cusolverMp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand_mtgp32_host.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand_uniform.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand_normal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cublas_v2.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cufftmp/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cufftmp/cufftXt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cufftmp/cufft.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cufftmp/cudalibxt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cufftmp/cufftMp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cal.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cutensorMg.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cusolverDn.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cublas.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand_normal_static.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cufft.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand_precalc.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cufftw.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cusolverMg.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand_mrg32k3a.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand_mtgp32_kernel.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand_mtgp32dc_p_11213.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cusolverSp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cusolverRf.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cusparse.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand_poisson.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cublasmp.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cusolverSp_LOWLEVEL_PREVIEW.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand_globals.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand_philox4x32_x.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cudalibxt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cusparse_v2.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cusolver_common.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/curand_discrete.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cublas_api.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/include/cublasXt.h\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/share/\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/targets/x86_64-linux/share/ucc.conf\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/include\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11/math_libs/12.6/share\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/NVHPCConfigVersion.cmake\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/install\nnvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/install_cuda\n","output_type":"stream"}],"execution_count":5},{"cell_type":"markdown","source":"## 3. Setting environment for running ","metadata":{}},{"cell_type":"markdown","source":"This part is extremely crucial, **do not** skip. Without this step, the whole process is not applicable.","metadata":{}},{"cell_type":"code","source":"import os\n\nbase = \"/kaggle/working/nvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11\" # Change path to current path where the nvhpc folder is\n\nos.environ[\"PATH\"] = base + \"/compilers/bin:\" + os.environ[\"PATH\"]\nos.environ[\"LD_LIBRARY_PATH\"] = base + \"/compilers/lib:\" + os.environ.get(\"LD_LIBRARY_PATH\", \"\")\nprint(\"Environment set.\")\n!nvfortran --version\nprint(\" \")\nprint(\"Check for error\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-08T08:54:24.421304Z","iopub.execute_input":"2026-07-08T08:54:24.422078Z","iopub.status.idle":"2026-07-08T08:54:26.633393Z","shell.execute_reply.started":"2026-07-08T08:54:24.422039Z","shell.execute_reply":"2026-07-08T08:54:26.632675Z"}},"outputs":[{"name":"stdout","text":"Environment set.\n\nnvfortran 24.11-0 64-bit target on Linux -tp skylake-avx512 \nNVIDIA Compilers and Tools\nCopyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.\n\nnvfortran 24.11-0 64-bit target on x86-64 Linux -tp skylake-avx512 \nNVIDIA Compilers and Tools\nCopyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.\n \nCheck for error\n","output_type":"stream"}],"execution_count":6},{"cell_type":"markdown","source":"## 4. Set config ","metadata":{}},{"cell_type":"markdown","source":"Ensure to not tinker with the config unless **absolutely needed**. **Do not modify.**","metadata":{}},{"cell_type":"code","source":"%cd /kaggle/working/q-e-qe-7.5 \n# Change path as per need\n!export LIBXC_LIBS=\"-L/usr/lib/x86_64-linux-gnu -lxc -lxcf03\"\n!export LIBXC_CFLAGS=\"-I/usr/include\"\n!./configure \\\n FC=nvfortran \\\n F90=nvfortran \\\n F77=nvfortran \\\n MPIF90=nvfortran \\\n CC=nvc \\\n CXX=nvc++ \\\n LD=nvfortran \\\n --with-cuda=yes \\\n --with-cuda-runtime=12.6 \\\n --with-cuda-cc=75 \\\n --with-scalapack=no","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-08T08:54:33.189143Z","iopub.execute_input":"2026-07-08T08:54:33.189417Z","iopub.status.idle":"2026-07-08T08:54:42.236408Z","shell.execute_reply.started":"2026-07-08T08:54:33.189389Z","shell.execute_reply":"2026-07-08T08:54:42.235763Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"/kaggle/working/q-e-qe-7.5\ndirectory KCW/PP : okk ok okkokCI : ok\nall dependencies updated successfully\nRunning configure as ./install/configure FC=nvfortran F90=nvfortran F77=nvfortran MPIF90=nvfortran CC=nvc CXX=nvc++ LD=nvfortran --with-cuda=yes --with-cuda-runtime=12.6 --with-cuda-cc=75 --with-scalapack=no\nconfigure: WARNING: you should use --build, --host, --target\nchecking build system type... x86_64-pc-linux-gnu\nchecking ARCH... x86_64\nchecking setting AR... ... ar\nchecking setting ARFLAGS... ... ruv\nchecking whether the Fortran compiler works... yes\nchecking for Fortran compiler default output file name... a.out\nchecking for suffix of executables... \nchecking whether we are cross compiling... no\nchecking for suffix of object files... o\nchecking whether we are using the GNU Fortran compiler... no\nchecking whether nvfortran accepts -g... yes\nchecking for Fortran flag to compile .f90 files... none\nchecking for nvfortran... nvfortran\nchecking whether we are using the GNU Fortran compiler... no\nchecking whether nvfortran accepts -g... yes\nchecking version of nvfortran... nvfortran 24.11-0\nconfigure: WARNING: Check whether user-supplied F90 is consistent with MPIF90 !!! \nsetting F90... nvfortran\nsetting MPIF90... nvfortran\nchecking whether we are using the GNU C compiler... yes\nchecking whether nvc accepts -g... yes\nchecking for nvc option to accept ISO C89... none needed\nsetting CC... nvc\nsetting CFLAGS... -O3\nusing F90... nvfortran\nsetting FFLAGS... -fast\nsetting F90FLAGS... -fast -Mcache_align -Mpreprocess -Mlarge_arrays\nsetting FFLAGS_NOOPT... -O0\nsetting FFLAGS_NOMAIN... -Mnomain\nsetting CPP... cpp\nsetting CPPFLAGS... -P -traditional -Uvector\nsetting LD... nvfortran\nsetting LDFLAGS...\nchecking whether Fortran compiler accepts -cuda -gpu=cuda12.6... yes\nchecking whether make sets $(MAKE)... yes\nchecking whether Fortran files must be preprocessed... no\nchecking for library containing dgemm... -lmkl_intel_lp64\nsetting BLAS_LIBS... -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nchecking FFT... \nchecking MASS... \nchecking for library containing mpi_init... no\nchecking ELPA... \nchecking for Environ... not used\nchecking if legacy plugins are enabled ... no\nchecking for ranlib... ranlib\nchecking for wget... wget -O\nsetting WGET... wget -O\nchecking for git... git\nsetting DFLAGS... -D__PGI -D__CUDA -D__DFTI\nsetting IFLAGS... -I. -I$(TOPDIR)/include -I/opt/intel/mkl/include\nconfigure: creating ./config.status\nconfig.status: creating install/make_lapack.inc\nconfig.status: creating include/configure.h\nconfig.status: creating make.inc\nconfig.status: creating configure.msg\nconfig.status: creating install/make_wannier90.inc\n--------------------------------------------------------------------\nESPRESSO can take advantage of several optimized numerical libraries\n(essl, fftw, mkl...). This configure script attempts to find them,\nbut may fail if they have been installed in non-standard locations.\nIf a required library is not found, the local copy will be compiled.\n\nThe following libraries have been found:\n BLAS_LIBS= -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\n LAPACK_LIBS=\n FFT_LIBS=\n \n \n\nPlease check if this is what you expect.\n\nIf any libraries are missing, you may specify a list of directories\nto search and retry, as follows:\n ./configure LIBDIRS=\"list of directories, separated by spaces\"\n\nParallel environment not detected \\(is this a parallel machine?\\).\\\nConfigured for compilation of serial executables.\n\nFor more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).\n--------------------------------------------------------------------\nconfigure: success\n","output_type":"stream"}],"execution_count":7},{"cell_type":"markdown","source":"If final output shows configure: success, continue. Otherwise, search for documentation or use AI to help troubleshoot.","metadata":{}},{"cell_type":"code","source":"from pathlib import Path\nimport re\n\npath = Path(\"/kaggle/working/q-e-qe-7.5/make.inc\")\ntext = path.read_text()\n\nnew_lines = []\nfor line in text.splitlines():\n if line.strip().startswith(\"DFLAGS\"):\n line = re.sub(r\"-D__DFTI\\b\", \"\", line)\n line = re.sub(r\"-D__FFTW3\\b\", \"\", line)\n line = re.sub(r\"-D__FFTW\\b\", \"\", line)\n line = line.rstrip() + \" -D__FFTW\"\n new_lines.append(line)\n\npath.write_text(\"\\n\".join(new_lines) + \"\\n\")\n\nprint(\"Updated DFLAGS:\")\nfor line in new_lines:\n if line.strip().startswith(\"DFLAGS\"):\n print(line)","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-08T08:54:52.774405Z","iopub.execute_input":"2026-07-08T08:54:52.775201Z","iopub.status.idle":"2026-07-08T08:54:52.782534Z","shell.execute_reply.started":"2026-07-08T08:54:52.775166Z","shell.execute_reply":"2026-07-08T08:54:52.781979Z"}},"outputs":[{"name":"stdout","text":"Updated DFLAGS:\nDFLAGS = -D__PGI -D__CUDA -D__FFTW\n","output_type":"stream"}],"execution_count":8},{"cell_type":"markdown","source":"## 5. Compile and Run","metadata":{}},{"cell_type":"markdown","source":"The below code may take a few minutes to run. **Do not** interrupt execution. In case of errors saying certain parts are not there/broken, remove the comment on the cell below the given one. Then run the below cell and re-comment.","metadata":{}},{"cell_type":"code","source":"!cd /kaggle/working/q-e-qe-7.5/bin\n!make pw -j4 2>&1\n#!make cp -j4 2>&1","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-08T08:54:57.796153Z","iopub.execute_input":"2026-07-08T08:54:57.796973Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"/bin/bash: line 1: cd: /kaggle/working/q-e-qe-7.5/bin: No such file or directory\ntest -d bin || mkdir bin\n( cd UtilXlib ; make TLDEPS= all || exit 1 )\ncd install ; make -f extlibs_makefile libcuda\n( cd FFTXlib ; make TLDEPS= all || exit 1 )\ncd install ; make -f extlibs_makefile libmbd\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/UtilXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c parallel_include.f90 -o parallel_include.o\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/install'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/FFTXlib'\n( cd src ; make all || exit 1 )\ninitializing external/devxlib submodule ...\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/install'\ninitializing external/mbd submodule ...\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/FFTXlib/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_param.f90 -o fft_param.o\n","output_type":"stream"},{"name":"stderr","text":"<>:5: SyntaxWarning: invalid escape sequence '\\s'\n<>:5: SyntaxWarning: invalid escape sequence '\\s'\n/tmp/ipykernel_57/1749368091.py:5: SyntaxWarning: invalid escape sequence '\\s'\n content = re.sub(r'^DFLAGS\\s*=(.*)$',\n","output_type":"stream"},{"name":"stdout","text":"\u001b[33mhint: Using 'master' as the name for the initial branch. This default branch name\u001b[m\n\u001b[33mhint: is subject to change. To configure the initial branch name to use in all\u001b[m\n\u001b[33mhint: Using 'master' as the name for the initial branch. This default branch name\u001b[m\n\u001b[33mhint: is subject to change. To configure the initial branch name to use in all\u001b[m\n\u001b[33mhint: of your new repositories, which will suppress this warning, call:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit config --global init.defaultBranch \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: Names commonly chosen instead of 'master' are 'main', 'trunk' and\u001b[m\n\u001b[33mhint: 'development'. The just-created branch can be renamed via this command:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit branch -m \u001b[m\n\u001b[33mhint: of your new repositories, which will suppress this warning, call:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit config --global init.defaultBranch \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: Names commonly chosen instead of 'master' are 'main', 'trunk' and\u001b[m\n\u001b[33mhint: 'development'. The just-created branch can be renamed via this command:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit branch -m \u001b[m\nInitialized empty Git repository in /kaggle/working/q-e-qe-7.5/external/devxlib/.git/\nInitialized empty Git repository in /kaggle/working/q-e-qe-7.5/external/mbd/.git/\nremote: Enumerating objects: 84, done.\u001b[K\nremote: Counting objects: 100% (84/84), done.\u001b[K\nremote: Compressing objects: 100% (82/82), done.\u001b[K\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fftw_interfaces.f90 -o fftw_interfaces.o\nremote: Total 84 (delta 3), reused 23 (delta 0), pack-reused 0 (from 0)\u001b[K\nUnpacking objects: 100% (84/84), 112.33 KiB | 3.04 MiB/s, done.\nFrom https://github.com/libmbd/libmbd\n * branch 89a3cc199c0a200c9f0f688c3229ef6b9a8d63bd -> FETCH_HEAD\nSwitched to a new branch 'recorded_HEAD'\nif test ! -d ../MBD; then \\\n mkdir ../MBD; \\\n cd /kaggle/working/q-e-qe-7.5//external/mbd/src; \\\nexport FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include \"; \\\nmake -f ../../mbd.make; cp *.mod *.a /kaggle/working/q-e-qe-7.5//MBD; cd ../../.. ;fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/external/mbd/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_constants.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c nvtx_wrapper.f90 -o nvtx_wrapper.o\nremote: Enumerating objects: 117, done.\u001b[K\nremote: Counting objects: 100% (117/117), done.\u001b[K\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.FFTW3.f90 -o fft_scalar.FFTW3.o\nremote: Compressing objects: 100% (104/104), done.\u001b[K\nsed -e 's/@PROJECT_VERSION_MAJOR@/0/' mbd_version.f90.in > mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_MINOR@/13/' mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_PATCH@/0/' mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_SUFFIX@/0/' mbd_version.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_gradients.f90\nremote: Total 117 (delta 16), reused 68 (delta 8), pack-reused 0 (from 0)\u001b[K\nReceiving objects: 100% (117/117), 5.07 MiB | 40.90 MiB/s, done.\nResolving deltas: 100% (16/16), done.\nFrom https://gitlab.com/max-centre/components/devicexlib\n * branch a6b89ef77b1ceda48e967921f1f5488d2df9226d -> FETCH_HEAD\nNVFORTRAN-W-0006-Input file empty (fft_scalar.FFTW3.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nSwitched to a new branch 'recorded_HEAD'\ncd /kaggle/working/q-e-qe-7.5//external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.5//make.inc ../; \\\nmake all; \\\ntouch /kaggle/working/q-e-qe-7.5//install/libcuda_devxlib # do not download and configure again\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/external/devxlib/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_auxfunc_mod.f90 -o device_auxfunc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.SX6.f90 -o fft_scalar.SX6.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_defaults.f90\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_auxfunc_mod.f90: 13)\nNVFORTRAN-W-0006-Input file empty (fft_scalar.SX6.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.cuFFT.f90 -o fft_scalar.cuFFT.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_linalg.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_fbuff.f90 -o device_fbuff.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c cptimer.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c copy.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_version.f90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c c_mkdir.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_utils.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c device_helper.f90 -o device_helper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_damping.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_smallbox.f90 -o fft_smallbox.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_formulas.f90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c fftw.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c fftw_sp.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_lapack.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_vdw_param.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_matrix.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_geom.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_dipole.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_memcpy_mod.f90 -o device_memcpy_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_memcpy_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_memcpy.f90 -o device_memcpy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_ts.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_coulomb.f90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c eval_infix.c\n\u001b[01m\u001b[0m\u001b[01m\"eval_infix.c\", line 431\u001b[0m: \u001b[01;35mwarning\u001b[0m: statement is unreachable [code_is_unreachable]\n return EOL;\n ^\n\n\u001b[01;36m\u001b[0m\u001b[01;36mRemark\u001b[0m: individual warnings can be suppressed with \"--diag_suppress \"\n\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c find_free_unit.f90 -o find_free_unit.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c fletcher32.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c md5.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c md5_from_file.c\n\u001b[01m\u001b[0m\u001b[01m\"md5_from_file.c\", line 79\u001b[0m: \u001b[01;35mwarning\u001b[0m: parameter \u001b[01m\"err\"\u001b[0m was set but never used [set_but_not_used]\n void get_md5(const char *file, char *md5, int err)\n ^\n\n\u001b[01;36m\u001b[0m\u001b[01;36mRemark\u001b[0m: individual warnings can be suppressed with \"--diag_suppress \"\n\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_density.f90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c memstat.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c memusage.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c mem_counter.f90 -o mem_counter.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c ptrace.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c util_param.f90 -o util_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c clib_wrappers.f90 -o clib_wrappers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_hamiltonian.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c clocks_handler.f90 -o clocks_handler.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_rpa.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c mp.f90 -o mp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_scs.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_methods.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c fftw_dp.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd.F90\nar -r libmbd.a mbd.o mbd_constants.o mbd_coulomb.o mbd_damping.o mbd_defaults.o mbd_density.o mbd_dipole.o mbd_formulas.o mbd_geom.o mbd_gradients.o mbd_hamiltonian.o mbd_lapack.o mbd_linalg.o mbd_matrix.o mbd_methods.o mbd_rpa.o mbd_scs.o mbd_ts.o mbd_utils.o mbd_version.o mbd_vdw_param.o\nar: creating libmbd.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/external/mbd/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/install'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_error.f90 -o fft_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_auxfunc.f90 -o device_auxfunc.o\n( cd XClib ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/XClib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xclib_utils_and_para.f90 -o xclib_utils_and_para.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_kind.f90 -o qe_kind.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c pbecor.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c data_buffer.f90 -o data_buffer.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c beefun.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c error_handler.f90 -o error_handler.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c mp_bands_util.f90 -o mp_bands_util.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c fletcher32_mod.f90 -o fletcher32_mod.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c timer.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c mp_base.f90 -o mp_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c timer_mod.f90 -o timer_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_fbuff_mod.f90 -o device_fbuff_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_fbuff_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c deviceXlib_mod.f90 -o deviceXlib_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (deviceXlib_mod.f90: 13)\nar ruv libdevXlib.a deviceXlib_mod.o device_memcpy.o device_memcpy_mod.o device_auxfunc.o device_auxfunc_mod.o device_fbuff.o device_fbuff_mod.o timer.o timer_mod.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdevXlib.a\na - deviceXlib_mod.o\na - device_memcpy.o\na - device_memcpy_mod.o\na - device_auxfunc.o\na - device_auxfunc_mod.o\na - device_fbuff.o\na - device_fbuff_mod.o\na - timer.o\na - timer_mod.o\nranlib libdevXlib.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/external/devxlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/install'\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c fft_stick.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c mp_base_gpu.f90 -o mp_base_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xclib_error.f90 -o xclib_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_constants.f90 -o qe_constants.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c dft_setting_params.f90 -o dft_setting_params.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_funct_corr_lda_lsda.f90 -o qe_funct_corr_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_funct_exch_lda_lsda.f90 -o qe_funct_exch_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_support.f90 -o fft_support.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c print_mem.f90 -o print_mem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_funct_exch_gga.f90 -o qe_funct_exch_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_beef_interface.f90 -o xc_beef_interface.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c set_mpi_comm_4_solvers.f90 -o set_mpi_comm_4_solvers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c thread_util.f90 -o thread_util.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c stick_base.f90 -o stick_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_drivers_lda_lsda.f90 -o qe_drivers_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c divide.f90 -o divide.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.DFTI.f90 -o fft_scalar.DFTI.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c export_gstart_2_solvers.f90 -o export_gstart_2_solvers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_dft_list.f90 -o qe_dft_list.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.ESSL.f90 -o fft_scalar.ESSL.o\nar ruv libutil.a clib_wrappers.o clocks_handler.o cptimer.o copy.o c_mkdir.o device_helper.o divide.o data_buffer.o eval_infix.o error_handler.o export_gstart_2_solvers.o find_free_unit.o fletcher32_mod.o fletcher32.o md5.o md5_from_file.o memstat.o memusage.o mem_counter.o mp.o mp_base.o mp_base_gpu.o mp_bands_util.o parallel_include.o print_mem.o ptrace.o set_mpi_comm_4_solvers.o util_param.o thread_util.o nvtx_wrapper.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libutil.a\na - clib_wrappers.o\na - clocks_handler.o\na - cptimer.o\na - copy.o\na - c_mkdir.o\na - device_helper.o\na - divide.o\na - data_buffer.o\na - eval_infix.o\na - error_handler.o\na - export_gstart_2_solvers.o\na - find_free_unit.o\na - fletcher32_mod.o\na - fletcher32.o\na - md5.o\na - md5_from_file.o\na - memstat.o\na - memusage.o\na - mem_counter.o\na - mp.o\na - mp_base.o\na - mp_base_gpu.o\na - mp_bands_util.o\na - parallel_include.o\na - print_mem.o\na - ptrace.o\na - set_mpi_comm_4_solvers.o\na - util_param.o\na - thread_util.o\na - nvtx_wrapper.o\nranlib libutil.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/UtilXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.FFTW.f90 -o fft_scalar.FFTW.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.ESSL.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_funct_corr_gga.f90 -o qe_funct_corr_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_drivers_d_lda_lsda.f90 -o qe_drivers_d_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_types.f90 -o fft_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.f90 -o fft_scalar.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_wrapper_lda_lsda.f90 -o xc_wrapper_lda_lsda.o\n( cd LAXlib ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/LAXlib'\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib.h -o laxlib.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib_hi.h -o laxlib_hi.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib_kinds.h -o laxlib_kinds.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib_low.h -o laxlib_low.fh\n( cd upflib ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/upflib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_kinds.f90 -o upf_kinds.o\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib_mid.h -o laxlib_mid.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib_param.h -o laxlib_param.fh\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c la_types.f90 -o la_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c dft_setting_routines.f90 -o dft_setting_routines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_io.f90 -o upf_io.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c la_param.f90 -o la_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_params.f90 -o upf_params.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_utils.f90 -o upf_utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c la_module.f90 -o la_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_invmat.f90 -o upf_invmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_funct_mgga.f90 -o qe_funct_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c paw_variables.f90 -o paw_variables.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atomic_number.f90 -o atomic_number.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dylmr2.f90 -o dylmr2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c dspev_drv.f90 -o dspev_drv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c splinelib.f90 -o splinelib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c scatter_mod.f90 -o scatter_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c xmltools.f90 -o xmltools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mp_diag.f90 -o mp_diag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c zhpev_drv.f90 -o zhpev_drv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scatter_2d.f90 -o fft_scatter_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c spinor.f90 -o spinor.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_buffers.f90 -o fft_buffers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c sph_ind.f90 -o sph_ind.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c simpsn.f90 -o simpsn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c rdiaghg.f90 -o rdiaghg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_parallel_include.f90 -o upf_parallel_include.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scatter_2d_gpu.f90 -o fft_scatter_2d_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c ylmr2_gpu.f90 -o ylmr2_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_drivers_gga.f90 -o qe_drivers_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c ptoolkit.f90 -o ptoolkit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_ggen.f90 -o fft_ggen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dom.f90 -o dom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_drivers_mgga.f90 -o qe_drivers_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scatter.f90 -o fft_scatter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c wxml.f90 -o wxml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_wrapper_d_lda_lsda.f90 -o xc_wrapper_d_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_const.f90 -o upf_const.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c pseudo_types.f90 -o pseudo_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_wrapper_gga.f90 -o xc_wrapper_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_parallel_2d.f90 -o fft_parallel_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c sph_bes.f90 -o sph_bes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_wrapper_mgga.f90 -o xc_wrapper_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_lib.f90 -o xc_lib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_auxtools.f90 -o upf_auxtools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_drivers_d_gga.f90 -o qe_drivers_d_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_smallbox_type.f90 -o fft_smallbox_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_error.f90 -o upf_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c write_upf_new.f90 -o write_upf_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c tg_gather.f90 -o tg_gather.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_wrapper_d_gga.f90 -o xc_wrapper_d_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c ylmr2.f90 -o ylmr2.o\nar ruv xc_lib.a xclib_utils_and_para.o xclib_error.o qe_kind.o qe_constants.o dft_setting_params.o dft_setting_routines.o qe_dft_list.o qe_funct_corr_lda_lsda.o qe_funct_exch_lda_lsda.o qe_funct_corr_gga.o qe_funct_exch_gga.o qe_funct_mgga.o xc_beef_interface.o qe_drivers_lda_lsda.o qe_drivers_d_lda_lsda.o qe_drivers_gga.o qe_drivers_d_gga.o qe_drivers_mgga.o xc_wrapper_d_gga.o xc_wrapper_d_lda_lsda.o xc_wrapper_gga.o xc_wrapper_lda_lsda.o xc_wrapper_mgga.o xc_lib.o pbecor.o beefun.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating xc_lib.a\na - xclib_utils_and_para.o\na - xclib_error.o\na - qe_kind.o\na - qe_constants.o\na - dft_setting_params.o\na - dft_setting_routines.o\na - qe_dft_list.o\na - qe_funct_corr_lda_lsda.o\na - qe_funct_exch_lda_lsda.o\na - qe_funct_corr_gga.o\na - qe_funct_exch_gga.o\na - qe_funct_mgga.o\na - xc_beef_interface.o\na - qe_drivers_lda_lsda.o\na - qe_drivers_d_lda_lsda.o\na - qe_drivers_gga.o\na - qe_drivers_d_gga.o\na - qe_drivers_mgga.o\na - xc_wrapper_d_gga.o\na - xc_wrapper_d_lda_lsda.o\na - xc_wrapper_gga.o\na - xc_wrapper_lda_lsda.o\na - xc_wrapper_mgga.o\na - xc_lib.o\na - pbecor.o\na - beefun.o\nranlib xc_lib.a\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/XClib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c virtual_v2.f90 -o virtual_v2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c transto.f90 -o transto.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_helper_subroutines.f90 -o fft_helper_subroutines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c casino_pp.f90 -o casino_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c distools.f90 -o distools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c la_error.f90 -o la_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c la_helper.f90 -o la_helper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c cdiaghg.f90 -o cdiaghg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scatter_gpu.f90 -o fft_scatter_gpu.o\nar ruv libqela.a la_types.o la_error.o la_module.o la_helper.o cdiaghg.o rdiaghg.o dspev_drv.o ptoolkit.o transto.o distools.o zhpev_drv.o mp_diag.o la_param.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqela.a\na - la_types.o\na - la_error.o\na - la_module.o\na - la_helper.o\na - cdiaghg.o\na - rdiaghg.o\na - dspev_drv.o\na - ptoolkit.o\na - transto.o\na - distools.o\na - zhpev_drv.o\na - mp_diag.o\na - la_param.o\nranlib libqela.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/LAXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c radial_grids.f90 -o radial_grids.o\n( cd KS_Solvers ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers'\nMakefile:80: warning: overriding recipe for target 'librmm'\nMakefile:72: warning: ignoring old recipe for target 'librmm'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/Davidson_RCI'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c david_rci.f90 -o david_rci.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c uspp_param.f90 -o uspp_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_interfaces.f90 -o fft_interfaces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gth.f90 -o gth.o\nar ruv libdavid_rci.a david_rci.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdavid_rci.a\na - david_rci.o\nranlib libdavid_rci.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/Davidson'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c cegterg.f90 -o cegterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_parallel.f90 -o fft_parallel.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_interpolate.f90 -o fft_interpolate.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_spinorb.f90 -o upf_spinorb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_cpmd.f90 -o read_cpmd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c regterg.f90 -o regterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_fwinv.f90 -o fft_fwinv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_fhi.f90 -o read_fhi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_ncpp.f90 -o read_ncpp.o\nar ruv libqefft.a scatter_mod.o fft_scatter_2d.o fft_scatter_gpu.o fft_scatter_2d_gpu.o fft_ggen.o fft_fwinv.o fft_scalar.o fft_scalar.DFTI.o fft_scalar.ESSL.o fft_scalar.FFTW.o fft_scatter.o fft_scalar.cuFFT.o fftw_interfaces.o fft_scalar.FFTW3.o fft_scalar.SX6.o fft_parallel.o fft_parallel_2d.o fft_interfaces.o fft_interpolate.o stick_base.o fftw.o fftw_sp.o fftw_dp.o fft_smallbox.o fft_smallbox_type.o fft_support.o fft_error.o fft_stick.o fft_types.o tg_gather.o fft_helper_subroutines.o fft_param.o fft_buffers.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqefft.a\na - scatter_mod.o\na - fft_scatter_2d.o\na - fft_scatter_gpu.o\na - fft_scatter_2d_gpu.o\na - fft_ggen.o\na - fft_fwinv.o\na - fft_scalar.o\na - fft_scalar.DFTI.o\na - fft_scalar.ESSL.o\na - fft_scalar.FFTW.o\na - fft_scatter.o\na - fft_scalar.cuFFT.o\na - fftw_interfaces.o\na - fft_scalar.FFTW3.o\na - fft_scalar.SX6.o\na - fft_parallel.o\na - fft_parallel_2d.o\na - fft_interfaces.o\na - fft_interpolate.o\na - stick_base.o\na - fftw.o\na - fftw_sp.o\na - fftw_dp.o\na - fft_smallbox.o\na - fft_smallbox_type.o\na - fft_support.o\na - fft_error.o\na - fft_stick.o\na - fft_types.o\na - tg_gather.o\na - fft_helper_subroutines.o\na - fft_param.o\na - fft_buffers.o\nranlib libqefft.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/FFTXlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/FFTXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_psml.f90 -o read_psml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c cegterg_gpu.f90 -o cegterg_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c regterg_gpu.f90 -o regterg_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_upf_new.f90 -o read_upf_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_upf_v1.f90 -o read_upf_v1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_uspp.f90 -o read_uspp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_ions.f90 -o upf_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_to_internal.f90 -o upf_to_internal.o\nar ruv libdavid.a cegterg.o regterg.o cegterg_gpu.o regterg_gpu.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdavid.a\na - cegterg.o\na - regterg.o\na - cegterg_gpu.o\na - regterg_gpu.o\nranlib libdavid.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/Davidson'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/CG'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c ccgdiagg.f90 -o ccgdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c rcgdiagg.f90 -o rcgdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upfconv.f90 -o upfconv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c casino2upf.f90 -o casino2upf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atom.f90 -o atom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c uspp.f90 -o uspp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_0.f90 -o init_us_0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_b0.f90 -o init_us_b0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_ps.f90 -o read_ps.o\nar ruv libcg.a ccgdiagg.o rcgdiagg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libcg.a\na - ccgdiagg.o\na - rcgdiagg.o\nranlib libcg.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/CG'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/ParO'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_gamma.f90 -o paro_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_gamma_new.f90 -o paro_gamma_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atwfc_mod.f90 -o atwfc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_k.f90 -o paro_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_k_new.f90 -o paro_k_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcg_gamma.f90 -o pcg_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c beta_mod.f90 -o beta_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c qrad_mod.f90 -o qrad_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c rhoat_mod.f90 -o rhoat_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c rhoc_mod.f90 -o rhoc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcg_k.f90 -o pcg_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c bpcg_gamma.f90 -o bpcg_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c bpcg_k.f90 -o bpcg_k.o\nNVFORTRAN-W-0155-Constant or Parameter used in data clause - maxter (bpcg_gamma.f90: 304)\nNVFORTRAN-W-0155-Constant or Parameter used in data clause - maxter (bpcg_k.f90: 300)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c vloc_mod.f90 -o vloc_mod.o\n 0 inform, 1 warnings, 0 severes, 0 fatal for bpcg_gamma\n 0 inform, 1 warnings, 0 severes, 0 fatal for bpcg_k\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c qvan2.f90 -o qvan2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dqvan2.f90 -o dqvan2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gen_us_dj.f90 -o gen_us_dj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gen_us_dy.f90 -o gen_us_dy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_1.f90 -o init_us_1.o\nar ruv libparo.a paro_gamma.o paro_gamma_new.o paro_k.o paro_k_new.o pcg_gamma.o pcg_k.o bpcg_gamma.o bpcg_k.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libparo.a\na - paro_gamma.o\na - paro_gamma_new.o\na - paro_k.o\na - paro_k_new.o\na - pcg_gamma.o\na - pcg_k.o\na - bpcg_gamma.o\na - bpcg_k.o\nranlib libparo.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/RMM'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../PPCG -I ../../UtilXlib -I. -c crmmdiagg.f90 -o crmmdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../PPCG -I ../../UtilXlib -I. -c rrmmdiagg.f90 -o rrmmdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_2_acc.f90 -o init_us_2_acc.o\nnvfortran -cuda -gpu=cc75,cuda12.6 -acc -o virtual_v2.x virtual_v2.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nnvfortran -cuda -gpu=cc75,cuda12.6 -acc -o upfconv.x upfconv.o casino_pp.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nnvfortran -cuda -gpu=cc75,cuda12.6 -acc -o casino2upf.x casino2upf.o casino_pp.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nar ruv libupf.a atwfc_mod.o beta_mod.o qrad_mod.o rhoat_mod.o rhoc_mod.o vloc_mod.o qvan2.o dqvan2.o gen_us_dj.o gen_us_dy.o init_us_0.o init_us_b0.o init_us_1.o init_us_2_acc.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libupf.a\na - atwfc_mod.o\na - beta_mod.o\na - qrad_mod.o\na - rhoat_mod.o\na - rhoc_mod.o\na - vloc_mod.o\na - qvan2.o\na - dqvan2.o\na - gen_us_dj.o\na - gen_us_dy.o\na - init_us_0.o\na - init_us_b0.o\na - init_us_1.o\na - init_us_2_acc.o\na - atom.o\na - atomic_number.o\na - dylmr2.o\na - gth.o\na - paw_variables.o\na - pseudo_types.o\na - radial_grids.o\na - read_cpmd.o\na - read_fhi.o\na - read_ncpp.o\na - read_ps.o\na - read_psml.o\na - read_upf_new.o\na - read_upf_v1.o\na - read_uspp.o\na - spinor.o\na - sph_ind.o\na - sph_bes.o\na - splinelib.o\na - simpsn.o\na - upf_auxtools.o\na - upf_const.o\na - upf_error.o\na - upf_invmat.o\na - upf_io.o\na - upf_ions.o\na - upf_kinds.o\na - upf_params.o\na - upf_parallel_include.o\na - upf_spinorb.o\na - upf_to_internal.o\na - upf_utils.o\na - uspp.o\na - uspp_param.o\na - write_upf_new.o\na - xmltools.o\na - ylmr2.o\na - ylmr2_gpu.o\na - dom.o\na - wxml.o\nranlib libupf.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/upflib'\n( cd Modules ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/Modules'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c kind.f90 -o kind.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c parameters.f90 -o parameters.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c io_global.f90 -o io_global.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_bands.f90 -o mp_bands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c noncol.f90 -o noncol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c bspline.f90 -o bspline.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fft_base.f90 -o fft_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c coulomb_vcut.f90 -o coulomb_vcut.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c environ_api_stub.f90 -o environ_api_stub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_pools.f90 -o mp_pools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qeh5_module.f90 -o qeh5_module.o\nar ruv librmm.a crmmdiagg.o rrmmdiagg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating librmm.a\na - crmmdiagg.o\na - rrmmdiagg.o\nranlib librmm.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/DENSE'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_HSpsi_gamma.f90 -o rotate_HSpsi_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_HSpsi_k.f90 -o rotate_HSpsi_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_wfc_gamma.f90 -o rotate_wfc_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c version.f90 -o version.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fsockets.f90 -o fsockets.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c lmdif.f90 -o lmdif.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c plugin_flags.f90 -o plugin_flags.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mdiis.f90 -o mdiis.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_wfc_k.f90 -o rotate_wfc_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_driver.f90 -o rotate_driver.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_xpsi_k.f90 -o rotate_xpsi_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_wave.f90 -o mp_wave.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_xpsi_gamma.f90 -o rotate_xpsi_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c open_close_input_file.f90 -o open_close_input_file.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c plugin_arguments.f90 -o plugin_arguments.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c plugin_variables.f90 -o plugin_variables.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c gram_schmidt_gamma.f90 -o gram_schmidt_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wypos.f90 -o wypos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c run_info.f90 -o run_info.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c gram_schmidt_k.f90 -o gram_schmidt_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c space_group.f90 -o space_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c set_vdw_corr.f90 -o set_vdw_corr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_types_module.f90 -o qes_types_module.o\nar ruv libdense.a rotate_HSpsi_gamma.o rotate_HSpsi_k.o rotate_wfc_gamma.o rotate_wfc_k.o rotate_driver.o rotate_xpsi_k.o rotate_xpsi_gamma.o gram_schmidt_gamma.o gram_schmidt_k.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdense.a\na - rotate_HSpsi_gamma.o\na - rotate_HSpsi_k.o\na - rotate_wfc_gamma.o\na - rotate_wfc_k.o\na - rotate_driver.o\na - rotate_xpsi_k.o\na - rotate_xpsi_gamma.o\na - gram_schmidt_gamma.o\na - gram_schmidt_k.o\nranlib libdense.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/DENSE'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nar ruv libks_solvers.a Davidson_RCI/david_rci.o Davidson/cegterg.o Davidson/regterg.o CG/ccgdiagg.o CG/rcgdiagg.o ParO/bpcg_gamma.o ParO/bpcg_k.o ParO/paro_gamma.o ParO/pcg_gamma.o ParO/paro_k.o ParO/pcg_k.o ParO/paro_gamma_new.o ParO/paro_k_new.o DENSE/rotate_HSpsi_gamma.o DENSE/rotate_HSpsi_k.o DENSE/rotate_wfc_gamma.o DENSE/rotate_wfc_k.o DENSE/rotate_driver.o DENSE/gram_schmidt_gamma.o DENSE/gram_schmidt_k.o DENSE/rotate_xpsi_gamma.o DENSE/rotate_xpsi_k.o RMM/crmmdiagg.o RMM/rrmmdiagg.o Davidson/cegterg_gpu.o Davidson/regterg_gpu.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libks_solvers.a\na - Davidson_RCI/david_rci.o\na - Davidson/cegterg.o\na - Davidson/regterg.o\na - CG/ccgdiagg.o\na - CG/rcgdiagg.o\na - ParO/bpcg_gamma.o\na - ParO/bpcg_k.o\na - ParO/paro_gamma.o\na - ParO/pcg_gamma.o\na - ParO/paro_k.o\na - ParO/pcg_k.o\na - ParO/paro_gamma_new.o\na - ParO/paro_k_new.o\na - DENSE/rotate_HSpsi_gamma.o\na - DENSE/rotate_HSpsi_k.o\na - DENSE/rotate_wfc_gamma.o\na - DENSE/rotate_wfc_k.o\na - DENSE/rotate_driver.o\na - DENSE/gram_schmidt_gamma.o\na - DENSE/gram_schmidt_k.o\na - DENSE/rotate_xpsi_gamma.o\na - DENSE/rotate_xpsi_k.o\na - RMM/crmmdiagg.o\na - RMM/rrmmdiagg.o\na - Davidson/cegterg_gpu.o\na - Davidson/regterg_gpu.o\nranlib libks_solvers.a\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include ks_solver_interfaces.h -o ks_solver_interfaces.fh\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c setqf.f90 -o setqf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c timestep.f90 -o timestep.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c molecule_types.f90 -o molecule_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c zvscal.f90 -o zvscal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wave_gauge.f90 -o wave_gauge.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c atom_weight.f90 -o atom_weight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c capital.f90 -o capital.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c cryst_to_car.f90 -o cryst_to_car.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c expint.f90 -o expint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c generate_k_along_lines.f90 -o generate_k_along_lines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c has_xml.f90 -o has_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c inpfile.f90 -o inpfile.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c int_to_char.f90 -o int_to_char.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c linpack.f90 -o linpack.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c matches.f90 -o matches.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c plot_io.f90 -o plot_io.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c radial_gradients.f90 -o radial_gradients.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c rgen.f90 -o rgen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c recips.f90 -o recips.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c remove_tot_torque.f90 -o remove_tot_torque.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c sort.f90 -o sort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c trimcheck.f90 -o trimcheck.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c test_input_file.f90 -o test_input_file.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c date_and_tim.f90 -o date_and_tim.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c volume.f90 -o volume.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c deviatoric.f90 -o deviatoric.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c customize_signals.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c qmmm_aux.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc75,cuda12.6 -acc -c sockets.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_rism.f90 -o mp_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c err_rism.f90 -o err_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvmol.f90 -o solvmol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c cryst_to_car_2d.f90 -o cryst_to_car_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c lj_forcefield.f90 -o lj_forcefield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_swap_ax_rism.f90 -o mp_swap_ax_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c plot_rism.f90 -o plot_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c rms_residual.f90 -o rms_residual.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c constants.f90 -o constants.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c control_flags.f90 -o control_flags.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c invmat.f90 -o invmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wannier_new.f90 -o wannier_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_images.f90 -o mp_images.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c recvec.f90 -o recvec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_world.f90 -o mp_world.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c random_numbers.f90 -o random_numbers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c cell_nose.f90 -o cell_nose.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c basic_algebra_routines.f90 -o basic_algebra_routines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c io_files.f90 -o io_files.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c bz_form.f90 -o bz_form.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c set_signal.f90 -o set_signal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c command_line_options.f90 -o command_line_options.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c electrons_base.f90 -o electrons_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fox_init_module.f90 -o fox_init_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fft_rho.f90 -o fft_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fft_wave.f90 -o fft_wave.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c gvecw.f90 -o gvecw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_exx.f90 -o mp_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_global.f90 -o mp_global.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c printout_base.f90 -o printout_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c pw_dot.f90 -o pw_dot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c recvec_subs.f90 -o recvec_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c set_para_diag.f90 -o set_para_diag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c copy_order_um_from_xml.f90 -o copy_order_um_from_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wavefunctions.f90 -o wavefunctions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c ws_base.f90 -o ws_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c io_base.f90 -o io_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_bcast_module.f90 -o qes_bcast_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_init_module.f90 -o qes_init_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_read_module.f90 -o qes_read_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_reset_module.f90 -o qes_reset_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_write_module.f90 -o qes_write_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qexsd_copy.f90 -o qexsd_copy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c hdf5_qe.f90 -o hdf5_qe.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c xsf.f90 -o xsf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wyckoff.f90 -o wyckoff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c random_numbers_gpu.f90 -o random_numbers_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c latgen.f90 -o latgen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wgauss.f90 -o wgauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c w0gauss.f90 -o w0gauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c w1gauss.f90 -o w1gauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c lauefft.f90 -o lauefft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c radfft.f90 -o radfft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c molecule_const.f90 -o molecule_const.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c suscept_g0.f90 -o suscept_g0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c cell_base.f90 -o cell_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c input_parameters.f90 -o input_parameters.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c atomic_wfc_mod.f90 -o atomic_wfc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c parser.f90 -o parser.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c ions_base.f90 -o ions_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c becmod.f90 -o becmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c bfgs_module.f90 -o bfgs_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c check_stop.f90 -o check_stop.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c compute_dipole.f90 -o compute_dipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c constraints_module.f90 -o constraints_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c dist.f90 -o dist.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c environ_base_module.f90 -o environ_base_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c environment.f90 -o environment.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c extffield.f90 -o extffield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fd_gradient.f90 -o fd_gradient.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c xc_rVV10.f90 -o xc_rVV10.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c xc_vdW_DF.f90 -o xc_vdW_DF.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c generate_function.f90 -o generate_function.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c gradutils.f90 -o gradutils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c makov_payne.f90 -o makov_payne.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mm_dispersion.f90 -o mm_dispersion.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qmmm.f90 -o qmmm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_namelists.f90 -o read_namelists.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c tsvdw.f90 -o tsvdw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wannier_gw.f90 -o wannier_gw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_libs_module.f90 -o qes_libs_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qexsd_init.f90 -o qexsd_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qexsd_input.f90 -o qexsd_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c recvec_3drism.f90 -o recvec_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c xml_io_rism.f90 -o xml_io_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_mol.f90 -o read_mol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c lauefft_subs.f90 -o lauefft_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvavg.f90 -o solvavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c scale_fft_3drism.f90 -o scale_fft_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c scale_fft_lauerism.f90 -o scale_fft_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c additional_kpoints.f90 -o additional_kpoints.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c autopilot.f90 -o autopilot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c ions_nose.f90 -o ions_nose.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c funct.f90 -o funct.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_cards.f90 -o read_cards.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c allocate_fft_3drism.f90 -o allocate_fft_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c rism.f90 -o rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c data_structure_3drism.f90 -o data_structure_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_solv.f90 -o read_solv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_pseudo.f90 -o read_pseudo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc75,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mbdlib.f90 -o mbdlib.o\n","output_type":"stream"}],"execution_count":null},{"cell_type":"markdown","source":"Below code runs QE and the analysis.","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > run_qe.sh << 'EOF'\n#!/bin/bash\nexport CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\nexec /kaggle/working/q-e-qe-7.5/bin/pw.x -nb 4 -in input.in > output.out\nEOF\nchmod +x run_qe.sh\n\nmpirun --allow-run-as-root -np 2 \\\n --bind-to none \\\n ./run_qe.sh || true","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Check outputs for any errors(saves a lot of time compared to trying to use mpirun error codes)","metadata":{}},{"cell_type":"code","source":"!cat output.out","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Runs phonon calculations once phonpy has made the supercells.","metadata":{}},{"cell_type":"code","source":"import glob\nimport os\nimport re\n\n# 1. Sort all supercell files numerically\nall_files = glob.glob('supercell-*.in')\nall_files.sort(key=lambda f: int(re.sub(r'\\D', '', f)))\n\n# 2. Filter list to stop at 90\ntarget_files = []\nfor f in all_files:\n match = re.search(r'-(\\d+)\\.', f)\n if match and int(match.group(1)) <= 90:\n target_files.append(f)\n\n# 3. Create the parallel worker script\n# Rank 0 processes indices 0, 2, 4... Rank 1 processes indices 1, 3, 5...\nwith open(\"run_parallel.sh\", \"w\") as f:\n f.write(\"#!/bin/bash\\n\")\n f.write(\"export CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\\n\")\n f.write(\"RANK=${OMPI_COMM_WORLD_LOCAL_RANK}\\n\")\n f.write(\"SIZE=${OMPI_COMM_WORLD_LOCAL_SIZE}\\n\")\n f.write(\"FILES=(\\\"$@\\\")\\n\\n\")\n \n f.write(\"for (( i=$RANK; i<${#FILES[@]}; i+=$SIZE )); do\\n\")\n f.write(\" IN_FILE=${FILES[$i]}\\n\")\n f.write(\" OUT_FILE=\\\"${IN_FILE%.in}.out\\\"\\n\")\n \n # Skip if output already exists and isn't empty\n f.write(\" if [ -s \\\"$OUT_FILE\\\" ]; then\\n\")\n f.write(\" echo \\\"Rank $RANK: Skipping $IN_FILE (already done)\\\"\\n\")\n f.write(\" continue\\n\")\n f.write(\" fi\\n\\n\")\n \n # Isolated work directory to prevent GPU scratch-file collisions\n f.write(\" WORKDIR=\\\"work_rank_${RANK}_idx_${i}\\\"\\n\")\n f.write(\" mkdir -p $WORKDIR && cp $IN_FILE $WORKDIR/in.in\\n\")\n \n f.write(\" echo \\\"Rank $RANK: Starting $IN_FILE on GPU $RANK\\\"\\n\")\n # Execute pw.x\n f.write(\" /kaggle/working/q-e-qe-7.5/bin/pw.x -in $WORKDIR/in.in > $OUT_FILE\\n\")\n \n f.write(\" rm -rf $WORKDIR\\n\")\n f.write(\"done\\n\")\n\n!chmod +x run_parallel.sh\n\n# 4. Launch the two workers\nfiles_str = \" \".join(target_files)\n!mpirun --allow-run-as-root -np 2 --bind-to none ./run_parallel.sh {files_str}","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"## 6.(Optional) In case .in files not present and only .xyz file available ","metadata":{}},{"cell_type":"markdown","source":"Run this if you have .in files and need ld1.x to run to create a .upf file.","metadata":{}},{"cell_type":"code","source":"'''!cd /kaggle/working/q-e-qe-7.5/bin\n!make ld1 -j2'''\n!cd /kaggle/input/datasets/pcsciprav/actinide-basis-set-rel/fully-relativistic-basis\n!../q-e-qe-7.2/bin/ld1.x < /kaggle/input/datasets/pcsciprav/actinide-basis-set-rel/fully-relativistic-basis/pu.in > pu.out\n# Change the .in and .out file names to match the input .in file name. Use the same .out name.","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Change the link to any pseudopotential file as an alternative to ld1.","metadata":{}},{"cell_type":"code","source":"!wget https://pseudopotentials.quantum-espresso.org/upf_files/V.pbe-spnl-kjpaw_psl.1.0.0.UPF\n#!wget https://pseudopotentials.quantum-espresso.org/upf_files/N.rel-pz-n-kjpaw_psl.1.0.0.UPF\n#!wget https://pseudopotentials.quantum-espresso.org/upf_files/F.rel-pbe-n-kjpaw_psl.0.1.UPF","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Run this snippet first and ensure persistence is set to files or variables and files.","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > relaxed.xyz << EOF\n37\nempty space\nN 12.1526494309 9.1674866038 10.4272563978\nN 11.4556314360 8.3476721009 9.3724563712\nN 10.4085781859 8.9452001098 8.5765180226\nO 10.2718526399 8.5017884604 7.4532391213\nO 9.7165347183 9.7856141721 9.1645407217\nC 12.4249924461 7.5512921343 8.6491909387\nN 12.3702088750 6.0774299018 9.0416975744\nF 12.3651994415 6.0966380513 10.4762292065\nF 11.0347403005 5.7357188652 8.7231338902\nN 13.6803020212 8.1067563575 9.0597910569\nN 14.9143945600 7.5915401914 8.5478214130\nO 14.8418348346 7.0599920707 7.4641294751\nO 15.8908227803 7.8059543669 9.2625250951\nC 13.6191085175 8.7986737271 10.3319536904\nN 14.4123982432 9.9862081067 10.2751810138\nN 15.1820962259 10.3904754986 11.4987542363\nO 15.3867765738 9.4574763928 12.2835028369\nO 15.5198099804 11.5399805161 11.5490879344\nN 14.0393168409 11.0094227759 9.4536088887\nN 14.3915092640 10.8151655952 8.1150041787\nN 15.8238564951 11.7189776386 7.7206688030\nO 16.2039464129 11.5410874101 6.6569448982\nO 16.2484003472 12.3177377991 8.7208363225\nC 13.3094948299 11.3213443707 7.3148945555\nO 13.3548076343 11.5872872584 6.1319814536\nN 12.1875870461 11.4251007934 8.1905011705\nN 11.0403487451 12.3402843540 7.8805557499\nO 10.6992813133 12.2754963153 6.6336760936\nO 10.5998662926 12.9372978941 8.7366123765\nC 12.6053676196 11.4456388964 9.5951713605\nN 11.9308304378 10.4873601424 10.4297571300\nN 11.2185731431 10.9876765605 11.6973738104\nO 11.1975901142 12.2190320519 11.7972567452\nO 10.7721324670 10.1342543880 12.3984061151\nH 12.2632373397 7.5632546198 7.5732547189\nH 13.9283703285 8.1927228731 11.1913993381\nH 12.4939621172 12.4291206357 10.0484672950\nEOF","metadata":{"trusted":true,"jupyter":{"source_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"import os\nimport shutil\nimport requests\n\nPSEUDO_DIR = \"pseudo\"\nos.makedirs(PSEUDO_DIR, exist_ok=True)\nBASE_URL = \"https://pseudopotentials.quantum-espresso.org/upf_files/\"\n\nmanual_pseudos = {\n #'V': '/kaggle/working/q-e-qe-7.5/V.pbe-spnl-kjpaw_psl.1.0.0.UPF'\n}\n\nmasses = {\n 'U': 238.03,\n 'Pu': 244.06,\n 'Au': 196.966570,\n 'Fr': 223,\n 'Cs': 132.91,\n 'N': 14.007,\n 'Nd': 144.242,\n 'Tc': 97.907,\n 'As': 74.9216,\n 'O': 16,\n 'C': 12,\n 'Os': 190.23,\n 'Pt': 198.9705762,\n 'Hg': 200.59,\n 'F': 18.998\n}\n\nhubbard_u = {\n #'U': 3.0\n}\n\ndef find_pseudo(element):\n return [\n f\"{element}.pbe-spn-kjpaw_psl.1.0.0.UPF\",\n f\"{element}.pbe-n-kjpaw_psl.1.0.0.UPF\",\n f\"{element}.pbe-kjpaw_psl.1.0.0.UPF\",\n ]\n\ndef try_download(element):\n for name in find_pseudo(element):\n path = os.path.join(PSEUDO_DIR, name)\n\n if os.path.exists(path):\n print(f\"Using existing pseudo: {path}\")\n return name\n\n url = BASE_URL + name\n try:\n r = requests.get(url, timeout=30)\n if r.status_code == 200 and len(r.content) > 0:\n with open(path, \"wb\") as f:\n f.write(r.content)\n print(f\"Downloaded {name}\")\n return name\n except Exception as e:\n print(f\"Could not download {name}: {e}\")\n\n return None\n\ndef install_manual_pseudo(element):\n src = manual_pseudos[element]\n if not os.path.exists(src):\n raise FileNotFoundError(f\"Manual pseudopotential for {element} not found: {src}\")\n\n filename = os.path.basename(src)\n dst = os.path.join(PSEUDO_DIR, filename)\n\n if not os.path.exists(dst):\n shutil.copyfile(src, dst)\n print(f\"Copied manual pseudo for {element} to {dst}\")\n else:\n print(f\"Using existing copied pseudo for {element}: {dst}\")\n\n return filename\n\ndef download_pseudo(element):\n if element in manual_pseudos:\n return install_manual_pseudo(element)\n\n result = try_download(element)\n if result:\n return result\n\n raise Exception(f\"No pseudopotential found for {element}\")\n\ndef xyz_to_qe(xyz_file, output=\"input.in\"):\n with open(xyz_file, \"r\", encoding=\"utf-8\") as f:\n lines = f.readlines()\n\n nat = int(lines[0].strip())\n coords = lines[2:2 + nat]\n\n atoms = []\n species_ordered = []\n\n for line in coords:\n parts = line.split()\n if len(parts) < 4:\n raise ValueError(f\"Invalid XYZ line: {line!r}\")\n el, x, y, z = parts[:4]\n x = float(x) + 10.0\n y = float(y) + 10.0\n z = float(z) + 10.0\n atoms.append((el, x, y, z))\n if el not in species_ordered:\n species_ordered.append(el)\n\n pseudo_map = {}\n for el in species_ordered:\n pseudo_map[el] = download_pseudo(el)\n\n with open(output, \"w\", encoding=\"ascii\", newline=\"\\n\") as f:\n # CONTROL\n f.write(\"&CONTROL\\n\")\n f.write(\" calculation = 'scf'\\n\") # Either keep it as relax or scf\n #f.write(\" restart_mode='restart'\\n\")\n f.write(\" pseudo_dir = './pseudo/'\\n\")\n f.write(\" outdir = './tmp/'\\n\")\n f.write(\" prefix = 'calc'\\n\")\n f.write(\" tprnfor = .true.\\n\") # Remove this and the line below if forces for phonons not needed\n f.write(\" tstress = .true.\\n\")\n f.write(\"/\\n\\n\")\n\n # SYSTEM\n f.write(\"&SYSTEM\\n\")\n f.write(f\" nat = {nat}\\n\")\n f.write(f\" ntyp = {len(species_ordered)}\\n\")\n f.write(\" ecutwfc = 45\\n\")\n #f.write(\" tot_charge = 1\\n\") #Remove comment if using charged body\n #f.write(\" ecutrho = 270\\n\")\n #f.write(\" nbnd = 65\\n\")\n f.write(\" input_dft = 'PBE'\\n\")\n f.write(\" occupations = 'smearing'\\n\")\n f.write(\" smearing = 'gaussian'\\n\")\n f.write(\" degauss = 0.005\\n\")\n f.write(\" vdw_corr = 'grimme-d3'\\n\")\n f.write(\" dftd3_version = 4\\n\")\n f.write(\" dftd3_threebody = .false.\\n\")\n #f.write(\" assume_isolated = 'mt'\\n\")\n f.write(\" ibrav = 0\\n\")\n f.write(\" nosym = .true.\\n\")\n f.write(\" noinv = .true.\\n\")\n f.write(\" noncolin = .false.\\n\")\n f.write(\" lspinorb = .false.\\n\")\n f.write(\"/\\n\\n\")\n\n # ELECTRONS\n f.write(\"&ELECTRONS\\n\")\n f.write(\" conv_thr = 1.0d-8\\n\")\n f.write(\" mixing_beta = 0.3\\n\")\n f.write(\" mixing_mode = 'local-TF'\\n\")\n f.write(\" electron_maxstep = 250\\n\")\n f.write(\"/\\n\\n\")\n \n # IONS\n # Use only when running calculation = relax, otherwise comment it out. Change damp to bfgs if the system is fairly stable.\n '''f.write(\"&IONS\\n\")\n f.write(\" ion_dynamics = 'bfgs'\\n\")\n f.write(\" trust_radius_ini = 0.01\\n\") # Lower for unstable systems\n f.write(\" trust_radius_max = 0.20\\n\") # Lower for unstable systems\n f.write(\" upscale = 0.5\\n\")\n f.write(\"/\\n\\n\")'''\n\n # ATOMIC_SPECIES\n f.write(\"ATOMIC_SPECIES\\n\")\n for el in species_ordered:\n mass = masses.get(el, 1.0)\n pseudo_filename = pseudo_map[el]\n f.write(f\"{el:>3} {mass:10.5f} {pseudo_filename}\\n\")\n \n # ATOMIC_POSITIONS\n f.write(\"\\nATOMIC_POSITIONS angstrom\\n\")\n for el, x, y, z in atoms:\n f.write(f\"{el:>3} {x} {y} {z}\\n\")\n \n # CELL PARAMETERS ANGSTROMS\n f.write(\"\\nCELL_PARAMETERS angstrom\\n\")\n f.write(\"20.0 0.0 0.0\\n\")\n f.write(\"0.0 20.0 0.0\\n\")\n f.write(\"0.0 0.0 20.0\\n\")\n\n # K_POINTS\n f.write(\"\\nK_POINTS automatic\\n\")\n f.write(\"1 1 1 0 0 0\\n\")\n\n # HUBBARD\n has_hubbard = any(el in hubbard_u for el in species_ordered)\n if has_hubbard:\n f.write(\"\\nHUBBARD ortho-atomic\\n\")\n for el in species_ordered:\n if el in hubbard_u:\n f.write(f\"U {el}-5f {hubbard_u[el]}\\n\")\n\n print(f\"QE input ready: {output}\")\n print(\"Pseudopotentials used:\")\n for el in species_ordered:\n print(f\" {el} -> {pseudo_map[el]}\")\n\nxyz_to_qe(\"/kaggle/input/datasets/pcsciprav/xtbopt-example/C4HF3N19O12.xyz\")","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Clones input.in to the supercell.in for running parallel finite displacement phonons.","metadata":{}},{"cell_type":"code","source":"import glob\n\n# 1. Read your baseline file and split it in half around the coordinates\nwith open('input.in', 'r') as f:\n baseline_lines = f.readlines()\n\npre_positions = []\npost_positions = []\nis_positions_block = False\npassed_positions = False\n\n# These keywords tell the script when the position block ends\nqe_keywords = ['&CONTROL', '&SYSTEM', '&ELECTRONS', '&IONS', '&CELL', \n 'K_POINTS', 'CELL_PARAMETERS', 'ATOMIC_SPECIES']\n\nfor line in baseline_lines:\n line_upper = line.strip().upper()\n \n if line_upper.startswith('ATOMIC_POSITIONS'):\n is_positions_block = True\n continue\n \n if is_positions_block:\n if any(line_upper.startswith(kw) for kw in qe_keywords):\n is_positions_block = False\n passed_positions = True\n post_positions.append(line)\n continue\n \n if not is_positions_block:\n if not passed_positions:\n pre_positions.append(line)\n else:\n post_positions.append(line)\n\n# 2. Extract the nudged coordinates from Phonopy's files\nfor target_file in glob.glob('supercell-*.in'):\n with open(target_file, 'r') as f:\n target_lines = f.readlines()\n \n new_positions = []\n in_target_pos = False\n \n for line in target_lines:\n line_upper = line.strip().upper()\n \n if line_upper.startswith('ATOMIC_POSITIONS'):\n in_target_pos = True\n new_positions.append(line)\n continue\n \n if in_target_pos:\n if any(line_upper.startswith(kw) for kw in qe_keywords):\n break\n if line.strip(): # Keep the coordinate lines\n new_positions.append(line)\n\n # 3. Sandwich the new coordinates inside your original baseline settings\n if new_positions:\n with open(target_file, 'w') as f:\n f.writelines(pre_positions)\n f.write(\"\\n\")\n f.writelines(new_positions)\n f.write(\"\\n\")\n f.writelines(post_positions)\n print(f\"Successfully applied baseline settings to: {target_file}\")\n else:\n print(f\"Skipped: Could not find coordinates in {target_file}\")","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy-init -d --qe --dim=\"1 1 1\" -c input.in","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!rm -rf supercell-*.in\n!rm -rf supercell.in","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy --qe -f supercell-[0-9][0-9][0-9].out","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!touch mesh.conf\nwith open(\"mesh.conf\", \"w\") as f:\n f.write(\"ATOM_NAME = C N F O H\\n\")\n f.write(\"DIM = 1 1 1\\n\")\n f.write(\"MESH = 1 1 1\\n\")\n f.write(\"FORCE_SETS = READ\\n\")\n\nprint(\"mesh.conf has been created successfully.\")","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy --qe -c input.in -p mesh.conf","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!cat mesh.yaml","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Used to create molecular dynamics setup. Can be extremely sensitive.","metadata":{}},{"cell_type":"code","source":"def xyz_to_qe(xyz_file, output=\"input.in\", mode='cp'):\n with open(xyz_file, \"r\", encoding=\"utf-8\") as f:\n lines = f.readlines()\n\n nat = int(lines[0].strip())\n coords = lines[2:2 + nat]\n atoms = []\n species_ordered = []\n\n for line in coords:\n parts = line.split()\n el, x, y, z = parts[:4]\n atoms.append((el, float(x)+10.0, float(y)+10.0, float(z)+10.0))\n if el not in species_ordered: species_ordered.append(el)\n\n pseudo_map = {el: download_pseudo(el) for el in species_ordered}\n\n with open(output, \"w\", encoding=\"ascii\", newline=\"\\n\") as f:\n # --- 1. CONTROL ---\n # Stripped to the absolute bare minimums\n f.write(\"&CONTROL\\n\")\n f.write(\" calculation = 'cp',\\n\")\n f.write(\" restart_mode = 'from_scratch',\\n\")\n f.write(\" prefix = 'tesseract',\\n\")\n f.write(\" pseudo_dir = './pseudo/',\\n\")\n f.write(\" outdir = './tmp/',\\n\")\n f.write(\" dt = 5.0,\\n\")\n f.write(\" nstep = 500,\\n\")\n f.write(\" ndr = 51,\\n\")\n f.write(\" ndw = 51\\n\") # Removed TQR\n f.write(\"/\\n\\n\")\n\n # --- 2. SYSTEM ---\n f.write(\"&SYSTEM\\n\")\n f.write(f\" ibrav = 0, nat = {nat}, ntyp = {len(species_ordered)},\\n\")\n f.write(\" ecutwfc = 65.0,\\n\")\n f.write(\" ecutrho = 260.0,\\n\")\n f.write(\" input_dft = 'PBE',\\n\")\n f.write(\" nosym = .true.\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 3. ELECTRONS ---\n f.write(\"&ELECTRONS\\n\")\n f.write(\" electron_dynamics = 'damp',\\n\")\n f.write(\" electron_damping = 0.1,\\n\")\n f.write(\" emass = 400.0,\\n\")\n f.write(\" emass_cutoff = 2.5\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 4. IONS ---\n f.write(\"&IONS\\n\")\n f.write(\" ion_dynamics = 'none'\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 5. ATOMIC DATA ---\n f.write(\"ATOMIC_SPECIES\\n\")\n for el in species_ordered:\n f.write(f\"{el:>3} {masses.get(el, 1.0):10.5f} {pseudo_map[el]}\\n\")\n\n f.write(\"\\nATOMIC_POSITIONS angstrom\\n\")\n for el, x, y, z in atoms:\n f.write(f\"{el:>3} {x:12.8f} {y:12.8f} {z:12.8f}\\n\")\n \n f.write(\"\\nCELL_PARAMETERS angstrom\\n\")\n f.write(\"20.0 0.0 0.0\\n0.0 20.0 0.0\\n0.0 0.0 20.0\\n\")\n\n print(f\"✅ Clean CP Input ready: {output}\")","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"NASA CEA Propellant checker","metadata":{}},{"cell_type":"code","source":"from rocketcea.cea_obj import CEA_Obj\nfrom rocketcea import cea_obj\n\n# 1. Define your custom monopropellant card\n# Format: 'ChemicalFormula', Enthalpy(kJ/mol), Density(g/cc, optional)\n# Swap C12H12N12O12F2 with your EXACT atom counts from your QE file.\n# Swap -500.0 with your calculated Heat of Formation in kJ/mol.\n\ncard_str = \"\"\"\nfuel MyCustomPropellant C 12 H 6 N 14 O 10 F 2 wt=100.0\nh,kj/mol=-500.0 t(k)=298.15\n\"\"\"\n\n# 2. Inject it into RocketCEA's internal dictionary\ncea_obj.add_new_fuel('MyCustomPropellant', card_str)\n\n# 3. Create the CEA Object\n# For a monopropellant, we name it as the fuel, and just pick a dummy oxidizer (like LOX)\n# because we will set the Mixture Ratio to 0.0 anyway.\nispObj = CEA_Obj(oxName=\"LOX\", fuelName=\"MyCustomPropellant\")\n\n# 4. Pull the juicy metrics\n# Pc = Chamber Pressure (psia) -> 1000.0 is industry standard for screening\n# eps = Nozzle Expansion Area Ratio -> 40.0 is standard for vacuum screening\n# MR = Mixture Ratio -> MUST BE 0.0 for a monopropellant (it burns itself)\nPc = 1000.0\neps = 40.0\nMR = 0.0\n\n# This single function pulls Vacuum Isp, C-Star (characteristic velocity), and Combustion Temp\nIspVac, Cstar, Tcomb = ispObj.get_IvacCstrTc(Pc=Pc, MR=MR, eps=eps)\n\n# Grab the average Molecular Weight and Gamma (ratio of specific heats) of the chamber exhaust gases\n_, _, _, mw_exhaust, gamma = ispObj.get_IvacCstrTc_ChmMwGam(Pc=Pc, MR=MR, eps=eps)\n\n# 5. Print the payload\nprint(\"=================== PROPELLANT PERFORMANCE ===================\")\nprint(f\"Vacuum Isp : {IspVac:.2f} seconds\")\nprint(f\"Combustion Temp (Tc) : {Tcomb:.2f} Rankine ({(Tcomb - 459.67) * 5/9 + 273.15:.2f} K)\")\nprint(f\"C-Star (Velocity) : {Cstar:.2f} ft/s\")\nprint(f\"Exhaust Mol Weight : {mw_exhaust:.2f} g/mol\")\nprint(f\"Chamber Gamma : {gamma:.4f}\")\nprint(\"==============================================================\")","metadata":{"trusted":true},"outputs":[],"execution_count":null}]} \ No newline at end of file +{"metadata":{"kernelspec":{"language":"python","display_name":"Python 3","name":"python3"},"language_info":{"name":"python","version":"3.12.12","mimetype":"text/x-python","codemirror_mode":{"name":"ipython","version":3},"pygments_lexer":"ipython3","nbconvert_exporter":"python","file_extension":".py"},"kaggle":{"accelerator":"nvidiaTeslaT4","dataSources":[{"sourceType":"datasetVersion","sourceId":15490887,"datasetId":9910679,"databundleVersionId":16415605},{"sourceType":"datasetVersion","sourceId":15809101,"datasetId":10133874,"databundleVersionId":16756907},{"sourceType":"datasetVersion","sourceId":15664603,"datasetId":10029968,"databundleVersionId":16601428},{"sourceType":"datasetVersion","sourceId":15664593,"datasetId":10029958,"databundleVersionId":16601418},{"sourceType":"datasetVersion","sourceId":15660946,"datasetId":10027068,"databundleVersionId":16597549},{"sourceType":"datasetVersion","sourceId":15564737,"datasetId":9957915,"databundleVersionId":16495191},{"sourceType":"datasetVersion","sourceId":15654163,"datasetId":10022101,"databundleVersionId":16590329},{"sourceType":"datasetVersion","sourceId":16493551,"datasetId":10129077,"databundleVersionId":17495327}],"dockerImageVersionId":31329,"isInternetEnabled":true,"language":"python","sourceType":"notebook","isGpuEnabled":true}},"nbformat_minor":4,"nbformat":4,"cells":[{"cell_type":"markdown","source":"# Quantum ESPRESSO installation guide on Python for P100 GPU","metadata":{}},{"cell_type":"markdown","source":"## 1. Install Dependencies","metadata":{}},{"cell_type":"code","source":"%%bash\napt-get update\napt-get install -y build-essential wget \\\n libfftw3-dev libblas-dev liblapack-dev \\\n libscalapack-mpi-dev libopenmpi-dev openmpi-bin\napt-get install -y libxc-dev libxc9\npip install phonopy\npip install numpy scipy pyyaml matplotlib\npip install ase cclib","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T07:42:00.653941Z","iopub.execute_input":"2026-07-30T07:42:00.654699Z","iopub.status.idle":"2026-07-30T07:42:35.646151Z","shell.execute_reply.started":"2026-07-30T07:42:00.654665Z","shell.execute_reply":"2026-07-30T07:42:35.645405Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Get:1 https://cloud.r-project.org/bin/linux/ubuntu jammy-cran40/ InRelease [3,632 B]\nGet:2 https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64 InRelease [1,581 B]\nGet:3 https://cli.github.com/packages stable InRelease [3,917 B]\nGet:4 http://security.ubuntu.com/ubuntu jammy-security InRelease [129 kB]\nGet:5 https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64 Packages [2,850 kB]\nGet:6 https://cloud.r-project.org/bin/linux/ubuntu jammy-cran40/ Packages [101 kB]\nGet:7 https://r2u.stat.illinois.edu/ubuntu jammy InRelease [6,555 B]\nHit:8 http://archive.ubuntu.com/ubuntu jammy InRelease\nGet:9 https://cli.github.com/packages stable/main amd64 Packages [355 B]\nGet:10 http://archive.ubuntu.com/ubuntu jammy-updates InRelease [128 kB]\nGet:11 https://r2u.stat.illinois.edu/ubuntu jammy/main amd64 Packages [3,141 kB]\nGet:12 https://ppa.launchpadcontent.net/deadsnakes/ppa/ubuntu jammy InRelease [18.1 kB]\nGet:13 http://security.ubuntu.com/ubuntu jammy-security/main amd64 Packages [4,151 kB]\nHit:14 https://ppa.launchpadcontent.net/graphics-drivers/ppa/ubuntu jammy InRelease\nGet:15 https://r2u.stat.illinois.edu/ubuntu jammy/main all Packages [10.6 MB]\nHit:16 https://ppa.launchpadcontent.net/ubuntugis/ppa/ubuntu jammy InRelease\nGet:17 http://archive.ubuntu.com/ubuntu jammy-backports InRelease [127 kB]\nGet:18 https://ppa.launchpadcontent.net/deadsnakes/ppa/ubuntu jammy/main amd64 Packages [43.4 kB]\nGet:19 http://security.ubuntu.com/ubuntu jammy-security/universe amd64 Packages [1,314 kB]\nGet:20 http://security.ubuntu.com/ubuntu jammy-security/restricted amd64 Packages [7,472 kB]\nGet:21 http://security.ubuntu.com/ubuntu jammy-security/multiverse amd64 Packages [84.1 kB]\nGet:22 http://archive.ubuntu.com/ubuntu jammy-updates/main amd64 Packages [4,484 kB]\nGet:23 http://archive.ubuntu.com/ubuntu jammy-updates/multiverse amd64 Packages [92.7 kB]\nGet:24 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 Packages [1,616 kB]\nGet:25 http://archive.ubuntu.com/ubuntu jammy-updates/restricted amd64 Packages [7,763 kB]\nGet:26 http://archive.ubuntu.com/ubuntu jammy-backports/main amd64 Packages [82.8 kB]\nGet:27 http://archive.ubuntu.com/ubuntu jammy-backports/universe amd64 Packages [35.6 kB]\nFetched 44.3 MB in 3s (13.9 MB/s)\nReading package lists...\nReading package lists...\nBuilding dependency tree...\nReading state information...\nbuild-essential is already the newest version (12.9ubuntu3).\nliblapack-dev is already the newest version (3.10.0-2ubuntu1).\nlibopenmpi-dev is already the newest version (4.1.2-2ubuntu1).\nlibopenmpi-dev set to manually installed.\nlibscalapack-mpi-dev is already the newest version (2.1.0-4).\nlibscalapack-mpi-dev set to manually installed.\nopenmpi-bin is already the newest version (4.1.2-2ubuntu1).\nopenmpi-bin set to manually installed.\nThe following additional packages will be installed:\n libfftw3-bin libfftw3-long3 libfftw3-quad3 libfftw3-single3\nSuggested packages:\n liblapack-doc libfftw3-doc\nThe following NEW packages will be installed:\n libblas-dev libfftw3-bin libfftw3-dev libfftw3-long3 libfftw3-quad3\n libfftw3-single3\nThe following packages will be upgraded:\n wget\n1 upgraded, 6 newly installed, 0 to remove and 299 not upgraded.\nNeed to get 4,387 kB of archives.\nAfter this operation, 23.5 MB of additional disk space will be used.\nGet:1 http://archive.ubuntu.com/ubuntu jammy-updates/main amd64 wget amd64 1.21.2-2ubuntu1.4 [339 kB]\nGet:2 http://archive.ubuntu.com/ubuntu jammy/main amd64 libblas-dev amd64 3.10.0-2ubuntu1 [164 kB]\nGet:3 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-long3 amd64 3.3.8-2ubuntu8 [335 kB]\nGet:4 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-quad3 amd64 3.3.8-2ubuntu8 [614 kB]\nGet:5 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-single3 amd64 3.3.8-2ubuntu8 [800 kB]\nGet:6 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-bin amd64 3.3.8-2ubuntu8 [35.5 kB]\nGet:7 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-dev amd64 3.3.8-2ubuntu8 [2,101 kB]\nFetched 4,387 kB in 1s (5,366 kB/s)\n(Reading database ... 124626 files and directories currently installed.)\nPreparing to unpack .../0-wget_1.21.2-2ubuntu1.4_amd64.deb ...\nUnpacking wget (1.21.2-2ubuntu1.4) over (1.21.2-2ubuntu1.1) ...\nSelecting previously unselected package libblas-dev:amd64.\nPreparing to unpack .../1-libblas-dev_3.10.0-2ubuntu1_amd64.deb ...\nUnpacking libblas-dev:amd64 (3.10.0-2ubuntu1) ...\nSelecting previously unselected package libfftw3-long3:amd64.\nPreparing to unpack .../2-libfftw3-long3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-long3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-quad3:amd64.\nPreparing to unpack .../3-libfftw3-quad3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-quad3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-single3:amd64.\nPreparing to unpack .../4-libfftw3-single3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-single3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-bin.\nPreparing to unpack .../5-libfftw3-bin_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-bin (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-dev:amd64.\nPreparing to unpack .../6-libfftw3-dev_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-dev:amd64 (3.3.8-2ubuntu8) ...\nSetting up libfftw3-single3:amd64 (3.3.8-2ubuntu8) ...\nSetting up wget (1.21.2-2ubuntu1.4) ...\nSetting up libfftw3-long3:amd64 (3.3.8-2ubuntu8) ...\nSetting up libfftw3-quad3:amd64 (3.3.8-2ubuntu8) ...\nSetting up libblas-dev:amd64 (3.10.0-2ubuntu1) ...\nSetting up libfftw3-bin (3.3.8-2ubuntu8) ...\nSetting up libfftw3-dev:amd64 (3.3.8-2ubuntu8) ...\nProcessing triggers for man-db (2.10.2-1) ...\nProcessing triggers for libc-bin (2.35-0ubuntu3.8) ...\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_5.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero_v2.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_0.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_loader.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbb.so.12 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libumf.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm_debug.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_opencl.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc_proxy.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libhwloc.so.15 is not a symbolic link\n\nReading package lists...\nBuilding dependency tree...\nReading state information...\nThe following NEW packages will be installed:\n libxc-dev libxc9\n0 upgraded, 2 newly installed, 0 to remove and 299 not upgraded.\nNeed to get 11.9 MB of archives.\nAfter this operation, 41.2 MB of additional disk space will be used.\nGet:1 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libxc9 amd64 5.1.7-1ubuntu1 [3,900 kB]\nGet:2 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libxc-dev amd64 5.1.7-1ubuntu1 [8,038 kB]\nFetched 11.9 MB in 1s (12.2 MB/s)\nSelecting previously unselected package libxc9:amd64.\n(Reading database ... 124727 files and directories currently installed.)\nPreparing to unpack .../libxc9_5.1.7-1ubuntu1_amd64.deb ...\nUnpacking libxc9:amd64 (5.1.7-1ubuntu1) ...\nSelecting previously unselected package libxc-dev.\nPreparing to unpack .../libxc-dev_5.1.7-1ubuntu1_amd64.deb ...\nUnpacking libxc-dev (5.1.7-1ubuntu1) ...\nSetting up libxc9:amd64 (5.1.7-1ubuntu1) ...\nSetting up libxc-dev (5.1.7-1ubuntu1) ...\nProcessing triggers for libc-bin (2.35-0ubuntu3.8) ...\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_5.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero_v2.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_0.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_loader.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbb.so.12 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libumf.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm_debug.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_opencl.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc_proxy.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libhwloc.so.15 is not a symbolic link\n\nCollecting phonopy\n Downloading phonopy-4.4.0-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl.metadata (3.7 kB)\nRequirement already satisfied: numpy>=1.17.0 in /usr/local/lib/python3.12/dist-packages (from phonopy) (2.0.2)\nRequirement already satisfied: PyYAML>=5.3 in /usr/local/lib/python3.12/dist-packages (from phonopy) (6.0.3)\nRequirement already satisfied: matplotlib>=2.2.2 in /usr/local/lib/python3.12/dist-packages (from phonopy) (3.10.0)\nRequirement already satisfied: h5py>=3.0 in /usr/local/lib/python3.12/dist-packages (from phonopy) (3.15.1)\nCollecting spglib>=2.5 (from phonopy)\n Downloading spglib-2.7.0-cp312-cp312-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl.metadata (4.2 kB)\nCollecting symfc>=1.7 (from phonopy)\n Downloading symfc-1.7.3-py3-none-any.whl.metadata (2.1 kB)\nCollecting phonors>=0.3.0 (from phonopy)\n Downloading phonors-0.3.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (2.6 kB)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (1.4.9)\nRequirement already satisfied: packaging>=20.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (26.0)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (2.9.0.post0)\nRequirement already satisfied: typing-extensions>=4.9.0 in /usr/local/lib/python3.12/dist-packages (from spglib>=2.5->phonopy) (4.15.0)\nRequirement already satisfied: scipy!=1.11.0,!=1.11.1,!=1.11.2,!=1.17.0 in /usr/local/lib/python3.12/dist-packages (from symfc>=1.7->phonopy) (1.16.3)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib>=2.2.2->phonopy) (1.17.0)\nDownloading phonopy-4.4.0-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl (851 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 851.0/851.0 kB 20.9 MB/s eta 0:00:00\nDownloading phonors-0.3.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.5 MB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.5/1.5 MB 62.0 MB/s eta 0:00:00\nDownloading spglib-2.7.0-cp312-cp312-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl (962 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 962.5/962.5 kB 62.7 MB/s eta 0:00:00\nDownloading symfc-1.7.3-py3-none-any.whl (114 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 114.9/114.9 kB 10.9 MB/s eta 0:00:00\nInstalling collected packages: spglib, phonors, symfc, phonopy\nSuccessfully installed phonopy-4.4.0 phonors-0.3.0 spglib-2.7.0 symfc-1.7.3\nRequirement already satisfied: numpy in /usr/local/lib/python3.12/dist-packages (2.0.2)\nRequirement already satisfied: scipy in /usr/local/lib/python3.12/dist-packages (1.16.3)\nRequirement already satisfied: pyyaml in /usr/local/lib/python3.12/dist-packages (6.0.3)\nRequirement already satisfied: matplotlib in /usr/local/lib/python3.12/dist-packages (3.10.0)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (1.4.9)\nRequirement already satisfied: packaging>=20.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (26.0)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (2.9.0.post0)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib) (1.17.0)\nCollecting ase\n Downloading ase-3.29.0-py3-none-any.whl.metadata (4.4 kB)\nCollecting cclib\n Downloading cclib-1.8.1-py3-none-any.whl.metadata (4.7 kB)\nRequirement already satisfied: numpy>=1.21.6 in /usr/local/lib/python3.12/dist-packages (from ase) (2.0.2)\nRequirement already satisfied: scipy>=1.8.1 in /usr/local/lib/python3.12/dist-packages (from ase) (1.16.3)\nRequirement already satisfied: matplotlib>=3.5.2 in /usr/local/lib/python3.12/dist-packages (from ase) (3.10.0)\nRequirement already satisfied: typing_extensions>=4.13.1 in /usr/local/lib/python3.12/dist-packages (from ase) (4.15.0)\nRequirement already satisfied: packaging>=19.0 in /usr/local/lib/python3.12/dist-packages (from cclib) (26.0)\nCollecting periodictable (from cclib)\n Downloading periodictable-2.1.0-py3-none-any.whl.metadata (5.2 kB)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (1.4.9)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (2.9.0.post0)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib>=3.5.2->ase) (1.17.0)\nDownloading ase-3.29.0-py3-none-any.whl (3.0 MB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 3.0/3.0 MB 52.7 MB/s eta 0:00:00\nDownloading cclib-1.8.1-py3-none-any.whl (353 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 353.6/353.6 kB 27.8 MB/s eta 0:00:00\nDownloading periodictable-2.1.0-py3-none-any.whl (830 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 830.7/830.7 kB 49.5 MB/s eta 0:00:00\nInstalling collected packages: periodictable, cclib, ase\nSuccessfully installed ase-3.29.0 cclib-1.8.1 periodictable-2.1.0\n","output_type":"stream"},{"name":"stderr","text":"W: Skipping acquire of configured file 'main/source/Sources' as repository 'https://r2u.stat.illinois.edu/ubuntu jammy InRelease' does not seem to provide it (sources.list entry misspelt?)\n","output_type":"stream"}],"execution_count":1},{"cell_type":"markdown","source":"## 2. Download Quantum ESPRESSO and NVFORTRAN/NVHPC SDK","metadata":{}},{"cell_type":"markdown","source":"Will take ~15-17 GiB of output space, ensure there is enough storage","metadata":{}},{"cell_type":"code","source":"!cd \n!wget https://github.com/QEF/q-e/archive/refs/tags/qe-7.5.tar.gz\n!tar -xvf qe-7.5.tar.gz\n!rm -rf /kaggle/working/qe-7.5.tar.gz\n%cd q-e-qe-7.5","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T07:42:41.836965Z","iopub.execute_input":"2026-07-30T07:42:41.837669Z","iopub.status.idle":"2026-07-30T07:42:52.076993Z","shell.execute_reply.started":"2026-07-30T07:42:41.837639Z","shell.execute_reply":"2026-07-30T07:42:52.076060Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"--2026-07-30 07:42:41-- https://github.com/QEF/q-e/archive/refs/tags/qe-7.5.tar.gz\nResolving github.com (github.com)... 140.82.116.4\nConnecting to github.com (github.com)|140.82.116.4|:443... connected.\nHTTP request sent, awaiting response... 302 Found\nLocation: https://codeload.github.com/QEF/q-e/tar.gz/refs/tags/qe-7.5 [following]\n--2026-07-30 07:42:42-- https://codeload.github.com/QEF/q-e/tar.gz/refs/tags/qe-7.5\nResolving codeload.github.com (codeload.github.com)... 140.82.116.9\nConnecting to codeload.github.com (codeload.github.com)|140.82.116.9|:443... connected.\nHTTP request sent, awaiting response... 200 OK\nLength: unspecified [application/x-gzip]\nSaving to: ‘qe-7.5.tar.gz’\n\nqe-7.5.tar.gz [ <=> ] 69.12M 9.27MB/s in 7.4s \n\n2026-07-30 07:42:49 (9.36 MB/s) - ‘qe-7.5.tar.gz’ saved [72479566]\n\nq-e-qe-7.5/\nq-e-qe-7.5/.ci/\nq-e-qe-7.5/.ci/cineca.yml\nq-e-qe-7.5/.cmake-format\nq-e-qe-7.5/.editorconfig\nq-e-qe-7.5/.github/\nq-e-qe-7.5/.github/pull_request_template.md\nq-e-qe-7.5/.gitignore\nq-e-qe-7.5/.gitlab-ci-main.yml\nq-e-qe-7.5/.gitlab-ci.yml\nq-e-qe-7.5/.gitmodules\nq-e-qe-7.5/.travis.yml\nq-e-qe-7.5/CMakeLists.txt\nq-e-qe-7.5/CONTRIBUTING.md\nq-e-qe-7.5/COUPLE/\nq-e-qe-7.5/COUPLE/CMakeLists.txt\nq-e-qe-7.5/COUPLE/Makefile\nq-e-qe-7.5/COUPLE/README\nq-e-qe-7.5/COUPLE/examples/\nq-e-qe-7.5/COUPLE/examples/Makefile.gfortran\nq-e-qe-7.5/COUPLE/examples/Makefile.ifort\nq-e-qe-7.5/COUPLE/examples/README\nq-e-qe-7.5/COUPLE/examples/c2cp.cpp\nq-e-qe-7.5/COUPLE/examples/c2pw.cpp\nq-e-qe-7.5/COUPLE/examples/f2cp.f90\nq-e-qe-7.5/COUPLE/examples/f2pw.f90\nq-e-qe-7.5/COUPLE/include/\nq-e-qe-7.5/COUPLE/include/libqecouple.h\nq-e-qe-7.5/COUPLE/src/\nq-e-qe-7.5/COUPLE/src/Makefile\nq-e-qe-7.5/COUPLE/src/libcpv.f90\nq-e-qe-7.5/COUPLE/src/libpwscf.f90\nq-e-qe-7.5/COUPLE/src/libqemod.f90\nq-e-qe-7.5/COUPLE/tests/\nq-e-qe-7.5/COUPLE/tests/check-couple.j\nq-e-qe-7.5/COUPLE/tests/clean_all\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.c-0.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.c-16.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.c-2.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.c-4.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.f-0.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.f-16.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.f-2.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.f-4.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.in\nq-e-qe-7.5/COUPLE/tests/metal.pw.c-0.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.c-16.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.c-2.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.c-4.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.f-0.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.f-16.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.f-2.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.f-4.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.in\nq-e-qe-7.5/COUPLE/tests/scf.pw.c-0.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.c-16.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.c-2.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.c-4.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.f-0.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.f-16.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.f-2.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.f-4.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.in\nq-e-qe-7.5/CPV/\nq-e-qe-7.5/CPV/CMakeLists.txt\nq-e-qe-7.5/CPV/Doc/\nq-e-qe-7.5/CPV/Doc/INPUT_CP.def\nq-e-qe-7.5/CPV/Doc/INPUT_CP.html\nq-e-qe-7.5/CPV/Doc/INPUT_CP.txt\nq-e-qe-7.5/CPV/Doc/INPUT_CPPP.def\nq-e-qe-7.5/CPV/Doc/INPUT_CPPP.html\nq-e-qe-7.5/CPV/Doc/INPUT_CPPP.txt\nq-e-qe-7.5/CPV/Doc/INPUT_WFDD\nq-e-qe-7.5/CPV/Doc/Makefile\nq-e-qe-7.5/CPV/Doc/autopilot_guide.md\nq-e-qe-7.5/CPV/Doc/pandoc_template.html\nq-e-qe-7.5/CPV/Doc/pandoc_template.tex\nq-e-qe-7.5/CPV/Doc/tp.tex\nq-e-qe-7.5/CPV/Doc/user_guide.md\nq-e-qe-7.5/CPV/Ford.md\nq-e-qe-7.5/CPV/Ford/\nq-e-qe-7.5/CPV/Ford/index.md\nq-e-qe-7.5/CPV/Makefile\nq-e-qe-7.5/CPV/examples/\nq-e-qe-7.5/CPV/examples/EXX-wf-example/\nq-e-qe-7.5/CPV/examples/EXX-wf-example/01.input\nq-e-qe-7.5/CPV/examples/EXX-wf-example/01.out\nq-e-qe-7.5/CPV/examples/EXX-wf-example/02.input\nq-e-qe-7.5/CPV/examples/EXX-wf-example/02.out\nq-e-qe-7.5/CPV/examples/EXX-wf-example/H_HSCV_PBE-1.0.UPF\nq-e-qe-7.5/CPV/examples/EXX-wf-example/O_HSCV_PBE-1.0.UPF\nq-e-qe-7.5/CPV/examples/EXX-wf-example/README-Parallelization\nq-e-qe-7.5/CPV/examples/EXX-wf-example/README-example\nq-e-qe-7.5/CPV/examples/EXX-wf-example/example-job-script\nq-e-qe-7.5/CPV/examples/Extffield_example/\nq-e-qe-7.5/CPV/examples/Extffield_example/README\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/SiH4.extffield\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/SiH4.inp1\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/SiH4.inp2\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/SiH4.out1\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/SiH4.out2\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/extffield.dat\nq-e-qe-7.5/CPV/examples/Extffield_example/run_example\nq-e-qe-7.5/CPV/examples/README\nq-e-qe-7.5/CPV/examples/Restart_example/\nq-e-qe-7.5/CPV/examples/Restart_example/README\nq-e-qe-7.5/CPV/examples/Restart_example/reference/\nq-e-qe-7.5/CPV/examples/Restart_example/reference/sio2.cp.restart.out\nq-e-qe-7.5/CPV/examples/Restart_example/reference/sio2.cp.start.out\nq-e-qe-7.5/CPV/examples/Restart_example/reference/sio2.pw.restart.out\nq-e-qe-7.5/CPV/examples/Restart_example/run_example\nq-e-qe-7.5/CPV/examples/autopilot-example/\nq-e-qe-7.5/CPV/examples/autopilot-example/reference/\nq-e-qe-7.5/CPV/examples/autopilot-example/reference/water.autopilot.out\nq-e-qe-7.5/CPV/examples/autopilot-example/run_example_water\nq-e-qe-7.5/CPV/examples/example01/\nq-e-qe-7.5/CPV/examples/example01/README\nq-e-qe-7.5/CPV/examples/example01/reference/\nq-e-qe-7.5/CPV/examples/example01/reference/sio2.cp.restart.out\nq-e-qe-7.5/CPV/examples/example01/reference/sio2.cp.start.out\nq-e-qe-7.5/CPV/examples/example01/reference/sio2.vc-cp.out\nq-e-qe-7.5/CPV/examples/example01/reference/sio2.vc-cp.restart.out\nq-e-qe-7.5/CPV/examples/example01/run_example\nq-e-qe-7.5/CPV/examples/example02/\nq-e-qe-7.5/CPV/examples/example02/README\nq-e-qe-7.5/CPV/examples/example02/reference/\nq-e-qe-7.5/CPV/examples/example02/reference/h2o-mol1.out\nq-e-qe-7.5/CPV/examples/example02/reference/h2o-mol2.out\nq-e-qe-7.5/CPV/examples/example02/reference/h2o-mol3.out\nq-e-qe-7.5/CPV/examples/example02/run_example\nq-e-qe-7.5/CPV/examples/example03/\nq-e-qe-7.5/CPV/examples/example03/README\nq-e-qe-7.5/CPV/examples/example03/reference/\nq-e-qe-7.5/CPV/examples/example03/reference/nh3.out\nq-e-qe-7.5/CPV/examples/example03/run_example\nq-e-qe-7.5/CPV/examples/example04/\nq-e-qe-7.5/CPV/examples/example04/README\nq-e-qe-7.5/CPV/examples/example04/reference/\nq-e-qe-7.5/CPV/examples/example04/reference/h2o-32.out\nq-e-qe-7.5/CPV/examples/example04/reference/h2o-64.out\nq-e-qe-7.5/CPV/examples/example04/run_example\nq-e-qe-7.5/CPV/examples/example05/\nq-e-qe-7.5/CPV/examples/example05/README\nq-e-qe-7.5/CPV/examples/example05/reference/\nq-e-qe-7.5/CPV/examples/example05/reference/h2o.efield.out\nq-e-qe-7.5/CPV/examples/example05/reference/h2o.wannier.out\nq-e-qe-7.5/CPV/examples/example05/run_example\nq-e-qe-7.5/CPV/examples/example06/\nq-e-qe-7.5/CPV/examples/example06/README\nq-e-qe-7.5/CPV/examples/example06/reference/\nq-e-qe-7.5/CPV/examples/example06/reference/h2o.scf.out\nq-e-qe-7.5/CPV/examples/example06/reference/h2o.wannier.out\nq-e-qe-7.5/CPV/examples/example06/run_example\nq-e-qe-7.5/CPV/examples/example07/\nq-e-qe-7.5/CPV/examples/example07/README\nq-e-qe-7.5/CPV/examples/example07/reference/\nq-e-qe-7.5/CPV/examples/example07/reference/c4h6.cp.metaGGA.out\nq-e-qe-7.5/CPV/examples/example07/reference/c4h6.pw.metaGGA.out\nq-e-qe-7.5/CPV/examples/example07/run_example\nq-e-qe-7.5/CPV/examples/example08/\nq-e-qe-7.5/CPV/examples/example08/README\nq-e-qe-7.5/CPV/examples/example08/reference/\nq-e-qe-7.5/CPV/examples/example08/reference/si2.ensemble-dyn.out\nq-e-qe-7.5/CPV/examples/example08/run_example\nq-e-qe-7.5/CPV/examples/example09/\nq-e-qe-7.5/CPV/examples/example09/README\nq-e-qe-7.5/CPV/examples/example09/reference/\nq-e-qe-7.5/CPV/examples/example09/reference/mgo.cp.cg.efield.out\nq-e-qe-7.5/CPV/examples/example09/reference/mgo.cp.cg.out\nq-e-qe-7.5/CPV/examples/example09/reference/mgo.cp.damp.efield.out\nq-e-qe-7.5/CPV/examples/example09/run_example\nq-e-qe-7.5/CPV/src/\nq-e-qe-7.5/CPV/src/Makefile\nq-e-qe-7.5/CPV/src/berryion.f90\nq-e-qe-7.5/CPV/src/bforceion.f90\nq-e-qe-7.5/CPV/src/cg.f90\nq-e-qe-7.5/CPV/src/cg_sub.f90\nq-e-qe-7.5/CPV/src/chargedensity.f90\nq-e-qe-7.5/CPV/src/cp_autopilot.f90\nq-e-qe-7.5/CPV/src/cp_emass.f90\nq-e-qe-7.5/CPV/src/cp_interfaces.f90\nq-e-qe-7.5/CPV/src/cp_restart_new.f90\nq-e-qe-7.5/CPV/src/cp_wavefunctions.f90\nq-e-qe-7.5/CPV/src/cplib.f90\nq-e-qe-7.5/CPV/src/cplib_meta.f90\nq-e-qe-7.5/CPV/src/cppp.f90\nq-e-qe-7.5/CPV/src/cpr.f90\nq-e-qe-7.5/CPV/src/cpr_loop.f90\nq-e-qe-7.5/CPV/src/cpr_mod.f90\nq-e-qe-7.5/CPV/src/cprstart.f90\nq-e-qe-7.5/CPV/src/dealloc.f90\nq-e-qe-7.5/CPV/src/dforceb.f90\nq-e-qe-7.5/CPV/src/efermi.f90\nq-e-qe-7.5/CPV/src/efield.f90\nq-e-qe-7.5/CPV/src/eigs0.f90\nq-e-qe-7.5/CPV/src/electrons.f90\nq-e-qe-7.5/CPV/src/electrons_nose.f90\nq-e-qe-7.5/CPV/src/energies.f90\nq-e-qe-7.5/CPV/src/ensemble_dft.f90\nq-e-qe-7.5/CPV/src/entropy.f90\nq-e-qe-7.5/CPV/src/environ_cp_module.f90\nq-e-qe-7.5/CPV/src/exch_corr.f90\nq-e-qe-7.5/CPV/src/exx_cg.f90\nq-e-qe-7.5/CPV/src/exx_es.f90\nq-e-qe-7.5/CPV/src/exx_gs.f90\nq-e-qe-7.5/CPV/src/exx_module.f90\nq-e-qe-7.5/CPV/src/exx_pair.f90\nq-e-qe-7.5/CPV/src/exx_psi.f90\nq-e-qe-7.5/CPV/src/exx_vofr.f90\nq-e-qe-7.5/CPV/src/forces.f90\nq-e-qe-7.5/CPV/src/fromscra.f90\nq-e-qe-7.5/CPV/src/gram.f90\nq-e-qe-7.5/CPV/src/gtable.f90\nq-e-qe-7.5/CPV/src/init.f90\nq-e-qe-7.5/CPV/src/init_run.f90\nq-e-qe-7.5/CPV/src/inner_loop_cold.f90\nq-e-qe-7.5/CPV/src/input.f90\nq-e-qe-7.5/CPV/src/ions_positions.f90\nq-e-qe-7.5/CPV/src/ksstates.f90\nq-e-qe-7.5/CPV/src/ldaU.f90\nq-e-qe-7.5/CPV/src/ldaU_cp.f90\nq-e-qe-7.5/CPV/src/ldaUpen.f90\nq-e-qe-7.5/CPV/src/mainvar.f90\nq-e-qe-7.5/CPV/src/manycp.f90\nq-e-qe-7.5/CPV/src/metaxc.f90\nq-e-qe-7.5/CPV/src/modules.f90\nq-e-qe-7.5/CPV/src/move_electrons.f90\nq-e-qe-7.5/CPV/src/newd.f90\nq-e-qe-7.5/CPV/src/nl_base.f90\nq-e-qe-7.5/CPV/src/nlcc.f90\nq-e-qe-7.5/CPV/src/ortho.f90\nq-e-qe-7.5/CPV/src/ortho_base.f90\nq-e-qe-7.5/CPV/src/phasefactor.f90\nq-e-qe-7.5/CPV/src/plugin_add_potential.f90\nq-e-qe-7.5/CPV/src/plugin_clean.f90\nq-e-qe-7.5/CPV/src/plugin_clock.f90\nq-e-qe-7.5/CPV/src/plugin_energy.f90\nq-e-qe-7.5/CPV/src/plugin_ext_forces.f90\nq-e-qe-7.5/CPV/src/plugin_get_potential.f90\nq-e-qe-7.5/CPV/src/plugin_init_base.f90\nq-e-qe-7.5/CPV/src/plugin_init_cell.f90\nq-e-qe-7.5/CPV/src/plugin_init_ions.f90\nq-e-qe-7.5/CPV/src/plugin_initialization.f90\nq-e-qe-7.5/CPV/src/plugin_int_forces.f90\nq-e-qe-7.5/CPV/src/plugin_print_energies.f90\nq-e-qe-7.5/CPV/src/plugin_print_info.f90\nq-e-qe-7.5/CPV/src/plugin_read_input.f90\nq-e-qe-7.5/CPV/src/plugin_utilities.f90\nq-e-qe-7.5/CPV/src/potentials.f90\nq-e-qe-7.5/CPV/src/pres_ai_mod.f90\nq-e-qe-7.5/CPV/src/print_out.f90\nq-e-qe-7.5/CPV/src/problem_size.f90\nq-e-qe-7.5/CPV/src/pseudo_base.f90\nq-e-qe-7.5/CPV/src/pseudopot.f90\nq-e-qe-7.5/CPV/src/pseudopot_sub.f90\nq-e-qe-7.5/CPV/src/qmatrixd.f90\nq-e-qe-7.5/CPV/src/qqberry.f90\nq-e-qe-7.5/CPV/src/restart.f90\nq-e-qe-7.5/CPV/src/restart_sub.f90\nq-e-qe-7.5/CPV/src/runcp.f90\nq-e-qe-7.5/CPV/src/sic.f90\nq-e-qe-7.5/CPV/src/smallbox.f90\nq-e-qe-7.5/CPV/src/smallbox_grid.f90\nq-e-qe-7.5/CPV/src/smallbox_gvec.f90\nq-e-qe-7.5/CPV/src/smallbox_lib.f90\nq-e-qe-7.5/CPV/src/smallbox_subs.f90\nq-e-qe-7.5/CPV/src/spinsq.f90\nq-e-qe-7.5/CPV/src/spline.f90\nq-e-qe-7.5/CPV/src/stop_run.f90\nq-e-qe-7.5/CPV/src/stress.f90\nq-e-qe-7.5/CPV/src/vofrho.f90\nq-e-qe-7.5/CPV/src/vol_clu.f90\nq-e-qe-7.5/CPV/src/wannier.f90\nq-e-qe-7.5/CPV/src/wannier_base.f90\nq-e-qe-7.5/CPV/src/wave.f90\nq-e-qe-7.5/CPV/src/wave_base.f90\nq-e-qe-7.5/CPV/src/wave_types.f90\nq-e-qe-7.5/CPV/src/wf.f90\nq-e-qe-7.5/CPV/src/wfdd.f90\nq-e-qe-7.5/Doc/\nq-e-qe-7.5/Doc/CMakeLists.txt\nq-e-qe-7.5/Doc/ChangeLog.cp\nq-e-qe-7.5/Doc/ChangeLog.old\nq-e-qe-7.5/Doc/ChangeLog.pw\nq-e-qe-7.5/Doc/ExternalForceFields.tex\nq-e-qe-7.5/Doc/Hubbard_input.tex\nq-e-qe-7.5/Doc/Makefile\nq-e-qe-7.5/Doc/README\nq-e-qe-7.5/Doc/brillouin_zones.tex\nq-e-qe-7.5/Doc/constraints_HOWTO.tex\nq-e-qe-7.5/Doc/html.sty\nq-e-qe-7.5/Doc/images/\nq-e-qe-7.5/Doc/images/bcc_bi.png\nq-e-qe-7.5/Doc/images/bco_1.png\nq-e-qe-7.5/Doc/images/bco_2.png\nq-e-qe-7.5/Doc/images/bco_3.png\nq-e-qe-7.5/Doc/images/bco_4.png\nq-e-qe-7.5/Doc/images/bco_5.png\nq-e-qe-7.5/Doc/images/bco_6.png\nq-e-qe-7.5/Doc/images/cubic_bi.png\nq-e-qe-7.5/Doc/images/fcc_bi.png\nq-e-qe-7.5/Doc/images/fcc_sc.png\nq-e-qe-7.5/Doc/images/hex.png\nq-e-qe-7.5/Doc/images/monob.png\nq-e-qe-7.5/Doc/images/monoc.png\nq-e-qe-7.5/Doc/images/ofc_1.png\nq-e-qe-7.5/Doc/images/ofc_10.png\nq-e-qe-7.5/Doc/images/ofc_11.png\nq-e-qe-7.5/Doc/images/ofc_12.png\nq-e-qe-7.5/Doc/images/ofc_13.png\nq-e-qe-7.5/Doc/images/ofc_14.png\nq-e-qe-7.5/Doc/images/ofc_15.png\nq-e-qe-7.5/Doc/images/ofc_16.png\nq-e-qe-7.5/Doc/images/ofc_17.png\nq-e-qe-7.5/Doc/images/ofc_18.png\nq-e-qe-7.5/Doc/images/ofc_2.png\nq-e-qe-7.5/Doc/images/ofc_3.png\nq-e-qe-7.5/Doc/images/ofc_4.png\nq-e-qe-7.5/Doc/images/ofc_5.png\nq-e-qe-7.5/Doc/images/ofc_6.png\nq-e-qe-7.5/Doc/images/ofc_7.png\nq-e-qe-7.5/Doc/images/ofc_8.png\nq-e-qe-7.5/Doc/images/ofc_9.png\nq-e-qe-7.5/Doc/images/ofco_1.png\nq-e-qe-7.5/Doc/images/ofco_2.png\nq-e-qe-7.5/Doc/images/so.png\nq-e-qe-7.5/Doc/images/st.png\nq-e-qe-7.5/Doc/images/stc1.png\nq-e-qe-7.5/Doc/images/stc2.png\nq-e-qe-7.5/Doc/images/stc2_sc.png\nq-e-qe-7.5/Doc/images/tri_1.png\nq-e-qe-7.5/Doc/images/tri_2.png\nq-e-qe-7.5/Doc/pic/\nq-e-qe-7.5/Doc/pic/hh_fes.pdf\nq-e-qe-7.5/Doc/pic/sn2_fes.pdf\nq-e-qe-7.5/Doc/pic/sn2_reaction.pdf\nq-e-qe-7.5/Doc/pic/sn2cv.pdf\nq-e-qe-7.5/Doc/pic/sn2cvs.pdf\nq-e-qe-7.5/Doc/plumed_quick_ref.tex\nq-e-qe-7.5/Doc/quantum_espresso.png\nq-e-qe-7.5/Doc/quote.tex\nq-e-qe-7.5/Doc/release-notes\nq-e-qe-7.5/Doc/user_guide.tex\nq-e-qe-7.5/EPW/\nq-e-qe-7.5/EPW/.dependencies\nq-e-qe-7.5/EPW/CMakeLists.txt\nq-e-qe-7.5/EPW/License\nq-e-qe-7.5/EPW/Makefile\nq-e-qe-7.5/EPW/README\nq-e-qe-7.5/EPW/ZG/\nq-e-qe-7.5/EPW/ZG/README\nq-e-qe-7.5/EPW/ZG/src/\nq-e-qe-7.5/EPW/ZG/src/Makefile\nq-e-qe-7.5/EPW/ZG/src/ZG.f90\nq-e-qe-7.5/EPW/ZG/src/bands_unfold.f90\nq-e-qe-7.5/EPW/ZG/src/disca.f90\nq-e-qe-7.5/EPW/ZG/src/epsilon_Gaus.f90\nq-e-qe-7.5/EPW/ZG/src/local/\nq-e-qe-7.5/EPW/ZG/src/local/JDOS.sh\nq-e-qe-7.5/EPW/ZG/src/local/JDOS_Gaus.f90\nq-e-qe-7.5/EPW/ZG/src/local/commands_bands.sh\nq-e-qe-7.5/EPW/ZG/src/local/compile_gfortran.sh\nq-e-qe-7.5/EPW/ZG/src/local/compile_ifort.sh\nq-e-qe-7.5/EPW/ZG/src/local/create_qlist.f90\nq-e-qe-7.5/EPW/ZG/src/local/epsi_av.sh\nq-e-qe-7.5/EPW/ZG/src/local/kpoints_band_str_unfold.f90\nq-e-qe-7.5/EPW/ZG/src/local/merge_bands.sh\nq-e-qe-7.5/EPW/ZG/src/local/merge_files.sh\nq-e-qe-7.5/EPW/ZG/src/local/rotate.f90\nq-e-qe-7.5/EPW/ZG/src/pp_disca.f90\nq-e-qe-7.5/EPW/ZG/src/pp_spctrlfn.f90\nq-e-qe-7.5/EPW/ZG/tutorial.tar.gz\nq-e-qe-7.5/EPW/bin/\nq-e-qe-7.5/EPW/bin/allocate.py\nq-e-qe-7.5/EPW/bin/pp-xml-depreciated.py\nq-e-qe-7.5/EPW/bin/pp.py\nq-e-qe-7.5/EPW/doc/\nq-e-qe-7.5/EPW/doc/Ford/\nq-e-qe-7.5/EPW/doc/Ford/index.md\nq-e-qe-7.5/EPW/doc/graveyard.txt\nq-e-qe-7.5/EPW/epw.md\nq-e-qe-7.5/EPW/examples/\nq-e-qe-7.5/EPW/examples/diamond/\nq-e-qe-7.5/EPW/examples/diamond/epw/\nq-e-qe-7.5/EPW/examples/diamond/epw/epw.in\nq-e-qe-7.5/EPW/examples/diamond/epw/epw2.in\nq-e-qe-7.5/EPW/examples/diamond/epw/epw3.in\nq-e-qe-7.5/EPW/examples/diamond/epw/epw4.in\nq-e-qe-7.5/EPW/examples/diamond/epw/meshes/\nq-e-qe-7.5/EPW/examples/diamond/epw/meshes/kgen.py\nq-e-qe-7.5/EPW/examples/diamond/epw/meshes/path.dat\nq-e-qe-7.5/EPW/examples/diamond/epw/nscf.in\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/decay.H\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/decay.P\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/decay.dynmat\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/decay.epmat_wanep\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/decay.epwane\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/diam.wout\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/epw.out\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/epw2.out\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/lifetime.phself_34\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/linewidth.elself_50\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/linewidth.phself_50\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/nscf.out\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/scf.out\nq-e-qe-7.5/EPW/examples/diamond/epw/scf.in\nq-e-qe-7.5/EPW/examples/diamond/phonons/\nq-e-qe-7.5/EPW/examples/diamond/phonons/Ref/\nq-e-qe-7.5/EPW/examples/diamond/phonons/Ref/ph.out\nq-e-qe-7.5/EPW/examples/diamond/phonons/Ref/scf.out\nq-e-qe-7.5/EPW/examples/diamond/phonons/ph.in\nq-e-qe-7.5/EPW/examples/diamond/phonons/pp.py\nq-e-qe-7.5/EPW/examples/diamond/phonons/scf.in\nq-e-qe-7.5/EPW/examples/diamond/pp/\nq-e-qe-7.5/EPW/examples/diamond/pp/C_3.98148.UPF\nq-e-qe-7.5/EPW/examples/gan/\nq-e-qe-7.5/EPW/examples/gan/epw/\nq-e-qe-7.5/EPW/examples/gan/epw/epw.in\nq-e-qe-7.5/EPW/examples/gan/epw/gan_band.qpt\nq-e-qe-7.5/EPW/examples/gan/epw/nscf.in\nq-e-qe-7.5/EPW/examples/gan/epw/scf.in\nq-e-qe-7.5/EPW/examples/gan/phonons/\nq-e-qe-7.5/EPW/examples/gan/phonons/ph.in\nq-e-qe-7.5/EPW/examples/gan/phonons/pp.py\nq-e-qe-7.5/EPW/examples/gan/phonons/scf.in\nq-e-qe-7.5/EPW/examples/gan/pp/\nq-e-qe-7.5/EPW/examples/gan/pp/Ga_ONCV_LDA-1.0.upf\nq-e-qe-7.5/EPW/examples/gan/pp/N_ONCV_LDA-1.0.upf\nq-e-qe-7.5/EPW/examples/lif_hdf5/\nq-e-qe-7.5/EPW/examples/lif_hdf5/11-epsilon/\nq-e-qe-7.5/EPW/examples/lif_hdf5/11-epsilon/epsilon.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/11-epsilon/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/12-sigma/\nq-e-qe-7.5/EPW/examples/lif_hdf5/12-sigma/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/12-sigma/sigma.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/13-kernel/\nq-e-qe-7.5/EPW/examples/lif_hdf5/13-kernel/kernel.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/13-kernel/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/14-absorption/\nq-e-qe-7.5/EPW/examples/lif_hdf5/14-absorption/absorption.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/14-absorption/plotxct.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/14-absorption/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/14-absorption/summarize_eigenvectors.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/README.txt\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/epw1.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/epw2.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/epw3.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/path.kpt\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/ph.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/run.epw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/run.ph.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/scf.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/01-Density/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/01-Density/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/01-Density/scf.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/run-pw2bgw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.pp.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/run-pw2bgw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.pp.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/run-pw2bgw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.pp.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/run-pw2bgw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.pp.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/run-pw2bgw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.pp.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/link.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/generate_ex_band.py\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/link.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/run.bse.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/kernel.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/absorption.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/pseudos/\nq-e-qe-7.5/EPW/examples/lif_hdf5/pseudos/F.upf\nq-e-qe-7.5/EPW/examples/lif_hdf5/pseudos/Li.upf\nq-e-qe-7.5/EPW/examples/lif_hdf5/run.espresso.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/setup.sh\nq-e-qe-7.5/EPW/examples/mgb2/\nq-e-qe-7.5/EPW/examples/mgb2/epw/\nq-e-qe-7.5/EPW/examples/mgb2/epw/epw.in\nq-e-qe-7.5/EPW/examples/mgb2/epw/nscf.in\nq-e-qe-7.5/EPW/examples/mgb2/epw/scf.in\nq-e-qe-7.5/EPW/examples/mgb2/phonons/\nq-e-qe-7.5/EPW/examples/mgb2/phonons/ph.in\nq-e-qe-7.5/EPW/examples/mgb2/phonons/pp.py\nq-e-qe-7.5/EPW/examples/mgb2/phonons/scf.in\nq-e-qe-7.5/EPW/examples/mgb2/pp/\nq-e-qe-7.5/EPW/examples/mgb2/pp/B.pz-vbc.UPF\nq-e-qe-7.5/EPW/examples/mgb2/pp/Mg.pz-n-vbc.UPF\nq-e-qe-7.5/EPW/examples/pb/\nq-e-qe-7.5/EPW/examples/pb/pp/\nq-e-qe-7.5/EPW/examples/pb/pp/pb_s.UPF\nq-e-qe-7.5/EPW/examples/pb/wSOC/\nq-e-qe-7.5/EPW/examples/pb/wSOC/epw/\nq-e-qe-7.5/EPW/examples/pb/wSOC/epw/epw.in\nq-e-qe-7.5/EPW/examples/pb/wSOC/epw/nscf.in\nq-e-qe-7.5/EPW/examples/pb/wSOC/epw/scf.in\nq-e-qe-7.5/EPW/examples/pb/wSOC/phonons/\nq-e-qe-7.5/EPW/examples/pb/wSOC/phonons/ph.in\nq-e-qe-7.5/EPW/examples/pb/wSOC/phonons/pp.py\nq-e-qe-7.5/EPW/examples/pb/wSOC/phonons/scf.in\nq-e-qe-7.5/EPW/examples/pb/woSOC/\nq-e-qe-7.5/EPW/examples/pb/woSOC/epw/\nq-e-qe-7.5/EPW/examples/pb/woSOC/epw/epw.in\nq-e-qe-7.5/EPW/examples/pb/woSOC/epw/nscf.in\nq-e-qe-7.5/EPW/examples/pb/woSOC/epw/scf.in\nq-e-qe-7.5/EPW/examples/pb/woSOC/phonons/\nq-e-qe-7.5/EPW/examples/pb/woSOC/phonons/ph.in\nq-e-qe-7.5/EPW/examples/pb/woSOC/phonons/pp.py\nq-e-qe-7.5/EPW/examples/pb/woSOC/phonons/scf.in\nq-e-qe-7.5/EPW/examples/sic/\nq-e-qe-7.5/EPW/examples/sic/epw/\nq-e-qe-7.5/EPW/examples/sic/epw/epw.in\nq-e-qe-7.5/EPW/examples/sic/epw/meshes/\nq-e-qe-7.5/EPW/examples/sic/epw/meshes/10.dat\nq-e-qe-7.5/EPW/examples/sic/epw/nscf.in\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/decay.H\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/decay.P\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/decay.dynmat\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/decay.epmat_wanep\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/decay.epwane\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/epw.out\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/nscf.out\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/scf.out\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/sic.wout\nq-e-qe-7.5/EPW/examples/sic/epw/scf.in\nq-e-qe-7.5/EPW/examples/sic/phonons/\nq-e-qe-7.5/EPW/examples/sic/phonons/out.ref/\nq-e-qe-7.5/EPW/examples/sic/phonons/out.ref/scf.out\nq-e-qe-7.5/EPW/examples/sic/phonons/ph.in\nq-e-qe-7.5/EPW/examples/sic/phonons/pp.py\nq-e-qe-7.5/EPW/examples/sic/phonons/scf.in\nq-e-qe-7.5/EPW/examples/sic/pp/\nq-e-qe-7.5/EPW/examples/sic/pp/C.UPF\nq-e-qe-7.5/EPW/examples/sic/pp/Si.pz-vbc.UPF\nq-e-qe-7.5/EPW/irobjs/\nq-e-qe-7.5/EPW/irobjs/Makefile\nq-e-qe-7.5/EPW/irobjs/README.md\nq-e-qe-7.5/EPW/irobjs/ir_nlambda5_ndigit6.dat\nq-e-qe-7.5/EPW/src/\nq-e-qe-7.5/EPW/src/Makefile\nq-e-qe-7.5/EPW/src/bloch2wannier.f90\nq-e-qe-7.5/EPW/src/close.f90\nq-e-qe-7.5/EPW/src/cumulant.f90\nq-e-qe-7.5/EPW/src/dvqpsi.f90\nq-e-qe-7.5/EPW/src/ep_coarse.f90\nq-e-qe-7.5/EPW/src/ep_coarse_unfolding.f90\nq-e-qe-7.5/EPW/src/ep_constants.f90\nq-e-qe-7.5/EPW/src/epw.f90\nq-e-qe-7.5/EPW/src/exphonon.f90\nq-e-qe-7.5/EPW/src/expolaron.f90\nq-e-qe-7.5/EPW/src/global_var.f90\nq-e-qe-7.5/EPW/src/indabs.f90\nq-e-qe-7.5/EPW/src/init.f90\nq-e-qe-7.5/EPW/src/input.f90\nq-e-qe-7.5/EPW/src/io/\nq-e-qe-7.5/EPW/src/io/change.sh\nq-e-qe-7.5/EPW/src/io/io.f90\nq-e-qe-7.5/EPW/src/io/io_ahc.f90\nq-e-qe-7.5/EPW/src/io/io_indabs.f90\nq-e-qe-7.5/EPW/src/io/io_selfen.f90\nq-e-qe-7.5/EPW/src/io/io_sparse_ir.f90\nq-e-qe-7.5/EPW/src/io/io_supercond.f90\nq-e-qe-7.5/EPW/src/io/io_transport.f90\nq-e-qe-7.5/EPW/src/io/io_var.f90\nq-e-qe-7.5/EPW/src/longrange.f90\nq-e-qe-7.5/EPW/src/phph.f90\nq-e-qe-7.5/EPW/src/polaron.f90\nq-e-qe-7.5/EPW/src/printing.f90\nq-e-qe-7.5/EPW/src/pw2wan.f90\nq-e-qe-7.5/EPW/src/qdabs.f90\nq-e-qe-7.5/EPW/src/readin.f90\nq-e-qe-7.5/EPW/src/selfen.f90\nq-e-qe-7.5/EPW/src/setups.f90\nq-e-qe-7.5/EPW/src/spectral.f90\nq-e-qe-7.5/EPW/src/stop.f90\nq-e-qe-7.5/EPW/src/summaries.f90\nq-e-qe-7.5/EPW/src/supercond.f90\nq-e-qe-7.5/EPW/src/supercond_aniso.f90\nq-e-qe-7.5/EPW/src/supercond_common.f90\nq-e-qe-7.5/EPW/src/supercond_coul.f90\nq-e-qe-7.5/EPW/src/supercond_driver.f90\nq-e-qe-7.5/EPW/src/supercond_iso.f90\nq-e-qe-7.5/EPW/src/supercond_vertex.f90\nq-e-qe-7.5/EPW/src/tdbe_common.f90\nq-e-qe-7.5/EPW/src/tdbe_driver.f90\nq-e-qe-7.5/EPW/src/tdbe_mod.f90\nq-e-qe-7.5/EPW/src/transport.f90\nq-e-qe-7.5/EPW/src/transport_legacy.f90\nq-e-qe-7.5/EPW/src/transport_mag.f90\nq-e-qe-7.5/EPW/src/use_wannier.f90\nq-e-qe-7.5/EPW/src/utilities/\nq-e-qe-7.5/EPW/src/utilities/bcast_input.f90\nq-e-qe-7.5/EPW/src/utilities/bzgrid.f90\nq-e-qe-7.5/EPW/src/utilities/change.sh\nq-e-qe-7.5/EPW/src/utilities/check_deps.sh\nq-e-qe-7.5/EPW/src/utilities/clean_unused_modules.py\nq-e-qe-7.5/EPW/src/utilities/clean_unused_variables.py\nq-e-qe-7.5/EPW/src/utilities/kfold.f90\nq-e-qe-7.5/EPW/src/utilities/kgen.f90\nq-e-qe-7.5/EPW/src/utilities/low_lvl.f90\nq-e-qe-7.5/EPW/src/utilities/nscf2supercond.f90\nq-e-qe-7.5/EPW/src/utilities/parallelism.f90\nq-e-qe-7.5/EPW/src/utilities/screening.f90\nq-e-qe-7.5/EPW/src/utilities/sparse_ir.f90\nq-e-qe-7.5/EPW/src/utilities/symmetry.f90\nq-e-qe-7.5/EPW/src/utilities/utilities.f90\nq-e-qe-7.5/EPW/src/wann_common.f90\nq-e-qe-7.5/EPW/src/wannier.f90\nq-e-qe-7.5/EPW/src/wannier2bloch.f90\nq-e-qe-7.5/EPW/src/wannier2bloch_opt.f90\nq-e-qe-7.5/EPW/src/wannierization.f90\nq-e-qe-7.5/EPW/src/wfpt.f90\nq-e-qe-7.5/EPW/src/wigner.f90\nq-e-qe-7.5/FFTXlib/\nq-e-qe-7.5/FFTXlib/CMakeLists.txt\nq-e-qe-7.5/FFTXlib/Makefile\nq-e-qe-7.5/FFTXlib/README.md\nq-e-qe-7.5/FFTXlib/examples/\nq-e-qe-7.5/FFTXlib/examples/reference/\nq-e-qe-7.5/FFTXlib/examples/reference/fft_test0.out\nq-e-qe-7.5/FFTXlib/examples/run_example\nq-e-qe-7.5/FFTXlib/src/\nq-e-qe-7.5/FFTXlib/src/CMakeLists.txt\nq-e-qe-7.5/FFTXlib/src/Makefile\nq-e-qe-7.5/FFTXlib/src/fft_buffers.f90\nq-e-qe-7.5/FFTXlib/src/fft_error.f90\nq-e-qe-7.5/FFTXlib/src/fft_fwinv.f90\nq-e-qe-7.5/FFTXlib/src/fft_ggen.f90\nq-e-qe-7.5/FFTXlib/src/fft_helper_subroutines.f90\nq-e-qe-7.5/FFTXlib/src/fft_interfaces.f90\nq-e-qe-7.5/FFTXlib/src/fft_interpolate.f90\nq-e-qe-7.5/FFTXlib/src/fft_parallel.f90\nq-e-qe-7.5/FFTXlib/src/fft_parallel_2d.f90\nq-e-qe-7.5/FFTXlib/src/fft_param.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.DFTI.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.ESSL.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.FFTW.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.FFTW3.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.SX6.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.cuFFT.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.f90\nq-e-qe-7.5/FFTXlib/src/fft_scatter.f90\nq-e-qe-7.5/FFTXlib/src/fft_scatter_2d.f90\nq-e-qe-7.5/FFTXlib/src/fft_scatter_2d_gpu.f90\nq-e-qe-7.5/FFTXlib/src/fft_scatter_gpu.f90\nq-e-qe-7.5/FFTXlib/src/fft_smallbox.f90\nq-e-qe-7.5/FFTXlib/src/fft_smallbox_type.f90\nq-e-qe-7.5/FFTXlib/src/fft_stick.c\nq-e-qe-7.5/FFTXlib/src/fft_support.f90\nq-e-qe-7.5/FFTXlib/src/fft_types.f90\nq-e-qe-7.5/FFTXlib/src/fftw.c\nq-e-qe-7.5/FFTXlib/src/fftw.h\nq-e-qe-7.5/FFTXlib/src/fftw_dp.c\nq-e-qe-7.5/FFTXlib/src/fftw_dp.h\nq-e-qe-7.5/FFTXlib/src/fftw_interfaces.f90\nq-e-qe-7.5/FFTXlib/src/fftw_sp.c\nq-e-qe-7.5/FFTXlib/src/fftw_sp.h\nq-e-qe-7.5/FFTXlib/src/konst.h\nq-e-qe-7.5/FFTXlib/src/scatter_mod.f90\nq-e-qe-7.5/FFTXlib/src/stick_base.f90\nq-e-qe-7.5/FFTXlib/src/tg_gather.f90\nq-e-qe-7.5/FFTXlib/tests/\nq-e-qe-7.5/FFTXlib/tests/CMakeLists.txt\nq-e-qe-7.5/FFTXlib/tests/Makefile\nq-e-qe-7.5/FFTXlib/tests/fft_test.f90\nq-e-qe-7.5/FFTXlib/tests/gen_test_params.py\nq-e-qe-7.5/FFTXlib/tests/recips.f90\nq-e-qe-7.5/FFTXlib/tests/sort.f90\nq-e-qe-7.5/FFTXlib/tests/test_fft_scalar_gpu.f90\nq-e-qe-7.5/FFTXlib/tests/test_fft_scatter_mod_gpu.f90\nq-e-qe-7.5/FFTXlib/tests/test_fwinv_gpu.f90\nq-e-qe-7.5/FFTXlib/tests/tester.f90\nq-e-qe-7.5/FFTXlib/tests/utils.f90\nq-e-qe-7.5/GUI/\nq-e-qe-7.5/GUI/CMakeLists.txt\nq-e-qe-7.5/GUI/Guib/\nq-e-qe-7.5/GUI/Guib/AUTHORS\nq-e-qe-7.5/GUI/Guib/BUGS\nq-e-qe-7.5/GUI/Guib/COPYING\nq-e-qe-7.5/GUI/Guib/COPYRIGHT\nq-e-qe-7.5/GUI/Guib/ChangeLog\nq-e-qe-7.5/GUI/Guib/INSTALL\nq-e-qe-7.5/GUI/Guib/Makefile\nq-e-qe-7.5/GUI/Guib/NEWS\nq-e-qe-7.5/GUI/Guib/README\nq-e-qe-7.5/GUI/Guib/THANKS\nq-e-qe-7.5/GUI/Guib/TODO\nq-e-qe-7.5/GUI/Guib/VERSION\nq-e-qe-7.5/GUI/Guib/doc/\nq-e-qe-7.5/GUI/Guib/doc/Makefile\nq-e-qe-7.5/GUI/Guib/doc/diagrams/\nq-e-qe-7.5/GUI/Guib/doc/diagrams/GUI-new.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/GUI-new.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/GUI-open.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/GUI-open.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/Guib.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/Guib.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/Makefile\nq-e-qe-7.5/GUI/Guib/doc/diagrams/PWgui.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/PWgui.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/myGUI.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/myGUI.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/myGUI.tcl\nq-e-qe-7.5/GUI/Guib/doc/diagrams/parsing.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/parsing.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/topng.sh\nq-e-qe-7.5/GUI/Guib/doc/robodoc.rc\nq-e-qe-7.5/GUI/Guib/doc/usage.tex\nq-e-qe-7.5/GUI/Guib/examples/\nq-e-qe-7.5/GUI/Guib/examples/README\nq-e-qe-7.5/GUI/Guib/examples/dimension.inp\nq-e-qe-7.5/GUI/Guib/examples/dimension.tcl\nq-e-qe-7.5/GUI/Guib/examples/kpoints.inp\nq-e-qe-7.5/GUI/Guib/examples/kpoints.tcl\nq-e-qe-7.5/GUI/Guib/examples/pages.inp\nq-e-qe-7.5/GUI/Guib/examples/pages.tcl\nq-e-qe-7.5/GUI/Guib/examples/run.sh\nq-e-qe-7.5/GUI/Guib/examples/simpleSim.inp\nq-e-qe-7.5/GUI/Guib/examples/simpleSim.tcl\nq-e-qe-7.5/GUI/Guib/examples/two_pages.tcl\nq-e-qe-7.5/GUI/Guib/examples/validate.inp\nq-e-qe-7.5/GUI/Guib/examples/validate.tcl\nq-e-qe-7.5/GUI/Guib/external/\nq-e-qe-7.5/GUI/Guib/external/lib/\nq-e-qe-7.5/GUI/Guib/external/lib/cmdline/\nq-e-qe-7.5/GUI/Guib/external/lib/cmdline/cmdline.tcl\nq-e-qe-7.5/GUI/Guib/external/lib/cmdline/pkgIndex.tcl\nq-e-qe-7.5/GUI/Guib/external/lib/fileutil/\nq-e-qe-7.5/GUI/Guib/external/lib/fileutil/fileutil.tcl\nq-e-qe-7.5/GUI/Guib/external/lib/fileutil/pkgIndex.tcl\nq-e-qe-7.5/GUI/Guib/external/lib/license.terms\nq-e-qe-7.5/GUI/Guib/external/lib/pkgIndex.tcl\nq-e-qe-7.5/GUI/Guib/guib\nq-e-qe-7.5/GUI/Guib/guib.bat\nq-e-qe-7.5/GUI/Guib/guib.tcl\nq-e-qe-7.5/GUI/Guib/guib.theme\nq-e-qe-7.5/GUI/Guib/header.tcl\nq-e-qe-7.5/GUI/Guib/images/\nq-e-qe-7.5/GUI/Guib/images/exit2.gif\nq-e-qe-7.5/GUI/Guib/images/fileclose2.gif\nq-e-qe-7.5/GUI/Guib/images/filenew2.gif\nq-e-qe-7.5/GUI/Guib/images/fileopen2.gif\nq-e-qe-7.5/GUI/Guib/images/filesave2.gif\nq-e-qe-7.5/GUI/Guib/images/filesaveas2.gif\nq-e-qe-7.5/GUI/Guib/images/icons.license\nq-e-qe-7.5/GUI/Guib/init.tcl\nq-e-qe-7.5/GUI/Guib/lib/\nq-e-qe-7.5/GUI/Guib/lib/Makefile\nq-e-qe-7.5/GUI/Guib/lib/aindex\nq-e-qe-7.5/GUI/Guib/lib/header.tcl\nq-e-qe-7.5/GUI/Guib/lib/pkgIndex.tcl\nq-e-qe-7.5/GUI/Guib/lib/tclIndex\nq-e-qe-7.5/GUI/Guib/lib/tclUtils.tcl\nq-e-qe-7.5/GUI/Guib/lib/tkUtils.tcl\nq-e-qe-7.5/GUI/Guib/pkgIndex.tcl\nq-e-qe-7.5/GUI/Guib/src/\nq-e-qe-7.5/GUI/Guib/src/Makefile\nq-e-qe-7.5/GUI/Guib/src/aindex\nq-e-qe-7.5/GUI/Guib/src/build.itcl\nq-e-qe-7.5/GUI/Guib/src/dialogshell.itcl\nq-e-qe-7.5/GUI/Guib/src/fnml.tcl\nq-e-qe-7.5/GUI/Guib/src/gui.itcl\nq-e-qe-7.5/GUI/Guib/src/guib-keywords-def.tcl\nq-e-qe-7.5/GUI/Guib/src/guib.itcl\nq-e-qe-7.5/GUI/Guib/src/guibKeywords.itcl\nq-e-qe-7.5/GUI/Guib/src/guibUtils.itcl\nq-e-qe-7.5/GUI/Guib/src/help.itcl\nq-e-qe-7.5/GUI/Guib/src/keywidgets.itcl\nq-e-qe-7.5/GUI/Guib/src/keywordObj.itcl\nq-e-qe-7.5/GUI/Guib/src/moduleObj.itcl\nq-e-qe-7.5/GUI/Guib/src/open.itcl\nq-e-qe-7.5/GUI/Guib/src/optionmenuhelp.itcl\nq-e-qe-7.5/GUI/Guib/src/radioboxhelp.itcl\nq-e-qe-7.5/GUI/Guib/src/save.itcl\nq-e-qe-7.5/GUI/Guib/src/simpleGui.itcl\nq-e-qe-7.5/GUI/Guib/src/spininthelp.itcl\nq-e-qe-7.5/GUI/Guib/src/store.itcl\nq-e-qe-7.5/GUI/Guib/src/table.itcl\nq-e-qe-7.5/GUI/Guib/src/tclIndex\nq-e-qe-7.5/GUI/Guib/src/text.itcl\nq-e-qe-7.5/GUI/Guib/src/validate.itcl\nq-e-qe-7.5/GUI/Guib/src/widgets.itcl\nq-e-qe-7.5/GUI/Guib/sys_utils/\nq-e-qe-7.5/GUI/Guib/sys_utils/mgt.tabs\nq-e-qe-7.5/GUI/Guib/sys_utils/repack.sh\nq-e-qe-7.5/GUI/Makefile\nq-e-qe-7.5/GUI/PWgui/\nq-e-qe-7.5/GUI/PWgui/AUTHORS\nq-e-qe-7.5/GUI/PWgui/BUGS\nq-e-qe-7.5/GUI/PWgui/COPYING\nq-e-qe-7.5/GUI/PWgui/COPYRIGHT\nq-e-qe-7.5/GUI/PWgui/ChangeLog\nq-e-qe-7.5/GUI/PWgui/INSTALL\nq-e-qe-7.5/GUI/PWgui/INSTALL.repository\nq-e-qe-7.5/GUI/PWgui/Makefile\nq-e-qe-7.5/GUI/PWgui/NEWS\nq-e-qe-7.5/GUI/PWgui/README\nq-e-qe-7.5/GUI/PWgui/README.developer\nq-e-qe-7.5/GUI/PWgui/THANKS\nq-e-qe-7.5/GUI/PWgui/TODO\nq-e-qe-7.5/GUI/PWgui/VERSION\nq-e-qe-7.5/GUI/PWgui/doc/\nq-e-qe-7.5/GUI/PWgui/doc/Makefile\nq-e-qe-7.5/GUI/PWgui/doc/htmlise.sh\nq-e-qe-7.5/GUI/PWgui/examples/\nq-e-qe-7.5/GUI/PWgui/examples/atomic/\nq-e-qe-7.5/GUI/PWgui/examples/atomic/pt.all_electron.in\nq-e-qe-7.5/GUI/PWgui/examples/atomic/pt.pseudo_gen.in\nq-e-qe-7.5/GUI/PWgui/examples/atomic/rh.pseudo_test.in\nq-e-qe-7.5/GUI/PWgui/examples/d3/\nq-e-qe-7.5/GUI/PWgui/examples/d3/sample.d3.inp\nq-e-qe-7.5/GUI/PWgui/examples/neb.dat/\nq-e-qe-7.5/GUI/PWgui/examples/neb.dat/neb.dat\nq-e-qe-7.5/GUI/PWgui/examples/ph/\nq-e-qe-7.5/GUI/PWgui/examples/ph/sample.ph.inp\nq-e-qe-7.5/GUI/PWgui/examples/pp/\nq-e-qe-7.5/GUI/PWgui/examples/pp/psi2-noncolin.pp.in\nq-e-qe-7.5/GUI/PWgui/examples/pp/psi2-v2.pp.inp\nq-e-qe-7.5/GUI/PWgui/examples/pp/psi2.pp.inp\nq-e-qe-7.5/GUI/PWgui/examples/projwfc/\nq-e-qe-7.5/GUI/PWgui/examples/projwfc/sample.pr.inp\nq-e-qe-7.5/GUI/PWgui/examples/pw/\nq-e-qe-7.5/GUI/PWgui/examples/pw/Si_band.pw.inp\nq-e-qe-7.5/GUI/PWgui/examples/pw/Si_scf.pw.inp\nq-e-qe-7.5/GUI/PWgui/examples/pw/abc.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/addit-k-points.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/additional_k_points\nq-e-qe-7.5/GUI/PWgui/examples/pw/al.band.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/al.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/atomic_positions\nq-e-qe-7.5/GUI/PWgui/examples/pw/cu.band.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/cu.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/hubbard+occup.pw.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/hubbard.pw.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/k_points\nq-e-qe-7.5/GUI/PWgui/examples/pw/ni.band.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/ni.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/occup+hubbard.pw.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/occupations.pw.inp\nq-e-qe-7.5/GUI/PWgui/examples/pw/sample.pw.inp\nq-e-qe-7.5/GUI/PWgui/examples/pw/si.band.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/si.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/vdw_corr.in\nq-e-qe-7.5/GUI/PWgui/external/\nq-e-qe-7.5/GUI/PWgui/external/lib/\nq-e-qe-7.5/GUI/PWgui/external/lib/Makefile\nq-e-qe-7.5/GUI/PWgui/external/lib/license.terms\nq-e-qe-7.5/GUI/PWgui/external/src/\nq-e-qe-7.5/GUI/PWgui/external/src/Makefile\nq-e-qe-7.5/GUI/PWgui/external/src/license.terms\nq-e-qe-7.5/GUI/PWgui/external/src/tkAppInit.c\nq-e-qe-7.5/GUI/PWgui/header.tcl\nq-e-qe-7.5/GUI/PWgui/images/\nq-e-qe-7.5/GUI/PWgui/images/license.terms\nq-e-qe-7.5/GUI/PWgui/images/pwgui-logo.gif\nq-e-qe-7.5/GUI/PWgui/images/pwgui-logo.xcf.bz2\nq-e-qe-7.5/GUI/PWgui/images/pwscf-logo.gif\nq-e-qe-7.5/GUI/PWgui/init.tcl\nq-e-qe-7.5/GUI/PWgui/lib/\nq-e-qe-7.5/GUI/PWgui/lib/.dont-delete\nq-e-qe-7.5/GUI/PWgui/make.usage\nq-e-qe-7.5/GUI/PWgui/modules/\nq-e-qe-7.5/GUI/PWgui/modules/atomic/\nq-e-qe-7.5/GUI/PWgui/modules/atomic/atomic-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/atomic/atomic-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/atomic/atomic.tcl\nq-e-qe-7.5/GUI/PWgui/modules/atomic/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/bands/\nq-e-qe-7.5/GUI/PWgui/modules/bands/bands-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/bands/bands-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/bands/bands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/bands/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/d3/\nq-e-qe-7.5/GUI/PWgui/modules/d3/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/d3/d3-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/d3/d3-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/d3/d3.tcl\nq-e-qe-7.5/GUI/PWgui/modules/dos/\nq-e-qe-7.5/GUI/PWgui/modules/dos/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/dos/dos-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/dos/dos-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/dos/dos.tcl\nq-e-qe-7.5/GUI/PWgui/modules/hp/\nq-e-qe-7.5/GUI/PWgui/modules/hp/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/hp/hp-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/hp/hp-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/hp/hp.tcl\nq-e-qe-7.5/GUI/PWgui/modules/neb/\nq-e-qe-7.5/GUI/PWgui/modules/neb/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/neb/neb-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/neb/neb-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/neb/neb.tcl\nq-e-qe-7.5/GUI/PWgui/modules/ph/\nq-e-qe-7.5/GUI/PWgui/modules/ph/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/ph/ph-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/ph/ph-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/ph/ph.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pp/\nq-e-qe-7.5/GUI/PWgui/modules/pp/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pp/pp-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pp/pp-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pp/pp.tcl\nq-e-qe-7.5/GUI/PWgui/modules/projwfc/\nq-e-qe-7.5/GUI/PWgui/modules/projwfc/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/projwfc/projwfc-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/projwfc/projwfc-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/projwfc/projwfc.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pw/\nq-e-qe-7.5/GUI/PWgui/modules/pw/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pw/pw-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pw/pw-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pw/pw.tcl\nq-e-qe-7.5/GUI/PWgui/pwgui\nq-e-qe-7.5/GUI/PWgui/pwgui.bat\nq-e-qe-7.5/GUI/PWgui/pwgui.settings\nq-e-qe-7.5/GUI/PWgui/pwgui.tcl\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/MakeDir.sh\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/Makefile\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/README\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/darwin-ppc.sh\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/linux-x86.sh\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/linux-x86_64.sh\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/make.darwin\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/make.linux\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/make.win32\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/win32.sh\nq-e-qe-7.5/GUI/PWgui/src/\nq-e-qe-7.5/GUI/PWgui/src/Makefile\nq-e-qe-7.5/GUI/PWgui/src/about.html\nq-e-qe-7.5/GUI/PWgui/src/aindex\nq-e-qe-7.5/GUI/PWgui/src/auxil.itcl\nq-e-qe-7.5/GUI/PWgui/src/edit.itcl\nq-e-qe-7.5/GUI/PWgui/src/init.itcl\nq-e-qe-7.5/GUI/PWgui/src/menustate.itcl\nq-e-qe-7.5/GUI/PWgui/src/modutil.itcl\nq-e-qe-7.5/GUI/PWgui/src/pwscf.itcl\nq-e-qe-7.5/GUI/PWgui/src/pwscf.theme\nq-e-qe-7.5/GUI/PWgui/src/run.itcl\nq-e-qe-7.5/GUI/PWgui/src/settings.itcl\nq-e-qe-7.5/GUI/PWgui/src/tclIndex\nq-e-qe-7.5/GUI/PWgui/src/view.itcl\nq-e-qe-7.5/GUI/PWgui/sys_utils/\nq-e-qe-7.5/GUI/PWgui/sys_utils/bin.sh\nq-e-qe-7.5/GUI/PWgui/sys_utils/make.guib\nq-e-qe-7.5/GUI/PWgui/sys_utils/publish.sh\nq-e-qe-7.5/GUI/PWgui/sys_utils/repack.sh\nq-e-qe-7.5/GUI/PWgui/sys_utils/starkit.sh\nq-e-qe-7.5/GUI/PWgui/tests/\nq-e-qe-7.5/GUI/PWgui/tests/run-tests.sh\nq-e-qe-7.5/GUI/QE-modes/\nq-e-qe-7.5/GUI/QE-modes/Doc/\nq-e-qe-7.5/GUI/QE-modes/Doc/Makefile\nq-e-qe-7.5/GUI/QE-modes/Doc/highlight.png\nq-e-qe-7.5/GUI/QE-modes/Doc/insert-template.png\nq-e-qe-7.5/GUI/QE-modes/Doc/user_guide.pdf\nq-e-qe-7.5/GUI/QE-modes/Doc/user_guide.tex\nq-e-qe-7.5/GUI/QE-modes/Makefile\nq-e-qe-7.5/GUI/QE-modes/README\nq-e-qe-7.5/GUI/QE-modes/README.repository\nq-e-qe-7.5/GUI/QE-modes/THANKS\nq-e-qe-7.5/GUI/QE-modes/install.sh\nq-e-qe-7.5/GUI/QE-modes/qe-modes.emacs\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/README\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/autoload-specific.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/bands.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/card-noflags.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/card.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/cp.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/dos.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/dynmat.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/header.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/insert-template.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/ld1.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/namelist.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/neb.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/ph.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/pp.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/projwfc.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/pw.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/pwtk-mode.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/qe-all-modes.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/qe-all-modes.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/qe-funcs.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/qe-mode.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/qe-modes.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/stringvar.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/supercard-open.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/supercard.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/var.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes/\nq-e-qe-7.5/GUI/QE-modes/qe-modes/cp-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/ld1-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/neb-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/ph-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/pp-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/pw-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/pwtk-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/qe-funcs.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/qe-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/qe-modes.el\nq-e-qe-7.5/GUI/README\nq-e-qe-7.5/GWW/\nq-e-qe-7.5/GWW/CMakeLists.txt\nq-e-qe-7.5/GWW/Makefile\nq-e-qe-7.5/GWW/bse/\nq-e-qe-7.5/GWW/bse/Makefile\nq-e-qe-7.5/GWW/bse/absorption.f90\nq-e-qe-7.5/GWW/bse/bse_basic_structure.f90\nq-e-qe-7.5/GWW/bse/bse_main.f90\nq-e-qe-7.5/GWW/bse/bse_wannier.f90\nq-e-qe-7.5/GWW/bse/cgsolve.f90\nq-e-qe-7.5/GWW/bse/check_basis.f90\nq-e-qe-7.5/GWW/bse/conj_grad_stuff.f90\nq-e-qe-7.5/GWW/bse/conjgrad.f90\nq-e-qe-7.5/GWW/bse/contract_w_exc.f90\nq-e-qe-7.5/GWW/bse/diago_exc.f90\nq-e-qe-7.5/GWW/bse/direct_v_exc.f90\nq-e-qe-7.5/GWW/bse/direct_w_exc.f90\nq-e-qe-7.5/GWW/bse/direct_www.f90\nq-e-qe-7.5/GWW/bse/dvpsi_bse.f90\nq-e-qe-7.5/GWW/bse/exc_h_a.f90\nq-e-qe-7.5/GWW/bse/exchange_exc.f90\nq-e-qe-7.5/GWW/bse/exciton.f90\nq-e-qe-7.5/GWW/bse/find_eig.f90\nq-e-qe-7.5/GWW/bse/h_h.f90\nq-e-qe-7.5/GWW/bse/lanczos.f90\nq-e-qe-7.5/GWW/bse/openfil_bse.f90\nq-e-qe-7.5/GWW/bse/plot_excwfn.f90\nq-e-qe-7.5/GWW/bse/print_bse.f90\nq-e-qe-7.5/GWW/bse/print_spectrum.f90\nq-e-qe-7.5/GWW/bse/qpcorrections.f90\nq-e-qe-7.5/GWW/bse/qpe_exc.f90\nq-e-qe-7.5/GWW/bse/read_export.f90\nq-e-qe-7.5/GWW/bse/rotate_wannier.f90\nq-e-qe-7.5/GWW/bse/sdescent.f90\nq-e-qe-7.5/GWW/bse/spectrum.f90\nq-e-qe-7.5/GWW/bse/start_bse.f90\nq-e-qe-7.5/GWW/bse/tmp.f90\nq-e-qe-7.5/GWW/bse/transitions.f90\nq-e-qe-7.5/GWW/bse/tspace.f90\nq-e-qe-7.5/GWW/bse/write_wannier_matrix.f90\nq-e-qe-7.5/GWW/doc/\nq-e-qe-7.5/GWW/doc/README\nq-e-qe-7.5/GWW/doc/make.sys_SCALAPACK\nq-e-qe-7.5/GWW/examples/\nq-e-qe-7.5/GWW/examples/README\nq-e-qe-7.5/GWW/examples/example01/\nq-e-qe-7.5/GWW/examples/example01/methane_gww.in\nq-e-qe-7.5/GWW/examples/example01/methane_gww_steps.in\nq-e-qe-7.5/GWW/examples/example01/methane_pw4gww.in\nq-e-qe-7.5/GWW/examples/example01/methane_pw4gww_basis.in\nq-e-qe-7.5/GWW/examples/example01/methane_pw4gww_steps.in\nq-e-qe-7.5/GWW/examples/example01/methane_scf.in\nq-e-qe-7.5/GWW/examples/example01/methane_scf_25.in\nq-e-qe-7.5/GWW/examples/example01/methane_scf_35.in\nq-e-qe-7.5/GWW/examples/example01/reference/\nq-e-qe-7.5/GWW/examples/example01/reference/methane_gww.out\nq-e-qe-7.5/GWW/examples/example01/reference/methane_pw4gww.out\nq-e-qe-7.5/GWW/examples/example01/reference/methane_scf.out\nq-e-qe-7.5/GWW/examples/example01/run_example\nq-e-qe-7.5/GWW/examples/example02/\nq-e-qe-7.5/GWW/examples/example02/reference/\nq-e-qe-7.5/GWW/examples/example02/reference/si_gww.out\nq-e-qe-7.5/GWW/examples/example02/reference/si_head.out\nq-e-qe-7.5/GWW/examples/example02/reference/si_nscf.out\nq-e-qe-7.5/GWW/examples/example02/reference/si_pw4gww.out\nq-e-qe-7.5/GWW/examples/example02/reference/si_scf_k.out\nq-e-qe-7.5/GWW/examples/example02/run_example\nq-e-qe-7.5/GWW/examples/example02/si_gww.in\nq-e-qe-7.5/GWW/examples/example02/si_head.in\nq-e-qe-7.5/GWW/examples/example02/si_nscf.in\nq-e-qe-7.5/GWW/examples/example02/si_pw4gww.in\nq-e-qe-7.5/GWW/examples/example02/si_pw4gww_planewaves.in\nq-e-qe-7.5/GWW/examples/example02/si_scf_k.in\nq-e-qe-7.5/GWW/examples/example03/\nq-e-qe-7.5/GWW/examples/example03/run_example\nq-e-qe-7.5/GWW/examples/example04/\nq-e-qe-7.5/GWW/examples/example04/Ag_ONCV_PBE-1.0.upf\nq-e-qe-7.5/GWW/examples/example04/README\nq-e-qe-7.5/GWW/examples/example04/reference/\nq-e-qe-7.5/GWW/examples/example04/reference/ag.dos_broadening.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.eels.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.eps_inter_im.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.eps_inter_re.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.eps_tot_im.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.eps_tot_re.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.jdos.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.optical_constants.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag_nscf.in\nq-e-qe-7.5/GWW/examples/example04/reference/ag_nscf.out\nq-e-qe-7.5/GWW/examples/example04/reference/ag_scf.in\nq-e-qe-7.5/GWW/examples/example04/reference/ag_scf.out\nq-e-qe-7.5/GWW/examples/example04/reference/ag_simple.in\nq-e-qe-7.5/GWW/examples/example04/reference/ag_simple.out\nq-e-qe-7.5/GWW/examples/example04/reference/ag_simple_ip.in\nq-e-qe-7.5/GWW/examples/example04/reference/ag_simple_ip.out\nq-e-qe-7.5/GWW/examples/example04/reference/pippo.txt\nq-e-qe-7.5/GWW/examples/example04/run_example\nq-e-qe-7.5/GWW/examples/example05/\nq-e-qe-7.5/GWW/examples/example05/reference/\nq-e-qe-7.5/GWW/examples/example05/reference/ab_coeff.dat\nq-e-qe-7.5/GWW/examples/example05/reference/abcoeff_to_eps.in\nq-e-qe-7.5/GWW/examples/example05/reference/abcoeff_to_eps.tmp\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps1x.dat\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps1y.dat\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps1z.dat\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps2x.dat\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps2y.dat\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps2z.dat\nq-e-qe-7.5/GWW/examples/example05/reference/si_gww.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_gww.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_head.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_head.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_nscf.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_nscf.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_nscf_k.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_nscf_k.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_pw4gww.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_pw4gww.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_scf_k.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_scf_k.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_simple.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_simple.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_simple_bse.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_simple_bse.out\nq-e-qe-7.5/GWW/examples/example05/run_example\nq-e-qe-7.5/GWW/examples/example06/\nq-e-qe-7.5/GWW/examples/example06/reference/\nq-e-qe-7.5/GWW/examples/example06/reference/silane_bse.out\nq-e-qe-7.5/GWW/examples/example06/reference/silane_pw4gww.out\nq-e-qe-7.5/GWW/examples/example06/reference/silane_scf.out\nq-e-qe-7.5/GWW/examples/example06/run_example\nq-e-qe-7.5/GWW/gww/\nq-e-qe-7.5/GWW/gww/Makefile\nq-e-qe-7.5/GWW/gww/basic_structures.f90\nq-e-qe-7.5/GWW/gww/compact_product.f90\nq-e-qe-7.5/GWW/gww/contour.f90\nq-e-qe-7.5/GWW/gww/create_hf.f90\nq-e-qe-7.5/GWW/gww/create_quasi_particle.f90\nq-e-qe-7.5/GWW/gww/create_quasi_particle_off.f90\nq-e-qe-7.5/GWW/gww/do_contour.f90\nq-e-qe-7.5/GWW/gww/do_polarization_lanczos.f90\nq-e-qe-7.5/GWW/gww/do_self_lanczos.f90\nq-e-qe-7.5/GWW/gww/do_self_lanczos_full.f90\nq-e-qe-7.5/GWW/gww/do_self_lanczos_time.f90\nq-e-qe-7.5/GWW/gww/energies_gww.f90\nq-e-qe-7.5/GWW/gww/expansion.f90\nq-e-qe-7.5/GWW/gww/fft_gw.f90\nq-e-qe-7.5/GWW/gww/fit_multipole.f90\nq-e-qe-7.5/GWW/gww/fit_polynomial.f90\nq-e-qe-7.5/GWW/gww/go_dressed_w.f90\nq-e-qe-7.5/GWW/gww/go_exchange.f90\nq-e-qe-7.5/GWW/gww/go_fft.f90\nq-e-qe-7.5/GWW/gww/go_green.f90\nq-e-qe-7.5/GWW/gww/go_polarization.f90\nq-e-qe-7.5/GWW/gww/green_function.f90\nq-e-qe-7.5/GWW/gww/gv_time.f90\nq-e-qe-7.5/GWW/gww/gww.f90\nq-e-qe-7.5/GWW/gww/gww_fit.f90\nq-e-qe-7.5/GWW/gww/input_gw.f90\nq-e-qe-7.5/GWW/gww/lanczos_polarization.f90\nq-e-qe-7.5/GWW/gww/para_gww.f90\nq-e-qe-7.5/GWW/gww/polarization.f90\nq-e-qe-7.5/GWW/gww/read_data_pw.f90\nq-e-qe-7.5/GWW/gww/remainder.f90\nq-e-qe-7.5/GWW/gww/self_energy.f90\nq-e-qe-7.5/GWW/gww/self_energy_storage.f90\nq-e-qe-7.5/GWW/gww/start_end.f90\nq-e-qe-7.5/GWW/gww/times_gw.f90\nq-e-qe-7.5/GWW/gww/vcprim.f90\nq-e-qe-7.5/GWW/head/\nq-e-qe-7.5/GWW/head/Makefile\nq-e-qe-7.5/GWW/head/bcast_gwl_input.f90\nq-e-qe-7.5/GWW/head/close_gwl.f90\nq-e-qe-7.5/GWW/head/gwl_readin.f90\nq-e-qe-7.5/GWW/head/head.f90\nq-e-qe-7.5/GWW/head/lanczos_k.f90\nq-e-qe-7.5/GWW/head/openfilq_gwl.f90\nq-e-qe-7.5/GWW/head/solve_head.f90\nq-e-qe-7.5/GWW/minpack/\nq-e-qe-7.5/GWW/minpack/Makefile\nq-e-qe-7.5/GWW/minpack/dpmpar.f90\nq-e-qe-7.5/GWW/minpack/enorm.f90\nq-e-qe-7.5/GWW/minpack/fdjac2.f90\nq-e-qe-7.5/GWW/minpack/lmder.f90\nq-e-qe-7.5/GWW/minpack/lmder1.f90\nq-e-qe-7.5/GWW/minpack/lmdif.f90\nq-e-qe-7.5/GWW/minpack/lmdif1.f90\nq-e-qe-7.5/GWW/minpack/lmpar.f90\nq-e-qe-7.5/GWW/minpack/mlagzo.f90\nq-e-qe-7.5/GWW/minpack/mlegzo.f90\nq-e-qe-7.5/GWW/minpack/qrfac.f90\nq-e-qe-7.5/GWW/minpack/qrsolv.f90\nq-e-qe-7.5/GWW/minpack/test.f90\nq-e-qe-7.5/GWW/pw4gww/\nq-e-qe-7.5/GWW/pw4gww/Makefile\nq-e-qe-7.5/GWW/pw4gww/allocate_wannier.f90\nq-e-qe-7.5/GWW/pw4gww/calculate_wing.f90\nq-e-qe-7.5/GWW/pw4gww/cgsolve_all_gamma.f90\nq-e-qe-7.5/GWW/pw4gww/contour_terms.f90\nq-e-qe-7.5/GWW/pw4gww/convergence.f90\nq-e-qe-7.5/GWW/pw4gww/dft_exchange.f90\nq-e-qe-7.5/GWW/pw4gww/diago_cg.f90\nq-e-qe-7.5/GWW/pw4gww/diago_cg_g.f90\nq-e-qe-7.5/GWW/pw4gww/easy_gw.f90\nq-e-qe-7.5/GWW/pw4gww/energies_xc.f90\nq-e-qe-7.5/GWW/pw4gww/exchange_custom.f90\nq-e-qe-7.5/GWW/pw4gww/fake_conduction.f90\nq-e-qe-7.5/GWW/pw4gww/fft_custom.f90\nq-e-qe-7.5/GWW/pw4gww/full.f90\nq-e-qe-7.5/GWW/pw4gww/gww_realus.f90\nq-e-qe-7.5/GWW/pw4gww/hpsi_pw4gww.f90\nq-e-qe-7.5/GWW/pw4gww/lanczos_chains.f90\nq-e-qe-7.5/GWW/pw4gww/matrix_wannier_gamma.f90\nq-e-qe-7.5/GWW/pw4gww/mp_wave_parallel.f90\nq-e-qe-7.5/GWW/pw4gww/o_1psi.f90\nq-e-qe-7.5/GWW/pw4gww/o_bands.f90\nq-e-qe-7.5/GWW/pw4gww/o_rinitcgg.f90\nq-e-qe-7.5/GWW/pw4gww/openfil_pw4gww.f90\nq-e-qe-7.5/GWW/pw4gww/operator_1_vp.f90\nq-e-qe-7.5/GWW/pw4gww/operator_debug.f90\nq-e-qe-7.5/GWW/pw4gww/optimal.f90\nq-e-qe-7.5/GWW/pw4gww/pola_lanczos.f90\nq-e-qe-7.5/GWW/pw4gww/pola_partial.f90\nq-e-qe-7.5/GWW/pw4gww/produce_wannier_gamma.f90\nq-e-qe-7.5/GWW/pw4gww/pw4gww.f90\nq-e-qe-7.5/GWW/pw4gww/rotate_wannier.f90\nq-e-qe-7.5/GWW/pw4gww/self_lanczos.f90\nq-e-qe-7.5/GWW/pw4gww/semicore.f90\nq-e-qe-7.5/GWW/pw4gww/semicore_read.f90\nq-e-qe-7.5/GWW/pw4gww/start_pw4gww.f90\nq-e-qe-7.5/GWW/pw4gww/stop_pp.f90\nq-e-qe-7.5/GWW/pw4gww/v_basis.f90\nq-e-qe-7.5/GWW/pw4gww/wannier.f90\nq-e-qe-7.5/GWW/pw4gww/wannier_bse.f90\nq-e-qe-7.5/GWW/pw4gww/wannier_uterms.f90\nq-e-qe-7.5/GWW/pw4gww/wfc_real.f90\nq-e-qe-7.5/GWW/pw4gww/write_vpot_matrix.f90\nq-e-qe-7.5/GWW/pw4gww/write_wannier_matrix.f90\nq-e-qe-7.5/GWW/simple/\nq-e-qe-7.5/GWW/simple/Makefile\nq-e-qe-7.5/GWW/simple/commutator.f90\nq-e-qe-7.5/GWW/simple/epe.f90\nq-e-qe-7.5/GWW/simple/gk_sort_limit.f90\nq-e-qe-7.5/GWW/simple/input_simple.f90\nq-e-qe-7.5/GWW/simple/khamiltonian.f90\nq-e-qe-7.5/GWW/simple/openfile_simple.f90\nq-e-qe-7.5/GWW/simple/product_basis.f90\nq-e-qe-7.5/GWW/simple/read_export.f90\nq-e-qe-7.5/GWW/simple/simple.f90\nq-e-qe-7.5/GWW/simple/stop_pp.f90\nq-e-qe-7.5/GWW/simple/v_product.f90\nq-e-qe-7.5/GWW/simple/wfc_basis.f90\nq-e-qe-7.5/GWW/simple_bse/\nq-e-qe-7.5/GWW/simple_bse/Makefile\nq-e-qe-7.5/GWW/simple_bse/build_eemat.f90\nq-e-qe-7.5/GWW/simple_bse/derived_object.f90\nq-e-qe-7.5/GWW/simple_bse/diago_exc_cg.f90\nq-e-qe-7.5/GWW/simple_bse/diago_exc_sd.f90\nq-e-qe-7.5/GWW/simple_bse/hamiltonian.f90\nq-e-qe-7.5/GWW/simple_bse/input_simple_exc.f90\nq-e-qe-7.5/GWW/simple_bse/lanczos.f90\nq-e-qe-7.5/GWW/simple_bse/simple_bse.f90\nq-e-qe-7.5/GWW/simple_bse/simple_eigen.f90\nq-e-qe-7.5/GWW/simple_bse/simple_object.f90\nq-e-qe-7.5/GWW/simple_bse/spectrum.f90\nq-e-qe-7.5/GWW/simple_bse/start_end.f90\nq-e-qe-7.5/GWW/simple_ip/\nq-e-qe-7.5/GWW/simple_ip/Makefile\nq-e-qe-7.5/GWW/simple_ip/diagonalization.f90\nq-e-qe-7.5/GWW/simple_ip/dielectric.f90\nq-e-qe-7.5/GWW/simple_ip/input_simple_ip.f90\nq-e-qe-7.5/GWW/simple_ip/interpolation.f90\nq-e-qe-7.5/GWW/simple_ip/simple_ip.f90\nq-e-qe-7.5/GWW/simple_ip/simple_ip_objects.f90\nq-e-qe-7.5/GWW/simple_ip/start_end.f90\nq-e-qe-7.5/GWW/simple_ip/tetra_mod1.f90\nq-e-qe-7.5/GWW/simple_ip/tetra_mod2.f90\nq-e-qe-7.5/GWW/util/\nq-e-qe-7.5/GWW/util/Makefile\nq-e-qe-7.5/GWW/util/abcoeff_to_eps.f90\nq-e-qe-7.5/GWW/util/graph.f90\nq-e-qe-7.5/GWW/util/memory_pw4gww.f90\nq-e-qe-7.5/HP/\nq-e-qe-7.5/HP/CMakeLists.txt\nq-e-qe-7.5/HP/Doc/\nq-e-qe-7.5/HP/Doc/INPUT_HP.def\nq-e-qe-7.5/HP/Doc/INPUT_HP.html\nq-e-qe-7.5/HP/Doc/INPUT_HP.txt\nq-e-qe-7.5/HP/Doc/Makefile\nq-e-qe-7.5/HP/Doc/README\nq-e-qe-7.5/HP/Makefile\nq-e-qe-7.5/HP/examples/\nq-e-qe-7.5/HP/examples/README\nq-e-qe-7.5/HP/examples/clean_all\nq-e-qe-7.5/HP/examples/example01/\nq-e-qe-7.5/HP/examples/example01/reference/\nq-e-qe-7.5/HP/examples/example01/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example01/reference/LiCoO2.hp.in\nq-e-qe-7.5/HP/examples/example01/reference/LiCoO2.scf.in\nq-e-qe-7.5/HP/examples/example01/run_example\nq-e-qe-7.5/HP/examples/example02/\nq-e-qe-7.5/HP/examples/example02/README\nq-e-qe-7.5/HP/examples/example02/reference/\nq-e-qe-7.5/HP/examples/example02/reference/NiO.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example02/reference/NiO.hp.in\nq-e-qe-7.5/HP/examples/example02/reference/NiO.scf1.in\nq-e-qe-7.5/HP/examples/example02/reference/NiO.scf2.in\nq-e-qe-7.5/HP/examples/example02/run_example1\nq-e-qe-7.5/HP/examples/example02/run_example2\nq-e-qe-7.5/HP/examples/example03/\nq-e-qe-7.5/HP/examples/example03/reference/\nq-e-qe-7.5/HP/examples/example03/reference/CrI3.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example03/reference/CrI3.hp.in\nq-e-qe-7.5/HP/examples/example03/reference/CrI3.scf1.in\nq-e-qe-7.5/HP/examples/example03/reference/CrI3.scf2.in\nq-e-qe-7.5/HP/examples/example03/run_example\nq-e-qe-7.5/HP/examples/example04/\nq-e-qe-7.5/HP/examples/example04/reference/\nq-e-qe-7.5/HP/examples/example04/reference/Ni.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example04/reference/Ni.hp.in\nq-e-qe-7.5/HP/examples/example04/reference/Ni.scf.in\nq-e-qe-7.5/HP/examples/example04/run_example\nq-e-qe-7.5/HP/examples/example05/\nq-e-qe-7.5/HP/examples/example05/reference/\nq-e-qe-7.5/HP/examples/example05/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example05/reference/LiCoO2.hp.in\nq-e-qe-7.5/HP/examples/example05/reference/LiCoO2.scf.in\nq-e-qe-7.5/HP/examples/example05/run_example\nq-e-qe-7.5/HP/examples/example06/\nq-e-qe-7.5/HP/examples/example06/reference/\nq-e-qe-7.5/HP/examples/example06/reference/Ni2MnGa.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example06/reference/Ni2MnGa.hp.Mn.in\nq-e-qe-7.5/HP/examples/example06/reference/Ni2MnGa.hp.Ni.in\nq-e-qe-7.5/HP/examples/example06/reference/Ni2MnGa.hp.final.in\nq-e-qe-7.5/HP/examples/example06/reference/Ni2MnGa.scf.in\nq-e-qe-7.5/HP/examples/example06/run_example\nq-e-qe-7.5/HP/examples/example07/\nq-e-qe-7.5/HP/examples/example07/reference/\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step1.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step2.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step3.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step1.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step2.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step3.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.final.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.scf.in\nq-e-qe-7.5/HP/examples/example07/run_example\nq-e-qe-7.5/HP/examples/example08/\nq-e-qe-7.5/HP/examples/example08/reference/\nq-e-qe-7.5/HP/examples/example08/reference/NiO2.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example08/reference/NiO2.hp.in\nq-e-qe-7.5/HP/examples/example08/reference/NiO2.scf.in\nq-e-qe-7.5/HP/examples/example08/run_example\nq-e-qe-7.5/HP/examples/example09/\nq-e-qe-7.5/HP/examples/example09/reference/\nq-e-qe-7.5/HP/examples/example09/reference/CoO2.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example09/reference/CoO2.hp.in\nq-e-qe-7.5/HP/examples/example09/reference/CoO2.scf.in\nq-e-qe-7.5/HP/examples/example09/run_example\nq-e-qe-7.5/HP/examples/example10/\nq-e-qe-7.5/HP/examples/example10/reference/\nq-e-qe-7.5/HP/examples/example10/reference/HUBBARD.dat\nq-e-qe-7.5/HP/examples/example10/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example10/reference/LiCoO2.hp.in\nq-e-qe-7.5/HP/examples/example10/reference/LiCoO2.scf.in\nq-e-qe-7.5/HP/examples/example10/run_example\nq-e-qe-7.5/HP/examples/run_all_examples\nq-e-qe-7.5/HP/src/\nq-e-qe-7.5/HP/src/Makefile\nq-e-qe-7.5/HP/src/hp_R_points.f90\nq-e-qe-7.5/HP/src/hp_allocate_q.f90\nq-e-qe-7.5/HP/src/hp_bcast_input.f90\nq-e-qe-7.5/HP/src/hp_calc_chi.f90\nq-e-qe-7.5/HP/src/hp_check_pert.f90\nq-e-qe-7.5/HP/src/hp_check_type.f90\nq-e-qe-7.5/HP/src/hp_clean_q.f90\nq-e-qe-7.5/HP/src/hp_close_q.f90\nq-e-qe-7.5/HP/src/hp_dealloc_1.f90\nq-e-qe-7.5/HP/src/hp_dealloc_2.f90\nq-e-qe-7.5/HP/src/hp_dealloc_q.f90\nq-e-qe-7.5/HP/src/hp_dnsq.f90\nq-e-qe-7.5/HP/src/hp_dnstot_sum_q.f90\nq-e-qe-7.5/HP/src/hp_dvpsi_pert.f90\nq-e-qe-7.5/HP/src/hp_find_inequiv_sites.f90\nq-e-qe-7.5/HP/src/hp_generate_grids.f90\nq-e-qe-7.5/HP/src/hp_init.f90\nq-e-qe-7.5/HP/src/hp_init_q.f90\nq-e-qe-7.5/HP/src/hp_load_q.f90\nq-e-qe-7.5/HP/src/hp_main.f90\nq-e-qe-7.5/HP/src/hp_ns_trace.f90\nq-e-qe-7.5/HP/src/hp_openfil_q.f90\nq-e-qe-7.5/HP/src/hp_postproc.f90\nq-e-qe-7.5/HP/src/hp_prepare_q.f90\nq-e-qe-7.5/HP/src/hp_print_clock.f90\nq-e-qe-7.5/HP/src/hp_psym_dmag.f90\nq-e-qe-7.5/HP/src/hp_psymdvscf.f90\nq-e-qe-7.5/HP/src/hp_q_points.f90\nq-e-qe-7.5/HP/src/hp_read_chi.f90\nq-e-qe-7.5/HP/src/hp_read_dnsq.f90\nq-e-qe-7.5/HP/src/hp_readin.f90\nq-e-qe-7.5/HP/src/hp_rotate_dnsq.f90\nq-e-qe-7.5/HP/src/hp_run_nscf.f90\nq-e-qe-7.5/HP/src/hp_setup_q.f90\nq-e-qe-7.5/HP/src/hp_solve_linear_system.f90\nq-e-qe-7.5/HP/src/hp_stop_smoothly.f90\nq-e-qe-7.5/HP/src/hp_summary.f90\nq-e-qe-7.5/HP/src/hp_summary_q.f90\nq-e-qe-7.5/HP/src/hp_sym_dmag.f90\nq-e-qe-7.5/HP/src/hp_symdnsq.f90\nq-e-qe-7.5/HP/src/hp_symdvscf.f90\nq-e-qe-7.5/HP/src/hp_write_chi.f90\nq-e-qe-7.5/HP/src/hp_write_chi_full.f90\nq-e-qe-7.5/HP/src/hp_write_dnsq.f90\nq-e-qe-7.5/HP/src/hpcom.f90\nq-e-qe-7.5/KCW/\nq-e-qe-7.5/KCW/CMakeLists.txt\nq-e-qe-7.5/KCW/Doc/\nq-e-qe-7.5/KCW/Doc/INPUT_kcw.def\nq-e-qe-7.5/KCW/Doc/INPUT_kcw.html\nq-e-qe-7.5/KCW/Doc/INPUT_kcw.txt\nq-e-qe-7.5/KCW/Doc/Makefile\nq-e-qe-7.5/KCW/Doc/input_xx.xsl\nq-e-qe-7.5/KCW/Makefile\nq-e-qe-7.5/KCW/PP/\nq-e-qe-7.5/KCW/PP/CMakeLists.txt\nq-e-qe-7.5/KCW/PP/Makefile\nq-e-qe-7.5/KCW/PP/bcast_kcw_pp_input.f90\nq-e-qe-7.5/KCW/PP/compute_self_hartree.f90\nq-e-qe-7.5/KCW/PP/input_pp_summary.f90\nq-e-qe-7.5/KCW/PP/interp_r_to_k.f90\nq-e-qe-7.5/KCW/PP/kcw_bands.f90\nq-e-qe-7.5/KCW/PP/kcw_pp_readin.f90\nq-e-qe-7.5/KCW/PP/makedeps.sh\nq-e-qe-7.5/KCW/PP/merge_Umat.f90\nq-e-qe-7.5/KCW/PP/merge_wann.f90\nq-e-qe-7.5/KCW/PP/read_hr.f90\nq-e-qe-7.5/KCW/PP/sh_setup.f90\nq-e-qe-7.5/KCW/PP/ups.f90\nq-e-qe-7.5/KCW/diff_7.2-7.1.txt\nq-e-qe-7.5/KCW/diff_wrt_v7.1.txt\nq-e-qe-7.5/KCW/examples/\nq-e-qe-7.5/KCW/examples/.gitignore\nq-e-qe-7.5/KCW/examples/example01/\nq-e-qe-7.5/KCW/examples/example01/README\nq-e-qe-7.5/KCW/examples/example01/compare.sh\nq-e-qe-7.5/KCW/examples/example01/reference/\nq-e-qe-7.5/KCW/examples/example01/reference/Si.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example01/reference/Si.kcw-screen.out\nq-e-qe-7.5/KCW/examples/example01/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example01/reference/Si.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example01/reference/Si.scf.out\nq-e-qe-7.5/KCW/examples/example01/reference/wann_emp/\nq-e-qe-7.5/KCW/examples/example01/reference/wann_emp/Si_emp.wout\nq-e-qe-7.5/KCW/examples/example01/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.5/KCW/examples/example01/reference/wann_occ/\nq-e-qe-7.5/KCW/examples/example01/reference/wann_occ/Si.wout\nq-e-qe-7.5/KCW/examples/example01/reference/wann_occ/Si_band.dat\nq-e-qe-7.5/KCW/examples/example01/run_example\nq-e-qe-7.5/KCW/examples/example01_sym/\nq-e-qe-7.5/KCW/examples/example01_sym/README\nq-e-qe-7.5/KCW/examples/example01_sym/compare.sh\nq-e-qe-7.5/KCW/examples/example01_sym/compare_nosym.sh\nq-e-qe-7.5/KCW/examples/example01_sym/reference/\nq-e-qe-7.5/KCW/examples/example01_sym/reference/Si.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example01_sym/reference/Si.kcw-screen.out\nq-e-qe-7.5/KCW/examples/example01_sym/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example01_sym/reference/Si.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example01_sym/reference/Si.scf.out\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_emp/\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_emp/Si_emp.wout\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_occ/\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_occ/Si.wout\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_occ/Si_band.dat\nq-e-qe-7.5/KCW/examples/example01_sym/run_example\nq-e-qe-7.5/KCW/examples/example02/\nq-e-qe-7.5/KCW/examples/example02/README\nq-e-qe-7.5/KCW/examples/example02/compare.sh\nq-e-qe-7.5/KCW/examples/example02/reference/\nq-e-qe-7.5/KCW/examples/example02/reference/h2o.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example02/reference/h2o.kcw-screen.out\nq-e-qe-7.5/KCW/examples/example02/reference/h2o.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example02/reference/h2o.scf.out\nq-e-qe-7.5/KCW/examples/example02/run_example\nq-e-qe-7.5/KCW/examples/example03/\nq-e-qe-7.5/KCW/examples/example03/compare.sh\nq-e-qe-7.5/KCW/examples/example03/reference/\nq-e-qe-7.5/KCW/examples/example03/reference/Si.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example03/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example03/reference/Si.kcwpp_bands.dat\nq-e-qe-7.5/KCW/examples/example03/reference/Si.kcwpp_interp.out\nq-e-qe-7.5/KCW/examples/example03/reference/Si.kcwpp_sh.out\nq-e-qe-7.5/KCW/examples/example03/reference/Si.scf.out\nq-e-qe-7.5/KCW/examples/example03/reference/wann_emp/\nq-e-qe-7.5/KCW/examples/example03/reference/wann_emp/Si_emp.wout\nq-e-qe-7.5/KCW/examples/example03/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.5/KCW/examples/example03/reference/wann_occ/\nq-e-qe-7.5/KCW/examples/example03/reference/wann_occ/Si.wout\nq-e-qe-7.5/KCW/examples/example03/reference/wann_occ/Si_band.dat\nq-e-qe-7.5/KCW/examples/example03/run_example\nq-e-qe-7.5/KCW/examples/example04/\nq-e-qe-7.5/KCW/examples/example04/README\nq-e-qe-7.5/KCW/examples/example04/compare.sh\nq-e-qe-7.5/KCW/examples/example04/reference/\nq-e-qe-7.5/KCW/examples/example04/reference/GaAs.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example04/reference/GaAs.nscf.out\nq-e-qe-7.5/KCW/examples/example04/reference/GaAs.scf.out\nq-e-qe-7.5/KCW/examples/example04/reference/kc.kho\nq-e-qe-7.5/KCW/examples/example04/reference/kc.w2ko\nq-e-qe-7.5/KCW/examples/example04/reference/merge_U.out\nq-e-qe-7.5/KCW/examples/example04/reference/merge_centres.out\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block1/\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block1/pw2wann.out\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block1/wann.wout\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block1/wann_band.dat\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block1/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block2/\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block2/pw2wann.out\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block2/wann.wout\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block2/wann_band.dat\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block2/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block3/\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block3/pw2wann.out\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block3/wann.wout\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block3/wann_band.dat\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block3/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference/wann_u.mat\nq-e-qe-7.5/KCW/examples/example04/reference_1block/\nq-e-qe-7.5/KCW/examples/example04/reference_1block/GaAs.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example04/reference_1block/GaAs.nscf.out\nq-e-qe-7.5/KCW/examples/example04/reference_1block/GaAs.scf.out\nq-e-qe-7.5/KCW/examples/example04/reference_1block/kc.kho\nq-e-qe-7.5/KCW/examples/example04/reference_1block/kc.w2ko\nq-e-qe-7.5/KCW/examples/example04/reference_1block/merge_U.out\nq-e-qe-7.5/KCW/examples/example04/reference_1block/merge_centres.out\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_block1/\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_block1/pw2wann.out\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_block1/wann.wout\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_block1/wann_band.dat\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_block1/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_u.mat\nq-e-qe-7.5/KCW/examples/example04/run_example\nq-e-qe-7.5/KCW/examples/example04/run_example_1block\nq-e-qe-7.5/KCW/examples/example05.1/\nq-e-qe-7.5/KCW/examples/example05.1/README.md\nq-e-qe-7.5/KCW/examples/example05.1/clean_all.sh\nq-e-qe-7.5/KCW/examples/example05.1/compare.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/CRASH\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/CRASH\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/.kc.w2ko.swp\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/pseudo/\nq-e-qe-7.5/KCW/examples/example05.1/pseudo/Si.upf\nq-e-qe-7.5/KCW/examples/example05.1/pseudo/Si_r.upf\nq-e-qe-7.5/KCW/examples/example05.1/run_all.sh\nq-e-qe-7.5/KCW/examples/example05/\nq-e-qe-7.5/KCW/examples/example05/compare.sh\nq-e-qe-7.5/KCW/examples/example05/reference/\nq-e-qe-7.5/KCW/examples/example05/reference/Si.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example05/reference/Si.kcw-screen.out\nq-e-qe-7.5/KCW/examples/example05/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example05/reference/Si.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example05/reference/Si.scf.out\nq-e-qe-7.5/KCW/examples/example05/reference/wann_emp/\nq-e-qe-7.5/KCW/examples/example05/reference/wann_emp/Si_emp.wout\nq-e-qe-7.5/KCW/examples/example05/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.5/KCW/examples/example05/reference/wann_occ/\nq-e-qe-7.5/KCW/examples/example05/reference/wann_occ/Si.wout\nq-e-qe-7.5/KCW/examples/example05/reference/wann_occ/Si_band.dat\nq-e-qe-7.5/KCW/examples/example05/run_example\nq-e-qe-7.5/KCW/examples/example06/\nq-e-qe-7.5/KCW/examples/example06/README\nq-e-qe-7.5/KCW/examples/example06/compare.sh\nq-e-qe-7.5/KCW/examples/example06/reference/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/file_alpharef.txt\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/merge_U.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/merge_U_emp.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/merge_centre.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/merge_centre_emp.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_emp_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_emp_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/cri3.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/cri3.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/cri3.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/file_alpharef.txt\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/merge_U.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/merge_U_emp.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/merge_centre.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/merge_centre_emp.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block1/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block1/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block2/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block2/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block3/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block3/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block4/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block4/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block5/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block5/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_emp_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_emp_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/cri3.scf.out\nq-e-qe-7.5/KCW/examples/example06/run_example\nq-e-qe-7.5/KCW/examples/run_all.sh\nq-e-qe-7.5/KCW/examples/test_io/\nq-e-qe-7.5/KCW/examples/test_io/README\nq-e-qe-7.5/KCW/examples/test_io/example01/\nq-e-qe-7.5/KCW/examples/test_io/example01/compare.sh\nq-e-qe-7.5/KCW/examples/test_io/example01/run_example\nq-e-qe-7.5/KCW/examples/test_io/example02/\nq-e-qe-7.5/KCW/examples/test_io/example02/compare.sh\nq-e-qe-7.5/KCW/examples/test_io/example02/run_example\nq-e-qe-7.5/KCW/examples/test_io/example03/\nq-e-qe-7.5/KCW/examples/test_io/example03/compare.sh\nq-e-qe-7.5/KCW/examples/test_io/example03/run_example\nq-e-qe-7.5/KCW/examples/test_io/run_all.sh\nq-e-qe-7.5/KCW/kcw.md\nq-e-qe-7.5/KCW/src/\nq-e-qe-7.5/KCW/src/CMakeLists.txt\nq-e-qe-7.5/KCW/src/Makefile\nq-e-qe-7.5/KCW/src/alpha_corr.f90\nq-e-qe-7.5/KCW/src/apply_u_matrix.f90\nq-e-qe-7.5/KCW/src/bare_pot.f90\nq-e-qe-7.5/KCW/src/bcast_kcw_input.f90\nq-e-qe-7.5/KCW/src/bcast_wfc.f90\nq-e-qe-7.5/KCW/src/calculate_phase.f90\nq-e-qe-7.5/KCW/src/clean_pw_kcw.f90\nq-e-qe-7.5/KCW/src/close_kcw.f90\nq-e-qe-7.5/KCW/src/compute_map_ikq.f90\nq-e-qe-7.5/KCW/src/compute_map_ikq_single.f90\nq-e-qe-7.5/KCW/src/convert_kpts_names.f90\nq-e-qe-7.5/KCW/src/coulomb.f90\nq-e-qe-7.5/KCW/src/find_IBZ_q.f90\nq-e-qe-7.5/KCW/src/full_ham.f90\nq-e-qe-7.5/KCW/src/group_orbitals.f90\nq-e-qe-7.5/KCW/src/ham_R0_2nd.f90\nq-e-qe-7.5/KCW/src/hamilt.f90\nq-e-qe-7.5/KCW/src/input_summary.f90\nq-e-qe-7.5/KCW/src/interpolation.f90\nq-e-qe-7.5/KCW/src/kcw.f90\nq-e-qe-7.5/KCW/src/kcw_R_points.f90\nq-e-qe-7.5/KCW/src/kcw_allocate_q.f90\nq-e-qe-7.5/KCW/src/kcw_comm.f90\nq-e-qe-7.5/KCW/src/kcw_deallocate_q.f90\nq-e-qe-7.5/KCW/src/kcw_deallocate_symmetry_arrays.f90\nq-e-qe-7.5/KCW/src/kcw_ham.f90\nq-e-qe-7.5/KCW/src/kcw_init_q.f90\nq-e-qe-7.5/KCW/src/kcw_initialize_ph.f90\nq-e-qe-7.5/KCW/src/kcw_io_new.f90\nq-e-qe-7.5/KCW/src/kcw_kpoint_grid.f90\nq-e-qe-7.5/KCW/src/kcw_openfilq.f90\nq-e-qe-7.5/KCW/src/kcw_prepare_q.f90\nq-e-qe-7.5/KCW/src/kcw_q_setup.f90\nq-e-qe-7.5/KCW/src/kcw_read_sym.f90\nq-e-qe-7.5/KCW/src/kcw_readin.f90\nq-e-qe-7.5/KCW/src/kcw_run_nscf.f90\nq-e-qe-7.5/KCW/src/kcw_screen.f90\nq-e-qe-7.5/KCW/src/kcw_setup.f90\nq-e-qe-7.5/KCW/src/kcw_setup_ham.f90\nq-e-qe-7.5/KCW/src/kcw_setup_screen.f90\nq-e-qe-7.5/KCW/src/kcw_write_sym.f90\nq-e-qe-7.5/KCW/src/koopmans_ham.f90\nq-e-qe-7.5/KCW/src/ks_hamiltonian.f90\nq-e-qe-7.5/KCW/src/makedeps.sh\nq-e-qe-7.5/KCW/src/print_clock_kcw.f90\nq-e-qe-7.5/KCW/src/read_alpha.f90\nq-e-qe-7.5/KCW/src/read_qlist_ibz.f90\nq-e-qe-7.5/KCW/src/read_wannier.f90\nq-e-qe-7.5/KCW/src/rho_of_q.f90\nq-e-qe-7.5/KCW/src/rotate_ks.f90\nq-e-qe-7.5/KCW/src/screen_coeff.f90\nq-e-qe-7.5/KCW/src/self_hartree.f90\nq-e-qe-7.5/KCW/src/setup_coulomb.f90\nq-e-qe-7.5/KCW/src/setup_coulomb_exx.f90\nq-e-qe-7.5/KCW/src/solve_linter_koop_mod.f90\nq-e-qe-7.5/KCW/src/structure_factor.f90\nq-e-qe-7.5/KCW/src/wann2kcw.f90\nq-e-qe-7.5/KCW/src/write_hr_to_file.f90\nq-e-qe-7.5/KCW/src/write_qlist_ibz.f90\nq-e-qe-7.5/KS_Solvers/\nq-e-qe-7.5/KS_Solvers/CG/\nq-e-qe-7.5/KS_Solvers/CG/Makefile\nq-e-qe-7.5/KS_Solvers/CG/ccgdiagg.f90\nq-e-qe-7.5/KS_Solvers/CG/rcgdiagg.f90\nq-e-qe-7.5/KS_Solvers/CMakeLists.txt\nq-e-qe-7.5/KS_Solvers/DENSE/\nq-e-qe-7.5/KS_Solvers/DENSE/Makefile\nq-e-qe-7.5/KS_Solvers/DENSE/gram_schmidt_gamma.f90\nq-e-qe-7.5/KS_Solvers/DENSE/gram_schmidt_k.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_HSpsi_gamma.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_HSpsi_k.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_driver.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_wfc_gamma.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_wfc_k.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_xpsi_gamma.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_xpsi_k.f90\nq-e-qe-7.5/KS_Solvers/Davidson/\nq-e-qe-7.5/KS_Solvers/Davidson/Makefile\nq-e-qe-7.5/KS_Solvers/Davidson/cegterg.f90\nq-e-qe-7.5/KS_Solvers/Davidson/cegterg_gpu.f90\nq-e-qe-7.5/KS_Solvers/Davidson/regterg.f90\nq-e-qe-7.5/KS_Solvers/Davidson/regterg_gpu.f90\nq-e-qe-7.5/KS_Solvers/Davidson_RCI/\nq-e-qe-7.5/KS_Solvers/Davidson_RCI/Makefile\nq-e-qe-7.5/KS_Solvers/Davidson_RCI/david_rci.f90\nq-e-qe-7.5/KS_Solvers/Makefile\nq-e-qe-7.5/KS_Solvers/PPCG_legacy/\nq-e-qe-7.5/KS_Solvers/PPCG_legacy/ppcg_gamma.f90\nq-e-qe-7.5/KS_Solvers/PPCG_legacy/ppcg_gamma_gpu.f90\nq-e-qe-7.5/KS_Solvers/PPCG_legacy/ppcg_k.f90\nq-e-qe-7.5/KS_Solvers/PPCG_legacy/ppcg_k_gpu.f90\nq-e-qe-7.5/KS_Solvers/ParO/\nq-e-qe-7.5/KS_Solvers/ParO/Makefile\nq-e-qe-7.5/KS_Solvers/ParO/bpcg_gamma.f90\nq-e-qe-7.5/KS_Solvers/ParO/bpcg_k.f90\nq-e-qe-7.5/KS_Solvers/ParO/paro_gamma.f90\nq-e-qe-7.5/KS_Solvers/ParO/paro_gamma_new.f90\nq-e-qe-7.5/KS_Solvers/ParO/paro_k.f90\nq-e-qe-7.5/KS_Solvers/ParO/paro_k_new.f90\nq-e-qe-7.5/KS_Solvers/ParO/pcg_gamma.f90\nq-e-qe-7.5/KS_Solvers/ParO/pcg_k.f90\nq-e-qe-7.5/KS_Solvers/RMM/\nq-e-qe-7.5/KS_Solvers/RMM/Makefile\nq-e-qe-7.5/KS_Solvers/RMM/crmmdiagg.f90\nq-e-qe-7.5/KS_Solvers/RMM/rrmmdiagg.f90\nq-e-qe-7.5/KS_Solvers/ks_solver_interfaces.h\nq-e-qe-7.5/LAXlib/\nq-e-qe-7.5/LAXlib/CMakeLists.txt\nq-e-qe-7.5/LAXlib/Makefile\nq-e-qe-7.5/LAXlib/README.TEST\nq-e-qe-7.5/LAXlib/cdiaghg.f90\nq-e-qe-7.5/LAXlib/distools.f90\nq-e-qe-7.5/LAXlib/dspev_drv.f90\nq-e-qe-7.5/LAXlib/la_error.f90\nq-e-qe-7.5/LAXlib/la_helper.f90\nq-e-qe-7.5/LAXlib/la_module.f90\nq-e-qe-7.5/LAXlib/la_param.f90\nq-e-qe-7.5/LAXlib/la_types.f90\nq-e-qe-7.5/LAXlib/laxlib.h\nq-e-qe-7.5/LAXlib/laxlib_hi.h\nq-e-qe-7.5/LAXlib/laxlib_kinds.h\nq-e-qe-7.5/LAXlib/laxlib_low.h\nq-e-qe-7.5/LAXlib/laxlib_mid.h\nq-e-qe-7.5/LAXlib/laxlib_param.h\nq-e-qe-7.5/LAXlib/mp_diag.f90\nq-e-qe-7.5/LAXlib/ptoolkit.f90\nq-e-qe-7.5/LAXlib/rdiaghg.f90\nq-e-qe-7.5/LAXlib/test.f90\nq-e-qe-7.5/LAXlib/tests/\nq-e-qe-7.5/LAXlib/tests/.gitattributes\nq-e-qe-7.5/LAXlib/tests/CMakeLists.txt\nq-e-qe-7.5/LAXlib/tests/Makefile\nq-e-qe-7.5/LAXlib/tests/README.md\nq-e-qe-7.5/LAXlib/tests/ZnOG1.bin\nq-e-qe-7.5/LAXlib/tests/ZnOG2.bin\nq-e-qe-7.5/LAXlib/tests/ZnOK1.bin\nq-e-qe-7.5/LAXlib/tests/ZnOK2.bin\nq-e-qe-7.5/LAXlib/tests/mp_world.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_1.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_2.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_3.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_4.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_gpu_1.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_gpu_2.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_gpu_3.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_gpu_4.f90\nq-e-qe-7.5/LAXlib/tests/test_helpers.f90\nq-e-qe-7.5/LAXlib/tests/test_io.f90\nq-e-qe-7.5/LAXlib/tests/test_lapack_zdotc.f90\nq-e-qe-7.5/LAXlib/tests/tester.f90\nq-e-qe-7.5/LAXlib/tests/utils.f90\nq-e-qe-7.5/LAXlib/transto.f90\nq-e-qe-7.5/LAXlib/zhpev_drv.f90\nq-e-qe-7.5/LR_Modules/\nq-e-qe-7.5/LR_Modules/CMakeLists.txt\nq-e-qe-7.5/LR_Modules/Coul_cut_2D_ph.f90\nq-e-qe-7.5/LR_Modules/Makefile\nq-e-qe-7.5/LR_Modules/adddvepsi_us.f90\nq-e-qe-7.5/LR_Modules/adddvhubscf.f90\nq-e-qe-7.5/LR_Modules/adddvscf.f90\nq-e-qe-7.5/LR_Modules/addusdbec.f90\nq-e-qe-7.5/LR_Modules/addusdbec_nc.f90\nq-e-qe-7.5/LR_Modules/addusddenseq.f90\nq-e-qe-7.5/LR_Modules/addusldos.f90\nq-e-qe-7.5/LR_Modules/apply_dpot.f90\nq-e-qe-7.5/LR_Modules/apply_dpot_mod.f90\nq-e-qe-7.5/LR_Modules/apply_trev.f90\nq-e-qe-7.5/LR_Modules/c_bands_ph.f90\nq-e-qe-7.5/LR_Modules/ccg_psi.f90\nq-e-qe-7.5/LR_Modules/ccgsolve_all.f90\nq-e-qe-7.5/LR_Modules/cft_wave.f90\nq-e-qe-7.5/LR_Modules/cg_psi.f90\nq-e-qe-7.5/LR_Modules/cgsolve_all.f90\nq-e-qe-7.5/LR_Modules/ch_psi_all.f90\nq-e-qe-7.5/LR_Modules/ch_psi_all_complex.f90\nq-e-qe-7.5/LR_Modules/check_q_points_sym.f90\nq-e-qe-7.5/LR_Modules/compute_vsgga.f90\nq-e-qe-7.5/LR_Modules/dfpt_tetra_mod.f90\nq-e-qe-7.5/LR_Modules/dgradcorr.f90\nq-e-qe-7.5/LR_Modules/dnonloccorr.f90\nq-e-qe-7.5/LR_Modules/dv_of_drho.f90\nq-e-qe-7.5/LR_Modules/dv_rVV10.f90\nq-e-qe-7.5/LR_Modules/dv_vdW_DF.f90\nq-e-qe-7.5/LR_Modules/dynmat_sub.f90\nq-e-qe-7.5/LR_Modules/efermi_shift.f90\nq-e-qe-7.5/LR_Modules/h_prec.f90\nq-e-qe-7.5/LR_Modules/incdrhoscf.f90\nq-e-qe-7.5/LR_Modules/incdrhoscf_nc.f90\nq-e-qe-7.5/LR_Modules/lanczos_nonhermitian.f90\nq-e-qe-7.5/LR_Modules/lanczos_nonhermitian_c.f90\nq-e-qe-7.5/LR_Modules/lanczos_pseudohermitian.f90\nq-e-qe-7.5/LR_Modules/lanczos_pseudohermitian_c.f90\nq-e-qe-7.5/LR_Modules/localdos.f90\nq-e-qe-7.5/LR_Modules/lr_addusddens.f90\nq-e-qe-7.5/LR_Modules/lr_dot.f90\nq-e-qe-7.5/LR_Modules/lr_dot_magnons.f90\nq-e-qe-7.5/LR_Modules/lr_nc_mag.f90\nq-e-qe-7.5/LR_Modules/lr_orthoUwfc.f90\nq-e-qe-7.5/LR_Modules/lr_sm1_psi.f90\nq-e-qe-7.5/LR_Modules/lr_sym_mod.f90\nq-e-qe-7.5/LR_Modules/lr_two_chem.f90\nq-e-qe-7.5/LR_Modules/lrcom.f90\nq-e-qe-7.5/LR_Modules/mix_pot.f90\nq-e-qe-7.5/LR_Modules/mode_group.f90\nq-e-qe-7.5/LR_Modules/newdq.f90\nq-e-qe-7.5/LR_Modules/non_scf_ph.f90\nq-e-qe-7.5/LR_Modules/orthogonalize.f90\nq-e-qe-7.5/LR_Modules/psymdvscf.f90\nq-e-qe-7.5/LR_Modules/qdipol_cryst.f90\nq-e-qe-7.5/LR_Modules/response_kernels.f90\nq-e-qe-7.5/LR_Modules/set_dbecsum_nc.f90\nq-e-qe-7.5/LR_Modules/set_int3_nc.f90\nq-e-qe-7.5/LR_Modules/set_intq_nc.f90\nq-e-qe-7.5/LR_Modules/set_kplusq_nc.f90\nq-e-qe-7.5/LR_Modules/set_small_group_of_q.f90\nq-e-qe-7.5/LR_Modules/setqmod.f90\nq-e-qe-7.5/LR_Modules/setup_alpha_pv.f90\nq-e-qe-7.5/LR_Modules/setup_dgc.f90\nq-e-qe-7.5/LR_Modules/setup_dmuxc.f90\nq-e-qe-7.5/LR_Modules/setup_nbnd_occ.f90\nq-e-qe-7.5/LR_Modules/setup_nscf.f90\nq-e-qe-7.5/LR_Modules/sgam_lr.f90\nq-e-qe-7.5/LR_Modules/smallgq.f90\nq-e-qe-7.5/LR_Modules/star_q.f90\nq-e-qe-7.5/LR_Modules/sym_def.f90\nq-e-qe-7.5/LR_Modules/sym_dmag.f90\nq-e-qe-7.5/LR_Modules/symdvscf.f90\nq-e-qe-7.5/License\nq-e-qe-7.5/Makefile\nq-e-qe-7.5/Modules/\nq-e-qe-7.5/Modules/CMakeLists.txt\nq-e-qe-7.5/Modules/Makefile\nq-e-qe-7.5/Modules/additional_kpoints.f90\nq-e-qe-7.5/Modules/allocate_fft_3drism.f90\nq-e-qe-7.5/Modules/atom_weight.f90\nq-e-qe-7.5/Modules/atomic_wfc_mod.f90\nq-e-qe-7.5/Modules/autopilot.f90\nq-e-qe-7.5/Modules/basic_algebra_routines.f90\nq-e-qe-7.5/Modules/becmod.f90\nq-e-qe-7.5/Modules/bfgs_module.f90\nq-e-qe-7.5/Modules/bspline.f90\nq-e-qe-7.5/Modules/bz_form.f90\nq-e-qe-7.5/Modules/capital.f90\nq-e-qe-7.5/Modules/cell_base.f90\nq-e-qe-7.5/Modules/cell_nose.f90\nq-e-qe-7.5/Modules/check_stop.f90\nq-e-qe-7.5/Modules/chempot.f90\nq-e-qe-7.5/Modules/chempot_lauerism.f90\nq-e-qe-7.5/Modules/closure.f90\nq-e-qe-7.5/Modules/command_line_options.f90\nq-e-qe-7.5/Modules/compute_dipole.f90\nq-e-qe-7.5/Modules/constants.f90\nq-e-qe-7.5/Modules/constraints_module.f90\nq-e-qe-7.5/Modules/control_flags.f90\nq-e-qe-7.5/Modules/copy_order_um_from_xml.f90\nq-e-qe-7.5/Modules/corrdipole_laue.f90\nq-e-qe-7.5/Modules/correctat0_vv.f90\nq-e-qe-7.5/Modules/corrgxy0_laue.f90\nq-e-qe-7.5/Modules/coulomb_vcut.f90\nq-e-qe-7.5/Modules/cryst_to_car.f90\nq-e-qe-7.5/Modules/cryst_to_car_2d.f90\nq-e-qe-7.5/Modules/customize_signals.c\nq-e-qe-7.5/Modules/data_structure_3drism.f90\nq-e-qe-7.5/Modules/date_and_tim.f90\nq-e-qe-7.5/Modules/deviatoric.f90\nq-e-qe-7.5/Modules/dist.f90\nq-e-qe-7.5/Modules/do_1drism.f90\nq-e-qe-7.5/Modules/do_3drism.f90\nq-e-qe-7.5/Modules/do_lauerism.f90\nq-e-qe-7.5/Modules/electrons_base.f90\nq-e-qe-7.5/Modules/environ_api_stub.f90\nq-e-qe-7.5/Modules/environ_base_module.f90\nq-e-qe-7.5/Modules/environment.f90\nq-e-qe-7.5/Modules/eqn_1drism.f90\nq-e-qe-7.5/Modules/eqn_3drism.f90\nq-e-qe-7.5/Modules/eqn_lauedipole.f90\nq-e-qe-7.5/Modules/eqn_lauegxy0.f90\nq-e-qe-7.5/Modules/eqn_lauelong.f90\nq-e-qe-7.5/Modules/eqn_lauerism.f90\nq-e-qe-7.5/Modules/eqn_laueshort.f90\nq-e-qe-7.5/Modules/eqn_lauevoid.f90\nq-e-qe-7.5/Modules/err_rism.f90\nq-e-qe-7.5/Modules/expint.f90\nq-e-qe-7.5/Modules/extffield.f90\nq-e-qe-7.5/Modules/fd_gradient.f90\nq-e-qe-7.5/Modules/fft_base.f90\nq-e-qe-7.5/Modules/fft_rho.f90\nq-e-qe-7.5/Modules/fft_wave.f90\nq-e-qe-7.5/Modules/fox_init_module.f90\nq-e-qe-7.5/Modules/fsockets.f90\nq-e-qe-7.5/Modules/funct.f90\nq-e-qe-7.5/Modules/generate_function.f90\nq-e-qe-7.5/Modules/generate_k_along_lines.f90\nq-e-qe-7.5/Modules/gradutils.f90\nq-e-qe-7.5/Modules/guess_3drism.f90\nq-e-qe-7.5/Modules/gvecw.f90\nq-e-qe-7.5/Modules/has_xml.f90\nq-e-qe-7.5/Modules/hdf5_qe.f90\nq-e-qe-7.5/Modules/init_1drism.f90\nq-e-qe-7.5/Modules/init_3drism.f90\nq-e-qe-7.5/Modules/inpfile.f90\nq-e-qe-7.5/Modules/input_1drism.f90\nq-e-qe-7.5/Modules/input_3drism.f90\nq-e-qe-7.5/Modules/input_parameters.f90\nq-e-qe-7.5/Modules/int_to_char.f90\nq-e-qe-7.5/Modules/invmat.f90\nq-e-qe-7.5/Modules/io_base.f90\nq-e-qe-7.5/Modules/io_files.f90\nq-e-qe-7.5/Modules/io_global.f90\nq-e-qe-7.5/Modules/io_rism_xml.f90\nq-e-qe-7.5/Modules/ions_base.f90\nq-e-qe-7.5/Modules/ions_nose.f90\nq-e-qe-7.5/Modules/kind.f90\nq-e-qe-7.5/Modules/latgen.f90\nq-e-qe-7.5/Modules/lauefft.f90\nq-e-qe-7.5/Modules/lauefft_subs.f90\nq-e-qe-7.5/Modules/linpack.f90\nq-e-qe-7.5/Modules/lj_forcefield.f90\nq-e-qe-7.5/Modules/lj_solute.f90\nq-e-qe-7.5/Modules/lmdif.f90\nq-e-qe-7.5/Modules/makov_payne.f90\nq-e-qe-7.5/Modules/matches.f90\nq-e-qe-7.5/Modules/mbdlib.f90\nq-e-qe-7.5/Modules/mdiis.f90\nq-e-qe-7.5/Modules/mm_dispersion.f90\nq-e-qe-7.5/Modules/molebridge_vv.f90\nq-e-qe-7.5/Modules/molecorr_vv.f90\nq-e-qe-7.5/Modules/molecule_const.f90\nq-e-qe-7.5/Modules/molecule_types.f90\nq-e-qe-7.5/Modules/more_functionals.f90\nq-e-qe-7.5/Modules/mp_bands.f90\nq-e-qe-7.5/Modules/mp_exx.f90\nq-e-qe-7.5/Modules/mp_global.f90\nq-e-qe-7.5/Modules/mp_images.f90\nq-e-qe-7.5/Modules/mp_pools.f90\nq-e-qe-7.5/Modules/mp_rism.f90\nq-e-qe-7.5/Modules/mp_swap_ax_rism.f90\nq-e-qe-7.5/Modules/mp_wave.f90\nq-e-qe-7.5/Modules/mp_world.f90\nq-e-qe-7.5/Modules/noncol.f90\nq-e-qe-7.5/Modules/normalize_lauerism.f90\nq-e-qe-7.5/Modules/open_close_input_file.f90\nq-e-qe-7.5/Modules/parameters.f90\nq-e-qe-7.5/Modules/parser.f90\nq-e-qe-7.5/Modules/plot_io.f90\nq-e-qe-7.5/Modules/plot_rism.f90\nq-e-qe-7.5/Modules/plugin_arguments.f90\nq-e-qe-7.5/Modules/plugin_flags.f90\nq-e-qe-7.5/Modules/plugin_variables.f90\nq-e-qe-7.5/Modules/potential_3drism.f90\nq-e-qe-7.5/Modules/potential_esm.f90\nq-e-qe-7.5/Modules/potential_vv.f90\nq-e-qe-7.5/Modules/print_chempot_3drism.f90\nq-e-qe-7.5/Modules/print_chempot_lauerism.f90\nq-e-qe-7.5/Modules/print_chempot_vv.f90\nq-e-qe-7.5/Modules/print_corr_vv.f90\nq-e-qe-7.5/Modules/print_solvavg.f90\nq-e-qe-7.5/Modules/printout_base.f90\nq-e-qe-7.5/Modules/pw_dot.f90\nq-e-qe-7.5/Modules/qeh5_module.f90\nq-e-qe-7.5/Modules/qes_bcast_module.f90\nq-e-qe-7.5/Modules/qes_init_module.f90\nq-e-qe-7.5/Modules/qes_libs_module.f90\nq-e-qe-7.5/Modules/qes_read_module.f90\nq-e-qe-7.5/Modules/qes_reset_module.f90\nq-e-qe-7.5/Modules/qes_types_module.f90\nq-e-qe-7.5/Modules/qes_write_module.f90\nq-e-qe-7.5/Modules/qexsd.f90\nq-e-qe-7.5/Modules/qexsd_copy.f90\nq-e-qe-7.5/Modules/qexsd_init.f90\nq-e-qe-7.5/Modules/qexsd_input.f90\nq-e-qe-7.5/Modules/qmmm.f90\nq-e-qe-7.5/Modules/qmmm_aux.c\nq-e-qe-7.5/Modules/radfft.f90\nq-e-qe-7.5/Modules/radial_gradients.f90\nq-e-qe-7.5/Modules/random_numbers.f90\nq-e-qe-7.5/Modules/random_numbers_gpu.f90\nq-e-qe-7.5/Modules/read_cards.f90\nq-e-qe-7.5/Modules/read_input.f90\nq-e-qe-7.5/Modules/read_mol.f90\nq-e-qe-7.5/Modules/read_namelists.f90\nq-e-qe-7.5/Modules/read_pseudo.f90\nq-e-qe-7.5/Modules/read_solv.f90\nq-e-qe-7.5/Modules/recips.f90\nq-e-qe-7.5/Modules/recvec.f90\nq-e-qe-7.5/Modules/recvec_3drism.f90\nq-e-qe-7.5/Modules/recvec_subs.f90\nq-e-qe-7.5/Modules/remove_tot_torque.f90\nq-e-qe-7.5/Modules/rgen.f90\nq-e-qe-7.5/Modules/rism.f90\nq-e-qe-7.5/Modules/rism1d_facade.f90\nq-e-qe-7.5/Modules/rism3d_facade.f90\nq-e-qe-7.5/Modules/rms_residual.f90\nq-e-qe-7.5/Modules/run_info.f90\nq-e-qe-7.5/Modules/scale_fft_3drism.f90\nq-e-qe-7.5/Modules/scale_fft_lauerism.f90\nq-e-qe-7.5/Modules/set_para_diag.f90\nq-e-qe-7.5/Modules/set_signal.f90\nq-e-qe-7.5/Modules/set_vdw_corr.f90\nq-e-qe-7.5/Modules/setqf.f90\nq-e-qe-7.5/Modules/sockets.c\nq-e-qe-7.5/Modules/solute.f90\nq-e-qe-7.5/Modules/solvation_3drism.f90\nq-e-qe-7.5/Modules/solvation_esm.f90\nq-e-qe-7.5/Modules/solvation_force.f90\nq-e-qe-7.5/Modules/solvation_lauerism.f90\nq-e-qe-7.5/Modules/solvation_pbc.f90\nq-e-qe-7.5/Modules/solvation_stress.f90\nq-e-qe-7.5/Modules/solvavg.f90\nq-e-qe-7.5/Modules/solvmol.f90\nq-e-qe-7.5/Modules/sort.f90\nq-e-qe-7.5/Modules/space_group.f90\nq-e-qe-7.5/Modules/summary_1drism.f90\nq-e-qe-7.5/Modules/summary_3drism.f90\nq-e-qe-7.5/Modules/suscept_g0.f90\nq-e-qe-7.5/Modules/suscept_laue.f90\nq-e-qe-7.5/Modules/suscept_laueint.f90\nq-e-qe-7.5/Modules/suscept_vv.f90\nq-e-qe-7.5/Modules/test_input_file.f90\nq-e-qe-7.5/Modules/timestep.f90\nq-e-qe-7.5/Modules/trimcheck.f90\nq-e-qe-7.5/Modules/tsvdw.f90\nq-e-qe-7.5/Modules/version.f90\nq-e-qe-7.5/Modules/volume.f90\nq-e-qe-7.5/Modules/w0gauss.f90\nq-e-qe-7.5/Modules/w1gauss.f90\nq-e-qe-7.5/Modules/wannier_gw.f90\nq-e-qe-7.5/Modules/wannier_new.f90\nq-e-qe-7.5/Modules/wave_gauge.f90\nq-e-qe-7.5/Modules/wavefunctions.f90\nq-e-qe-7.5/Modules/wgauss.f90\nq-e-qe-7.5/Modules/write_rism_type.f90\nq-e-qe-7.5/Modules/ws_base.f90\nq-e-qe-7.5/Modules/wyckoff.f90\nq-e-qe-7.5/Modules/wypos.f90\nq-e-qe-7.5/Modules/xc_rVV10.f90\nq-e-qe-7.5/Modules/xc_vdW_DF.f90\nq-e-qe-7.5/Modules/xml_io_rism.f90\nq-e-qe-7.5/Modules/xsf.f90\nq-e-qe-7.5/Modules/zvscal.f90\nq-e-qe-7.5/NEB/\nq-e-qe-7.5/NEB/CMakeLists.txt\nq-e-qe-7.5/NEB/Doc/\nq-e-qe-7.5/NEB/Doc/INPUT_NEB.def\nq-e-qe-7.5/NEB/Doc/INPUT_NEB.html\nq-e-qe-7.5/NEB/Doc/INPUT_NEB.txt\nq-e-qe-7.5/NEB/Doc/Makefile\nq-e-qe-7.5/NEB/Doc/user_guide.pdf\nq-e-qe-7.5/NEB/Doc/user_guide.tex\nq-e-qe-7.5/NEB/Makefile\nq-e-qe-7.5/NEB/examples/\nq-e-qe-7.5/NEB/examples/ESM_example/\nq-e-qe-7.5/NEB/examples/ESM_example/README\nq-e-qe-7.5/NEB/examples/ESM_example/reference/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.axsf\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.crd\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.dat\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.int\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.path\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.xyz\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/Al001+H_FCP_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/Al001+H_FCP_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/Al001+H_FCP_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/Al001+H_FCP_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/Al001+H_FCP_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/Al001+H_FCP_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/Al001+H_FCP_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/Al001+H_FCP_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/Al001+H_FCP_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/Al001+H_FCP_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.axsf\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.crd\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.dat\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.int\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.path\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.xyz\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.axsf\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.crd\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.dat\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.int\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.path\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.xyz\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_1/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_1/Al001+H_bc3.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_1/Al001+H_bc3.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_2/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_2/Al001+H_bc3.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_2/Al001+H_bc3.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_3/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_3/Al001+H_bc3.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_3/Al001+H_bc3.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_4/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_4/Al001+H_bc3.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_4/Al001+H_bc3.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_5/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_5/Al001+H_bc3.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_5/Al001+H_bc3.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.axsf\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.crd\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.dat\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.int\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.path\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.xyz\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/Al001+H_bc3_n215.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/Al001+H_bc3_n215.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/Al001+H_bc3_n215.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/Al001+H_bc3_n215.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/Al001+H_bc3_n215.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/Al001+H_bc3_n215.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/Al001+H_bc3_n215.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/Al001+H_bc3_n215.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/Al001+H_bc3_n215.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/Al001+H_bc3_n215.xml\nq-e-qe-7.5/NEB/examples/ESM_example/run_example\nq-e-qe-7.5/NEB/examples/ESM_example/run_example_ESM\nq-e-qe-7.5/NEB/examples/ESM_example/run_example_FCP\nq-e-qe-7.5/NEB/examples/ESM_example/run_example_GCSCF\nq-e-qe-7.5/NEB/examples/check-neb.x.j\nq-e-qe-7.5/NEB/examples/clean_all\nq-e-qe-7.5/NEB/examples/example01/\nq-e-qe-7.5/NEB/examples/example01/README\nq-e-qe-7.5/NEB/examples/example01/reference/\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.axsf\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.dat\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.int\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.out\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.path\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.xyz\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.axsf\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.dat\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.int\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.out\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.path\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.xyz\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.axsf\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.dat\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.int\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.out\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.path\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.xyz\nq-e-qe-7.5/NEB/examples/example01/run_example\nq-e-qe-7.5/NEB/examples/neb0.in\nq-e-qe-7.5/NEB/examples/neb0.ref\nq-e-qe-7.5/NEB/examples/neb1.in\nq-e-qe-7.5/NEB/examples/neb1.ref\nq-e-qe-7.5/NEB/examples/neb2.in\nq-e-qe-7.5/NEB/examples/neb2.ref\nq-e-qe-7.5/NEB/src/\nq-e-qe-7.5/NEB/src/Makefile\nq-e-qe-7.5/NEB/src/bcast_file.f90\nq-e-qe-7.5/NEB/src/compute_scf.f90\nq-e-qe-7.5/NEB/src/engine_to_path_alat.f90\nq-e-qe-7.5/NEB/src/engine_to_path_fix_atom_pos.f90\nq-e-qe-7.5/NEB/src/engine_to_path_nat.f90\nq-e-qe-7.5/NEB/src/engine_to_path_pos.f90\nq-e-qe-7.5/NEB/src/engine_to_path_tot_charge.f90\nq-e-qe-7.5/NEB/src/fcp_opt_routines.f90\nq-e-qe-7.5/NEB/src/fcp_variables.f90\nq-e-qe-7.5/NEB/src/gcscf_variables.f90\nq-e-qe-7.5/NEB/src/neb.f90\nq-e-qe-7.5/NEB/src/neb_input.f90\nq-e-qe-7.5/NEB/src/path_base.f90\nq-e-qe-7.5/NEB/src/path_formats.f90\nq-e-qe-7.5/NEB/src/path_gen_inputs.f90\nq-e-qe-7.5/NEB/src/path_input_parameters_module.f90\nq-e-qe-7.5/NEB/src/path_interpolation.f90\nq-e-qe-7.5/NEB/src/path_io_routines.f90\nq-e-qe-7.5/NEB/src/path_io_tools.f90\nq-e-qe-7.5/NEB/src/path_io_units_module.f90\nq-e-qe-7.5/NEB/src/path_opt_routines.f90\nq-e-qe-7.5/NEB/src/path_read_cards_module.f90\nq-e-qe-7.5/NEB/src/path_read_namelists_module.f90\nq-e-qe-7.5/NEB/src/path_reparametrisation.f90\nq-e-qe-7.5/NEB/src/path_to_engine_fix_atom_pos.f90\nq-e-qe-7.5/NEB/src/path_variables.f90\nq-e-qe-7.5/NEB/src/set_defaults.f90\nq-e-qe-7.5/NEB/src/stop_run_path.f90\nq-e-qe-7.5/NEB/tools/\nq-e-qe-7.5/NEB/tools/path_interpolation.sh\nq-e-qe-7.5/NEB/tools/path_merge.sh\nq-e-qe-7.5/PHonon/\nq-e-qe-7.5/PHonon/CMakeLists.txt\nq-e-qe-7.5/PHonon/Doc/\nq-e-qe-7.5/PHonon/Doc/INPUT_DYNMAT.def\nq-e-qe-7.5/PHonon/Doc/INPUT_DYNMAT.html\nq-e-qe-7.5/PHonon/Doc/INPUT_DYNMAT.txt\nq-e-qe-7.5/PHonon/Doc/INPUT_DYNMAT.xml\nq-e-qe-7.5/PHonon/Doc/INPUT_Gamma\nq-e-qe-7.5/PHonon/Doc/INPUT_MATDYN.def\nq-e-qe-7.5/PHonon/Doc/INPUT_MATDYN.html\nq-e-qe-7.5/PHonon/Doc/INPUT_MATDYN.txt\nq-e-qe-7.5/PHonon/Doc/INPUT_MATDYN.xml\nq-e-qe-7.5/PHonon/Doc/INPUT_PH.def\nq-e-qe-7.5/PHonon/Doc/INPUT_PH.html\nq-e-qe-7.5/PHonon/Doc/INPUT_PH.txt\nq-e-qe-7.5/PHonon/Doc/INPUT_PH.xml\nq-e-qe-7.5/PHonon/Doc/INPUT_POSTAHC.def\nq-e-qe-7.5/PHonon/Doc/INPUT_POSTAHC.html\nq-e-qe-7.5/PHonon/Doc/INPUT_POSTAHC.txt\nq-e-qe-7.5/PHonon/Doc/INPUT_POSTAHC.xml\nq-e-qe-7.5/PHonon/Doc/INPUT_Q2R.def\nq-e-qe-7.5/PHonon/Doc/INPUT_Q2R.html\nq-e-qe-7.5/PHonon/Doc/INPUT_Q2R.txt\nq-e-qe-7.5/PHonon/Doc/INPUT_Q2R.xml\nq-e-qe-7.5/PHonon/Doc/Makefile\nq-e-qe-7.5/PHonon/Doc/developer_man.pdf\nq-e-qe-7.5/PHonon/Doc/dfpt_self_energy.pdf\nq-e-qe-7.5/PHonon/Doc/dfpt_self_energy.tex\nq-e-qe-7.5/PHonon/Doc/dfpt_tetra.pdf\nq-e-qe-7.5/PHonon/Doc/dfpt_tetra.tex\nq-e-qe-7.5/PHonon/Doc/input_xx.xsl\nq-e-qe-7.5/PHonon/Doc/pic/\nq-e-qe-7.5/PHonon/Doc/pic/elph_tetra.pdf\nq-e-qe-7.5/PHonon/Doc/user_guide.pdf\nq-e-qe-7.5/PHonon/Doc/user_guide.tex\nq-e-qe-7.5/PHonon/FD/\nq-e-qe-7.5/PHonon/FD/Makefile\nq-e-qe-7.5/PHonon/FD/example/\nq-e-qe-7.5/PHonon/FD/example/README\nq-e-qe-7.5/PHonon/FD/example/Si_example/\nq-e-qe-7.5/PHonon/FD/example/Si_example/fd.in\nq-e-qe-7.5/PHonon/FD/example/Si_example/fd_ifc.in\nq-e-qe-7.5/PHonon/FD/example/Si_example/run_fd\nq-e-qe-7.5/PHonon/FD/example/Si_example/si.scf.in\nq-e-qe-7.5/PHonon/FD/fd.f90\nq-e-qe-7.5/PHonon/FD/fd_ef.f90\nq-e-qe-7.5/PHonon/FD/fd_ifc.f90\nq-e-qe-7.5/PHonon/FD/run_fd\nq-e-qe-7.5/PHonon/FD/stop_pp.f90\nq-e-qe-7.5/PHonon/Ford.md\nq-e-qe-7.5/PHonon/Ford/\nq-e-qe-7.5/PHonon/Ford/index.md\nq-e-qe-7.5/PHonon/Gamma/\nq-e-qe-7.5/PHonon/Gamma/Makefile\nq-e-qe-7.5/PHonon/Gamma/a_h.f90\nq-e-qe-7.5/PHonon/Gamma/cg_readin.f90\nq-e-qe-7.5/PHonon/Gamma/cg_setup.f90\nq-e-qe-7.5/PHonon/Gamma/cgcom.f90\nq-e-qe-7.5/PHonon/Gamma/cgsolve.f90\nq-e-qe-7.5/PHonon/Gamma/d2ion.f90\nq-e-qe-7.5/PHonon/Gamma/dgradcorr.f90\nq-e-qe-7.5/PHonon/Gamma/dielec.f90\nq-e-qe-7.5/PHonon/Gamma/drhodv.f90\nq-e-qe-7.5/PHonon/Gamma/dvb_cc.f90\nq-e-qe-7.5/PHonon/Gamma/dvpsi_e.f90\nq-e-qe-7.5/PHonon/Gamma/dvpsi_kb.f90\nq-e-qe-7.5/PHonon/Gamma/dyndiar.f90\nq-e-qe-7.5/PHonon/Gamma/dynmat_init.f90\nq-e-qe-7.5/PHonon/Gamma/dynmatcc.f90\nq-e-qe-7.5/PHonon/Gamma/find_equiv_sites.f90\nq-e-qe-7.5/PHonon/Gamma/generate_dynamical_matrix.f90\nq-e-qe-7.5/PHonon/Gamma/generate_effective_charges.f90\nq-e-qe-7.5/PHonon/Gamma/h_h.f90\nq-e-qe-7.5/PHonon/Gamma/macro.f90\nq-e-qe-7.5/PHonon/Gamma/phcg.f90\nq-e-qe-7.5/PHonon/Gamma/rhod2vkb.f90\nq-e-qe-7.5/PHonon/Gamma/solve_e.f90\nq-e-qe-7.5/PHonon/Gamma/solve_ph.f90\nq-e-qe-7.5/PHonon/Gamma/writedyn.f90\nq-e-qe-7.5/PHonon/Makefile\nq-e-qe-7.5/PHonon/PH/\nq-e-qe-7.5/PHonon/PH/Makefile\nq-e-qe-7.5/PHonon/PH/acfdtest.f90\nq-e-qe-7.5/PHonon/PH/add_dkmds.f90\nq-e-qe-7.5/PHonon/PH/add_for_charges.f90\nq-e-qe-7.5/PHonon/PH/add_zstar_ue.f90\nq-e-qe-7.5/PHonon/PH/add_zstar_ue_us.f90\nq-e-qe-7.5/PHonon/PH/addcore.f90\nq-e-qe-7.5/PHonon/PH/addnlcc_zstar_eu_us.f90\nq-e-qe-7.5/PHonon/PH/addusddens.f90\nq-e-qe-7.5/PHonon/PH/addusddens_cond.f90\nq-e-qe-7.5/PHonon/PH/addusddense.f90\nq-e-qe-7.5/PHonon/PH/addusdynmat.f90\nq-e-qe-7.5/PHonon/PH/ahc.f90\nq-e-qe-7.5/PHonon/PH/allocate_part.f90\nq-e-qe-7.5/PHonon/PH/allocate_pert.f90\nq-e-qe-7.5/PHonon/PH/allocate_phq.f90\nq-e-qe-7.5/PHonon/PH/alpha2f.f90\nq-e-qe-7.5/PHonon/PH/bcast_ph_input.f90\nq-e-qe-7.5/PHonon/PH/cch_psi_all.f90\nq-e-qe-7.5/PHonon/PH/check_if_partial_dyn.f90\nq-e-qe-7.5/PHonon/PH/check_initial_status.f90\nq-e-qe-7.5/PHonon/PH/check_restart_recover.f90\nq-e-qe-7.5/PHonon/PH/chi_test.f90\nq-e-qe-7.5/PHonon/PH/clean_pw_ph.f90\nq-e-qe-7.5/PHonon/PH/clinear.f90\nq-e-qe-7.5/PHonon/PH/close_phq.f90\nq-e-qe-7.5/PHonon/PH/compute_alphasum.f90\nq-e-qe-7.5/PHonon/PH/compute_alphasum_cond.f90\nq-e-qe-7.5/PHonon/PH/compute_becalp.f90\nq-e-qe-7.5/PHonon/PH/compute_becsum_ph.f90\nq-e-qe-7.5/PHonon/PH/compute_becsum_ph_cond.f90\nq-e-qe-7.5/PHonon/PH/compute_drhous.f90\nq-e-qe-7.5/PHonon/PH/compute_drhous_nc.f90\nq-e-qe-7.5/PHonon/PH/compute_dvloc.f90\nq-e-qe-7.5/PHonon/PH/compute_nldyn.f90\nq-e-qe-7.5/PHonon/PH/compute_weight.f90\nq-e-qe-7.5/PHonon/PH/d2ionq.f90\nq-e-qe-7.5/PHonon/PH/d2ionq_disp.f90\nq-e-qe-7.5/PHonon/PH/d2mxc.f90\nq-e-qe-7.5/PHonon/PH/d2nsq_bare.f90\nq-e-qe-7.5/PHonon/PH/davcio_drho.f90\nq-e-qe-7.5/PHonon/PH/deallocate_part.f90\nq-e-qe-7.5/PHonon/PH/deallocate_phq.f90\nq-e-qe-7.5/PHonon/PH/delta_sphi.f90\nq-e-qe-7.5/PHonon/PH/dfile_autoname.f90\nq-e-qe-7.5/PHonon/PH/dfile_star.f90\nq-e-qe-7.5/PHonon/PH/dfpt_kernels.f90\nq-e-qe-7.5/PHonon/PH/dhdrhopsi.f90\nq-e-qe-7.5/PHonon/PH/dielec.f90\nq-e-qe-7.5/PHonon/PH/dielec_test.f90\nq-e-qe-7.5/PHonon/PH/dnsq_bare.f90\nq-e-qe-7.5/PHonon/PH/dnsq_orth.f90\nq-e-qe-7.5/PHonon/PH/dnsq_orth_set_irr.f90\nq-e-qe-7.5/PHonon/PH/dnsq_scf.f90\nq-e-qe-7.5/PHonon/PH/do_phonon.f90\nq-e-qe-7.5/PHonon/PH/do_q2r.f90\nq-e-qe-7.5/PHonon/PH/dpsi_orth.f90\nq-e-qe-7.5/PHonon/PH/drho.f90\nq-e-qe-7.5/PHonon/PH/drhodv.f90\nq-e-qe-7.5/PHonon/PH/drhodvloc.f90\nq-e-qe-7.5/PHonon/PH/drhodvnl.f90\nq-e-qe-7.5/PHonon/PH/drhodvus.f90\nq-e-qe-7.5/PHonon/PH/dump_drho.f90\nq-e-qe-7.5/PHonon/PH/dvanqq.f90\nq-e-qe-7.5/PHonon/PH/dvkb3.f90\nq-e-qe-7.5/PHonon/PH/dvpsi_e.f90\nq-e-qe-7.5/PHonon/PH/dvpsi_e2.f90\nq-e-qe-7.5/PHonon/PH/dvqhub_barepsi_us.f90\nq-e-qe-7.5/PHonon/PH/dvqhub_barepsi_us2.f90\nq-e-qe-7.5/PHonon/PH/dvqpsi_us.f90\nq-e-qe-7.5/PHonon/PH/dvqpsi_us_only.f90\nq-e-qe-7.5/PHonon/PH/dvscf_interpolate.f90\nq-e-qe-7.5/PHonon/PH/dvscf_q2r.f90\nq-e-qe-7.5/PHonon/PH/dwfc.f90\nq-e-qe-7.5/PHonon/PH/dyndia.f90\nq-e-qe-7.5/PHonon/PH/dynmat.f90\nq-e-qe-7.5/PHonon/PH/dynmat0.f90\nq-e-qe-7.5/PHonon/PH/dynmat_hub_bare.f90\nq-e-qe-7.5/PHonon/PH/dynmat_hub_scf.f90\nq-e-qe-7.5/PHonon/PH/dynmat_nlcc.f90\nq-e-qe-7.5/PHonon/PH/dynmat_us.f90\nq-e-qe-7.5/PHonon/PH/dynmatcc.f90\nq-e-qe-7.5/PHonon/PH/dynmatrix.f90\nq-e-qe-7.5/PHonon/PH/el_opt.f90\nq-e-qe-7.5/PHonon/PH/el_ph_collect.f90\nq-e-qe-7.5/PHonon/PH/elph.f90\nq-e-qe-7.5/PHonon/PH/elph_scdft_mod.f90\nq-e-qe-7.5/PHonon/PH/elph_tetra_mod.f90\nq-e-qe-7.5/PHonon/PH/elphon.f90\nq-e-qe-7.5/PHonon/PH/ep_matrix_element_wannier.f90\nq-e-qe-7.5/PHonon/PH/epa.f90\nq-e-qe-7.5/PHonon/PH/find_equiv_sites.f90\nq-e-qe-7.5/PHonon/PH/find_irrep.f90\nq-e-qe-7.5/PHonon/PH/find_mode_sym.f90\nq-e-qe-7.5/PHonon/PH/fqha.f90\nq-e-qe-7.5/PHonon/PH/generate_dynamical_matrix_c.f90\nq-e-qe-7.5/PHonon/PH/generate_effective_charges_c.f90\nq-e-qe-7.5/PHonon/PH/gmressolve_all.f90\nq-e-qe-7.5/PHonon/PH/hdiag.f90\nq-e-qe-7.5/PHonon/PH/incdrhous.f90\nq-e-qe-7.5/PHonon/PH/incdrhous_nc.f90\nq-e-qe-7.5/PHonon/PH/init_representations.f90\nq-e-qe-7.5/PHonon/PH/initialize_ph.f90\nq-e-qe-7.5/PHonon/PH/io_dyn_mat.f90\nq-e-qe-7.5/PHonon/PH/io_dyn_mat_old.f90\nq-e-qe-7.5/PHonon/PH/io_pattern.f90\nq-e-qe-7.5/PHonon/PH/lambda.f90\nq-e-qe-7.5/PHonon/PH/matdyn.f90\nq-e-qe-7.5/PHonon/PH/obsolete.f90\nq-e-qe-7.5/PHonon/PH/openfilq.f90\nq-e-qe-7.5/PHonon/PH/pcgreen.f90\nq-e-qe-7.5/PHonon/PH/ph_restart.f90\nq-e-qe-7.5/PHonon/PH/ph_set_upert.f90\nq-e-qe-7.5/PHonon/PH/phcom.f90\nq-e-qe-7.5/PHonon/PH/phescf.f90\nq-e-qe-7.5/PHonon/PH/phonon.f90\nq-e-qe-7.5/PHonon/PH/phq_init.f90\nq-e-qe-7.5/PHonon/PH/phq_readin.f90\nq-e-qe-7.5/PHonon/PH/phq_recover.f90\nq-e-qe-7.5/PHonon/PH/phq_setup.f90\nq-e-qe-7.5/PHonon/PH/phq_summary.f90\nq-e-qe-7.5/PHonon/PH/phqscf.f90\nq-e-qe-7.5/PHonon/PH/polariz.f90\nq-e-qe-7.5/PHonon/PH/postahc.f90\nq-e-qe-7.5/PHonon/PH/prepare_q.f90\nq-e-qe-7.5/PHonon/PH/prepare_sym_analysis.f90\nq-e-qe-7.5/PHonon/PH/print_clock_ph.f90\nq-e-qe-7.5/PHonon/PH/psidspsi.f90\nq-e-qe-7.5/PHonon/PH/psyme2.f90\nq-e-qe-7.5/PHonon/PH/punch_plot_e.f90\nq-e-qe-7.5/PHonon/PH/q2qstar.f90\nq-e-qe-7.5/PHonon/PH/q2qstar_ph.f90\nq-e-qe-7.5/PHonon/PH/q2r.f90\nq-e-qe-7.5/PHonon/PH/q_points.f90\nq-e-qe-7.5/PHonon/PH/q_points_wannier.f90\nq-e-qe-7.5/PHonon/PH/raman.f90\nq-e-qe-7.5/PHonon/PH/raman_mat.f90\nq-e-qe-7.5/PHonon/PH/ramanm.f90\nq-e-qe-7.5/PHonon/PH/random_matrix.f90\nq-e-qe-7.5/PHonon/PH/read_wfc_rspace_and_fwfft.f90\nq-e-qe-7.5/PHonon/PH/rigid.f90\nq-e-qe-7.5/PHonon/PH/rotate_and_add_dyn.f90\nq-e-qe-7.5/PHonon/PH/rotate_dvscf_star.f90\nq-e-qe-7.5/PHonon/PH/rotate_pattern_add.f90\nq-e-qe-7.5/PHonon/PH/run_nscf.f90\nq-e-qe-7.5/PHonon/PH/save_ph_input.f90\nq-e-qe-7.5/PHonon/PH/set_asr_c.f90\nq-e-qe-7.5/PHonon/PH/set_drhoc.f90\nq-e-qe-7.5/PHonon/PH/set_dvscf.f90\nq-e-qe-7.5/PHonon/PH/set_int12_nc.f90\nq-e-qe-7.5/PHonon/PH/set_irr.f90\nq-e-qe-7.5/PHonon/PH/set_irr_nosym.f90\nq-e-qe-7.5/PHonon/PH/set_irr_sym.f90\nq-e-qe-7.5/PHonon/PH/setlocq.f90\nq-e-qe-7.5/PHonon/PH/solve_e.f90\nq-e-qe-7.5/PHonon/PH/solve_e2.f90\nq-e-qe-7.5/PHonon/PH/solve_e_fpol.f90\nq-e-qe-7.5/PHonon/PH/solve_e_nscf.f90\nq-e-qe-7.5/PHonon/PH/solve_linter.f90\nq-e-qe-7.5/PHonon/PH/stop_ph.f90\nq-e-qe-7.5/PHonon/PH/summarize.f90\nq-e-qe-7.5/PHonon/PH/swfc.f90\nq-e-qe-7.5/PHonon/PH/sym_and_write_zue.f90\nq-e-qe-7.5/PHonon/PH/sym_dns.f90\nq-e-qe-7.5/PHonon/PH/sym_dns_wrapper.f90\nq-e-qe-7.5/PHonon/PH/symdyn_munu.f90\nq-e-qe-7.5/PHonon/PH/symdynph_gq.f90\nq-e-qe-7.5/PHonon/PH/syme2.f90\nq-e-qe-7.5/PHonon/PH/symm.f90\nq-e-qe-7.5/PHonon/PH/symmorphic_or_nzb.f90\nq-e-qe-7.5/PHonon/PH/tra_write_matrix.f90\nq-e-qe-7.5/PHonon/PH/transform_alphasum_nc.f90\nq-e-qe-7.5/PHonon/PH/transform_alphasum_so.f90\nq-e-qe-7.5/PHonon/PH/transform_int_nc.f90\nq-e-qe-7.5/PHonon/PH/transform_int_so.f90\nq-e-qe-7.5/PHonon/PH/trntnsc.f90\nq-e-qe-7.5/PHonon/PH/twochem_postproc_dfpt.f90\nq-e-qe-7.5/PHonon/PH/write_eigenvectors.f90\nq-e-qe-7.5/PHonon/PH/write_epsilon_and_zeu.f90\nq-e-qe-7.5/PHonon/PH/write_hub.f90\nq-e-qe-7.5/PHonon/PH/write_matrix.f90\nq-e-qe-7.5/PHonon/PH/write_modes.f90\nq-e-qe-7.5/PHonon/PH/write_qplot_data.f90\nq-e-qe-7.5/PHonon/PH/write_ramtns.f90\nq-e-qe-7.5/PHonon/PH/write_rec.f90\nq-e-qe-7.5/PHonon/PH/yambo.f90\nq-e-qe-7.5/PHonon/PH/zstar_eu.f90\nq-e-qe-7.5/PHonon/PH/zstar_eu_us.f90\nq-e-qe-7.5/PHonon/examples/\nq-e-qe-7.5/PHonon/examples/GRID_example/\nq-e-qe-7.5/PHonon/examples/GRID_example/README\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/alas.ph.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/alas.ph.out0\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/alas.phdos\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/alas.scf.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/matdyn.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/alas.phdos\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/alas.scf.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.7\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.8\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/q2r.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.7\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.8\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.444.fc.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn0\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn1.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn2.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn3.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn4.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn5.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn6.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn7.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn8.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.freq\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.freq.rap\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.ph.in0\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.ph.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.ph.out0\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.phdos\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.scf.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.1.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.1.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.1.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.2.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.2.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.3.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.3.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.4.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.4.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.5.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.5.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/matdyn.freq\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/matdyn.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/matdyn.freq.rap\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/matdyn.modes\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/matdyn.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/phdos.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/q2r.out\nq-e-qe-7.5/PHonon/examples/GRID_example/run_example\nq-e-qe-7.5/PHonon/examples/GRID_example/run_example_1\nq-e-qe-7.5/PHonon/examples/GRID_example/run_example_2\nq-e-qe-7.5/PHonon/examples/GRID_example/run_example_3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/README\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.444.fc\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dispersions.ps\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn0\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn7\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn8\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.freq\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.collect.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.prep.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.phdos\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.phdos.ps\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.scf.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/freq.plot\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/matdyn.freq\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/matdyn.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/matdyn.modes\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/matdyn.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/phdos.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dispersions.ps\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn0\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn7\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn8\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.freq\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.ph.collect.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.ph.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.ph.rec.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.phdos\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.phdos.ps\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.scf.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas444.fc\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/freq.plot\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/matdyn.freq\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/matdyn.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/matdyn.modes\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/matdyn.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/out.1_0\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/phdos.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/q2r.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/run_example\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/run_example_2\nq-e-qe-7.5/PHonon/examples/Image_example/\nq-e-qe-7.5/PHonon/examples/Image_example/README\nq-e-qe-7.5/PHonon/examples/Image_example/reference/\nq-e-qe-7.5/PHonon/examples/Image_example/reference/alas.ph.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference/alas.ph.out1\nq-e-qe-7.5/PHonon/examples/Image_example/reference/alas.phdos\nq-e-qe-7.5/PHonon/examples/Image_example/reference/alas.scf.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference/matdyn.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference/out.1_0\nq-e-qe-7.5/PHonon/examples/Image_example/reference/phdos.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn0\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn1\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn2\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn3\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn4\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn5\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn6\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn7\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn8\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn0\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn1\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn10\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn11\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn12\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn13\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn14\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn15\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn16\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn17\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.freq\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.ph.collect.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.ph.disp.collect.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.ph.disp.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.ph.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.scf.out\nq-e-qe-7.5/PHonon/examples/Image_example/run_example\nq-e-qe-7.5/PHonon/examples/Image_example/run_example_1\nq-e-qe-7.5/PHonon/examples/Partial_example/\nq-e-qe-7.5/PHonon/examples/Partial_example/README\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/ch4.phA1.out\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/ch4.phE.out1\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/ch4.phE.out2\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/ch4.phG.out\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/ch4.scf.out\nq-e-qe-7.5/PHonon/examples/Partial_example/run_example\nq-e-qe-7.5/PHonon/examples/README\nq-e-qe-7.5/PHonon/examples/Recover_example/\nq-e-qe-7.5/PHonon/examples/Recover_example/README\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Au.phX_rel.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Au.phX_rel.out2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Au.scf_rel.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Cu.phG_pbe.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Cu.phG_pbe.out2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Cu.phX_pbe_one_mode.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Cu.phX_pbe_one_mode.out2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Cu.scf_pbe.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/ni.phX.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/ni.phX.out2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/ni.scf.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/si.phG.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/si.phG.out2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/si.scf.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/Al444.fc\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/Al444.freq\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/Al444.freq.gp\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos10\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos9\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn0\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.elph.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.elph.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.scf.fit.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.scf.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/dyna2F\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.61\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.62\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.63\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.64\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.65\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.66\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.67\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.68\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.69\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.70\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/lambda\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/matdyn.in.dos\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/matdyn.modes\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/matdyn.out.dos\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/phonon.dos\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/q2r.out\nq-e-qe-7.5/PHonon/examples/Recover_example/run_example\nq-e-qe-7.5/PHonon/examples/Recover_example/run_example_1\nq-e-qe-7.5/PHonon/examples/clean_all\nq-e-qe-7.5/PHonon/examples/example01/\nq-e-qe-7.5/PHonon/examples/example01/README\nq-e-qe-7.5/PHonon/examples/example01/reference/\nq-e-qe-7.5/PHonon/examples/example01/reference/c.phG.out\nq-e-qe-7.5/PHonon/examples/example01/reference/c.scf.out\nq-e-qe-7.5/PHonon/examples/example01/reference/ni.phX.out\nq-e-qe-7.5/PHonon/examples/example01/reference/ni.scf.out\nq-e-qe-7.5/PHonon/examples/example01/reference/si.phG.out\nq-e-qe-7.5/PHonon/examples/example01/reference/si.phX.out\nq-e-qe-7.5/PHonon/examples/example01/reference/si.phXsingle.out\nq-e-qe-7.5/PHonon/examples/example01/reference/si.scf.out\nq-e-qe-7.5/PHonon/examples/example01/run_example\nq-e-qe-7.5/PHonon/examples/example014/\nq-e-qe-7.5/PHonon/examples/example014/run_example_ep_simple\nq-e-qe-7.5/PHonon/examples/example02/\nq-e-qe-7.5/PHonon/examples/example02/README\nq-e-qe-7.5/PHonon/examples/example02/reference/\nq-e-qe-7.5/PHonon/examples/example02/reference/alas.freq\nq-e-qe-7.5/PHonon/examples/example02/reference/alas.ph.out\nq-e-qe-7.5/PHonon/examples/example02/reference/alas.phdos\nq-e-qe-7.5/PHonon/examples/example02/reference/alas.scf.out\nq-e-qe-7.5/PHonon/examples/example02/reference/matdyn.modes\nq-e-qe-7.5/PHonon/examples/example02/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/example02/run_example\nq-e-qe-7.5/PHonon/examples/example03/\nq-e-qe-7.5/PHonon/examples/example03/README\nq-e-qe-7.5/PHonon/examples/example03/reference/\nq-e-qe-7.5/PHonon/examples/example03/reference/al.elph.out\nq-e-qe-7.5/PHonon/examples/example03/reference/al.scf.fit.out\nq-e-qe-7.5/PHonon/examples/example03/reference/al.scf.out\nq-e-qe-7.5/PHonon/examples/example03/reference/lambda\nq-e-qe-7.5/PHonon/examples/example03/run_example\nq-e-qe-7.5/PHonon/examples/example04/\nq-e-qe-7.5/PHonon/examples/example04/README\nq-e-qe-7.5/PHonon/examples/example04/reference/\nq-e-qe-7.5/PHonon/examples/example04/reference/ch4.dyn.out\nq-e-qe-7.5/PHonon/examples/example04/reference/ch4.nm.out\nq-e-qe-7.5/PHonon/examples/example04/reference/ch4.scf.out\nq-e-qe-7.5/PHonon/examples/example04/run_example\nq-e-qe-7.5/PHonon/examples/example05/\nq-e-qe-7.5/PHonon/examples/example05/README\nq-e-qe-7.5/PHonon/examples/example05/reference/\nq-e-qe-7.5/PHonon/examples/example05/reference/alas.dynG\nq-e-qe-7.5/PHonon/examples/example05/reference/alas.ph.out\nq-e-qe-7.5/PHonon/examples/example05/reference/alas.scf.out\nq-e-qe-7.5/PHonon/examples/example05/run_example\nq-e-qe-7.5/PHonon/examples/example06/\nq-e-qe-7.5/PHonon/examples/example06/README\nq-e-qe-7.5/PHonon/examples/example06/reference/\nq-e-qe-7.5/PHonon/examples/example06/reference/pt.ph.out\nq-e-qe-7.5/PHonon/examples/example06/reference/pt.phX.out\nq-e-qe-7.5/PHonon/examples/example06/reference/pt.scf_ph.out\nq-e-qe-7.5/PHonon/examples/example06/run_example\nq-e-qe-7.5/PHonon/examples/example07/\nq-e-qe-7.5/PHonon/examples/example07/README\nq-e-qe-7.5/PHonon/examples/example07/reference/\nq-e-qe-7.5/PHonon/examples/example07/reference/ni.phG.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni.phX.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni.phX2.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni.scf.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni_so.phG.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni_so.phX.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni_so.phX2.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni_so.scf.out\nq-e-qe-7.5/PHonon/examples/example07/reference/pt.phG.out\nq-e-qe-7.5/PHonon/examples/example07/reference/pt.phX.out\nq-e-qe-7.5/PHonon/examples/example07/reference/pt.scf.out\nq-e-qe-7.5/PHonon/examples/example07/run_example\nq-e-qe-7.5/PHonon/examples/example08/\nq-e-qe-7.5/PHonon/examples/example08/README\nq-e-qe-7.5/PHonon/examples/example08/reference/\nq-e-qe-7.5/PHonon/examples/example08/reference/Cu.phG_pbe.out\nq-e-qe-7.5/PHonon/examples/example08/reference/Cu.scf_pbe.out\nq-e-qe-7.5/PHonon/examples/example08/reference/c.phG.out\nq-e-qe-7.5/PHonon/examples/example08/reference/c.phX.out\nq-e-qe-7.5/PHonon/examples/example08/reference/c.scf.out\nq-e-qe-7.5/PHonon/examples/example08/reference/ch4.nm.out\nq-e-qe-7.5/PHonon/examples/example08/reference/ch4.scf.out\nq-e-qe-7.5/PHonon/examples/example08/run_example\nq-e-qe-7.5/PHonon/examples/example09/\nq-e-qe-7.5/PHonon/examples/example09/README\nq-e-qe-7.5/PHonon/examples/example09/reference/\nq-e-qe-7.5/PHonon/examples/example09/reference/ch4.fpol.out\nq-e-qe-7.5/PHonon/examples/example09/reference/ch4.scf.out\nq-e-qe-7.5/PHonon/examples/example09/run_example\nq-e-qe-7.5/PHonon/examples/example10/\nq-e-qe-7.5/PHonon/examples/example10/README\nq-e-qe-7.5/PHonon/examples/example10/reference/\nq-e-qe-7.5/PHonon/examples/example10/reference/c.phG.out\nq-e-qe-7.5/PHonon/examples/example10/reference/c.scf.out\nq-e-qe-7.5/PHonon/examples/example10/reference/o2.phG.out\nq-e-qe-7.5/PHonon/examples/example10/reference/o2.scf.out\nq-e-qe-7.5/PHonon/examples/example10/reference/o2_nc.phG.out\nq-e-qe-7.5/PHonon/examples/example10/reference/o2_nc.scf.out\nq-e-qe-7.5/PHonon/examples/example10/reference/si.phG.out\nq-e-qe-7.5/PHonon/examples/example10/reference/si.scf.out\nq-e-qe-7.5/PHonon/examples/example10/run_example\nq-e-qe-7.5/PHonon/examples/example11/\nq-e-qe-7.5/PHonon/examples/example11/README\nq-e-qe-7.5/PHonon/examples/example11/reference/\nq-e-qe-7.5/PHonon/examples/example11/reference/Au.phG_pz.out\nq-e-qe-7.5/PHonon/examples/example11/reference/Au.phX_pz.out\nq-e-qe-7.5/PHonon/examples/example11/reference/Au.scf_pz.out\nq-e-qe-7.5/PHonon/examples/example11/run_example\nq-e-qe-7.5/PHonon/examples/example12/\nq-e-qe-7.5/PHonon/examples/example12/README\nq-e-qe-7.5/PHonon/examples/example12/reference/\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4-gga.dyn.out\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4-gga.nm.out\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4-gga.scf.out\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4.dyn.out\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4.nm.out\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4.scf.out\nq-e-qe-7.5/PHonon/examples/example12/run_example\nq-e-qe-7.5/PHonon/examples/example13/\nq-e-qe-7.5/PHonon/examples/example13/reference/\nq-e-qe-7.5/PHonon/examples/example13/reference/ni.ph.out\nq-e-qe-7.5/PHonon/examples/example13/reference/ni.scf.out\nq-e-qe-7.5/PHonon/examples/example13/run_example\nq-e-qe-7.5/PHonon/examples/example14/\nq-e-qe-7.5/PHonon/examples/example14/README\nq-e-qe-7.5/PHonon/examples/example14/reference/\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn0\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn1\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn2\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn3\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn4\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn5\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn6\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn7\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn8\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn.freq\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn0\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn1\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn10\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn11\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn12\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn13\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn14\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn15\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn16\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn17\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn2\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn3\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn4\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn5\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn6\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn7\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn8\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn9\nq-e-qe-7.5/PHonon/examples/example14/reference/al.freq\nq-e-qe-7.5/PHonon/examples/example14/reference/al.freq.gp\nq-e-qe-7.5/PHonon/examples/example14/reference/al.ph.disp.out\nq-e-qe-7.5/PHonon/examples/example14/reference/al.ph.out\nq-e-qe-7.5/PHonon/examples/example14/reference/al.scf.out\nq-e-qe-7.5/PHonon/examples/example14/reference/freq.disp.plot\nq-e-qe-7.5/PHonon/examples/example14/reference/freq.plot\nq-e-qe-7.5/PHonon/examples/example14/reference/matdyn.modes\nq-e-qe-7.5/PHonon/examples/example14/reference/matdyn.out\nq-e-qe-7.5/PHonon/examples/example14/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/example14/run_example\nq-e-qe-7.5/PHonon/examples/example15/\nq-e-qe-7.5/PHonon/examples/example15/README\nq-e-qe-7.5/PHonon/examples/example15/reference/\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.dm.in\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.dm.out\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.ph.in\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.ph.out\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.scf.in\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.scf.out\nq-e-qe-7.5/PHonon/examples/example15/reference/dmat.co2\nq-e-qe-7.5/PHonon/examples/example15/reference/dmat.zno\nq-e-qe-7.5/PHonon/examples/example15/reference/dynmat.axsf\nq-e-qe-7.5/PHonon/examples/example15/reference/dynmat.mold\nq-e-qe-7.5/PHonon/examples/example15/reference/dynmat.out\nq-e-qe-7.5/PHonon/examples/example15/reference/plot_command_co2.cmd\nq-e-qe-7.5/PHonon/examples/example15/reference/plot_command_zno.cmd\nq-e-qe-7.5/PHonon/examples/example15/reference/plotdata_co2.dat\nq-e-qe-7.5/PHonon/examples/example15/reference/plotdata_zno.dat\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.dm.in\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.dm.out\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.ph.in\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.ph.out\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.scf.in\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.scf.out\nq-e-qe-7.5/PHonon/examples/example15/run_example\nq-e-qe-7.5/PHonon/examples/example16/\nq-e-qe-7.5/PHonon/examples/example16/README\nq-e-qe-7.5/PHonon/examples/example16/reference/\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.phG.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.phK.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.rvv10.phG.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.rvv10.phK.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.rvv10.scf.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.scf.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df.phG.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df.phK.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df.scf.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df2.phG.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df2.phK.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df2.scf.out\nq-e-qe-7.5/PHonon/examples/example16/run_example\nq-e-qe-7.5/PHonon/examples/example17/\nq-e-qe-7.5/PHonon/examples/example17/README\nq-e-qe-7.5/PHonon/examples/example17/reference/\nq-e-qe-7.5/PHonon/examples/example17/reference/al.dispersions.ps\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn0\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn1\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn10\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn2\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn3\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn4\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn5\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn6\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn7\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn8\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn9\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.freq\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.freq.gp\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.ph.disp.in\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.ph.disp.out\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.scf.in\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.scf.out\nq-e-qe-7.5/PHonon/examples/example17/reference/bn881.fc\nq-e-qe-7.5/PHonon/examples/example17/reference/freq.disp.plot\nq-e-qe-7.5/PHonon/examples/example17/reference/freq.disp.ps\nq-e-qe-7.5/PHonon/examples/example17/reference/matdyn.in\nq-e-qe-7.5/PHonon/examples/example17/reference/matdyn.modes\nq-e-qe-7.5/PHonon/examples/example17/reference/matdyn.out\nq-e-qe-7.5/PHonon/examples/example17/reference/plotband.in\nq-e-qe-7.5/PHonon/examples/example17/reference/q2r.in\nq-e-qe-7.5/PHonon/examples/example17/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/example17/run_example\nq-e-qe-7.5/PHonon/examples/example18/\nq-e-qe-7.5/PHonon/examples/example18/README\nq-e-qe-7.5/PHonon/examples/example18/reference/\nq-e-qe-7.5/PHonon/examples/example18/reference/LiCoO2.dynG\nq-e-qe-7.5/PHonon/examples/example18/reference/LiCoO2.dynq\nq-e-qe-7.5/PHonon/examples/example18/reference/LiCoO2.phG.in\nq-e-qe-7.5/PHonon/examples/example18/reference/LiCoO2.phq.in\nq-e-qe-7.5/PHonon/examples/example18/reference/LiCoO2.scf.in\nq-e-qe-7.5/PHonon/examples/example18/run_example\nq-e-qe-7.5/PHonon/examples/example19/\nq-e-qe-7.5/PHonon/examples/example19/README\nq-e-qe-7.5/PHonon/examples/example19/reference/\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ahc.coarse.in\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ahc.coarse.out\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ahc.fine.in\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ahc.fine.out\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.dyn0\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.dyn1\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.dyn2\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.dyn3\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.dyn4\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ifc\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.modes_coarse\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.modes_fine\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.nscf.in\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.nscf.out\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ph.in\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ph.out\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.scf.in\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.scf.out\nq-e-qe-7.5/PHonon/examples/example19/reference/dvscfq2r.in\nq-e-qe-7.5/PHonon/examples/example19/reference/dvscfq2r.out\nq-e-qe-7.5/PHonon/examples/example19/reference/matdyn.coarse.in\nq-e-qe-7.5/PHonon/examples/example19/reference/matdyn.coarse.out\nq-e-qe-7.5/PHonon/examples/example19/reference/matdyn.fine.in\nq-e-qe-7.5/PHonon/examples/example19/reference/matdyn.fine.out\nq-e-qe-7.5/PHonon/examples/example19/reference/postahc.coarse.in\nq-e-qe-7.5/PHonon/examples/example19/reference/postahc.coarse.out\nq-e-qe-7.5/PHonon/examples/example19/reference/postahc.fine.in\nq-e-qe-7.5/PHonon/examples/example19/reference/postahc.fine.out\nq-e-qe-7.5/PHonon/examples/example19/reference/q2r.in\nq-e-qe-7.5/PHonon/examples/example19/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/example19/reference/selfen_coarse_imag.dat\nq-e-qe-7.5/PHonon/examples/example19/reference/selfen_coarse_real.dat\nq-e-qe-7.5/PHonon/examples/example19/reference/selfen_fine_imag.dat\nq-e-qe-7.5/PHonon/examples/example19/reference/selfen_fine_real.dat\nq-e-qe-7.5/PHonon/examples/example19/run_example\nq-e-qe-7.5/PHonon/examples/run_all_examples\nq-e-qe-7.5/PHonon/examples/tetra_example/\nq-e-qe-7.5/PHonon/examples/tetra_example/README\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.a2F.out\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn0\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn1\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn1.elph.1\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn10\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn10.elph.10\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn2\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn2.elph.2\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn3\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn3.elph.3\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn4\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn4.elph.4\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn5\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn5.elph.5\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn6\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn6.elph.6\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn7\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn7.elph.7\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn8\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn8.elph.8\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn9\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn9.elph.9\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.elph.in\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.elph.out\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.ph.in\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.ph.out\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.scf.in\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.scf.out\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/aluminum.McMillan.gp\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/aluminum.a2F.dat\nq-e-qe-7.5/PHonon/examples/tetra_example/run_example\nq-e-qe-7.5/PIOUD/\nq-e-qe-7.5/PIOUD/CMakeLists.txt\nq-e-qe-7.5/PIOUD/Makefile\nq-e-qe-7.5/PIOUD/examples/\nq-e-qe-7.5/PIOUD/examples/clean_all\nq-e-qe-7.5/PIOUD/examples/test_example_diamond/\nq-e-qe-7.5/PIOUD/examples/test_example_diamond/run_example\nq-e-qe-7.5/PIOUD/examples/test_example_diamond/script_sub\nq-e-qe-7.5/PIOUD/src/\nq-e-qe-7.5/PIOUD/src/Makefile\nq-e-qe-7.5/PIOUD/src/compute_scf_pioud.f90\nq-e-qe-7.5/PIOUD/src/engine_to_trpmd_nat_alat.f90\nq-e-qe-7.5/PIOUD/src/engine_to_trpmd_pos.f90\nq-e-qe-7.5/PIOUD/src/fcp_opt_routines.f90\nq-e-qe-7.5/PIOUD/src/fcp_variables.f90\nq-e-qe-7.5/PIOUD/src/make.depend\nq-e-qe-7.5/PIOUD/src/makedeps.sh\nq-e-qe-7.5/PIOUD/src/pimd_subrout.f90\nq-e-qe-7.5/PIOUD/src/pimd_utils.f90\nq-e-qe-7.5/PIOUD/src/pimd_variables.f90\nq-e-qe-7.5/PIOUD/src/pioud.f90\nq-e-qe-7.5/PIOUD/src/pw_gen_inputs.f90\nq-e-qe-7.5/PIOUD/src/ring_formats.f90\nq-e-qe-7.5/PIOUD/src/ring_input_parameters_module.f90\nq-e-qe-7.5/PIOUD/src/ring_io_units_module.f90\nq-e-qe-7.5/PIOUD/src/ring_variables.f90\nq-e-qe-7.5/PIOUD/src/set_defaults.f90\nq-e-qe-7.5/PIOUD/src/stop_run_path.f90\nq-e-qe-7.5/PIOUD/src/trpmd_base.f90\nq-e-qe-7.5/PIOUD/src/trpmd_io_routines.f90\nq-e-qe-7.5/PP/\nq-e-qe-7.5/PP/CMakeLists.txt\nq-e-qe-7.5/PP/Doc/\nq-e-qe-7.5/PP/Doc/INPUT_BANDS.def\nq-e-qe-7.5/PP/Doc/INPUT_BANDS.txt\nq-e-qe-7.5/PP/Doc/INPUT_BANDS.xml\nq-e-qe-7.5/PP/Doc/INPUT_BAND_INTERPOLATION.def\nq-e-qe-7.5/PP/Doc/INPUT_BAND_INTERPOLATION.txt\nq-e-qe-7.5/PP/Doc/INPUT_D3HESS.def\nq-e-qe-7.5/PP/Doc/INPUT_D3HESS.txt\nq-e-qe-7.5/PP/Doc/INPUT_DOS.def\nq-e-qe-7.5/PP/Doc/INPUT_DOS.txt\nq-e-qe-7.5/PP/Doc/INPUT_DOS.xml\nq-e-qe-7.5/PP/Doc/INPUT_OSCDFT_ET.def\nq-e-qe-7.5/PP/Doc/INPUT_OSCDFT_ET.txt\nq-e-qe-7.5/PP/Doc/INPUT_OSCDFT_PP.def\nq-e-qe-7.5/PP/Doc/INPUT_OSCDFT_PP.txt\nq-e-qe-7.5/PP/Doc/INPUT_PP.def\nq-e-qe-7.5/PP/Doc/INPUT_PP.txt\nq-e-qe-7.5/PP/Doc/INPUT_PPACF.def\nq-e-qe-7.5/PP/Doc/INPUT_PPACF.txt\nq-e-qe-7.5/PP/Doc/INPUT_PPRISM.def\nq-e-qe-7.5/PP/Doc/INPUT_PPRISM.txt\nq-e-qe-7.5/PP/Doc/INPUT_PROJWFC.def\nq-e-qe-7.5/PP/Doc/INPUT_PROJWFC.txt\nq-e-qe-7.5/PP/Doc/INPUT_bgw2pw.def\nq-e-qe-7.5/PP/Doc/INPUT_bgw2pw.txt\nq-e-qe-7.5/PP/Doc/INPUT_molecularpdos.def\nq-e-qe-7.5/PP/Doc/INPUT_molecularpdos.txt\nq-e-qe-7.5/PP/Doc/INPUT_molecularpdos.xml\nq-e-qe-7.5/PP/Doc/INPUT_pw2bgw.def\nq-e-qe-7.5/PP/Doc/INPUT_pw2bgw.txt\nq-e-qe-7.5/PP/Doc/INPUT_pw2gw.def\nq-e-qe-7.5/PP/Doc/INPUT_pw2gw.txt\nq-e-qe-7.5/PP/Doc/INPUT_pw2wannier90.def\nq-e-qe-7.5/PP/Doc/INPUT_pw2wannier90.txt\nq-e-qe-7.5/PP/Doc/INPUT_wannier2pw.def\nq-e-qe-7.5/PP/Doc/Makefile\nq-e-qe-7.5/PP/Doc/eps_man.tex\nq-e-qe-7.5/PP/Doc/user_guide.tex\nq-e-qe-7.5/PP/Makefile\nq-e-qe-7.5/PP/examples/\nq-e-qe-7.5/PP/examples/ACF_example/\nq-e-qe-7.5/PP/examples/ACF_example/README\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/atoms.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/atoms.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_fock.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_fock.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_plot.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_plot.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_scale.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_scale.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/atoms.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/atoms.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/atoms_ppacf.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_fock.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_fock.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_plot.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_plot.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_scale.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_scale.out\nq-e-qe-7.5/PP/examples/ACF_example/run_example\nq-e-qe-7.5/PP/examples/BGW_example/\nq-e-qe-7.5/PP/examples/BGW_example/README\nq-e-qe-7.5/PP/examples/BGW_example/references/\nq-e-qe-7.5/PP/examples/BGW_example/references/si.pw2bgw.in\nq-e-qe-7.5/PP/examples/BGW_example/references/si.pw2bgw.out\nq-e-qe-7.5/PP/examples/BGW_example/references/si.scf.in\nq-e-qe-7.5/PP/examples/BGW_example/references/si.scf.out\nq-e-qe-7.5/PP/examples/BGW_example/references/vxc.dat\nq-e-qe-7.5/PP/examples/BGW_example/references/vxc0.dat\nq-e-qe-7.5/PP/examples/BGW_example/run_example\nq-e-qe-7.5/PP/examples/CLS_FS_example/\nq-e-qe-7.5/PP/examples/CLS_FS_example/README\nq-e-qe-7.5/PP/examples/CLS_FS_example/reference/\nq-e-qe-7.5/PP/examples/CLS_FS_example/reference/final-state.txt\nq-e-qe-7.5/PP/examples/CLS_FS_example/reference/rh011bulk.scf.out\nq-e-qe-7.5/PP/examples/CLS_FS_example/reference/rh011layer1.scf.out\nq-e-qe-7.5/PP/examples/CLS_FS_example/reference/rh011surf.scf.out\nq-e-qe-7.5/PP/examples/CLS_FS_example/run_example\nq-e-qe-7.5/PP/examples/CLS_IS_example/\nq-e-qe-7.5/PP/examples/CLS_IS_example/README\nq-e-qe-7.5/PP/examples/CLS_IS_example/reference/\nq-e-qe-7.5/PP/examples/CLS_IS_example/reference/initial-state.txt\nq-e-qe-7.5/PP/examples/CLS_IS_example/reference/rh011slab.istate.out\nq-e-qe-7.5/PP/examples/CLS_IS_example/reference/rh011slab.scf.out\nq-e-qe-7.5/PP/examples/CLS_IS_example/run_example\nq-e-qe-7.5/PP/examples/ForceTheorem_example/\nq-e-qe-7.5/PP/examples/ForceTheorem_example/README\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/eband_par.dat\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/eband_per.dat\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/par.out\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/per.out\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/proj_par.out\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/proj_per.out\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/sr.out\nq-e-qe-7.5/PP/examples/ForceTheorem_example/run_example\nq-e-qe-7.5/PP/examples/MolDos_example/\nq-e-qe-7.5/PP/examples/MolDos_example/README\nq-e-qe-7.5/PP/examples/MolDos_example/reference/\nq-e-qe-7.5/PP/examples/MolDos_example/reference/H2.bands.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/H2.k.projwfc.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/H2.projwfc.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/H2.scf.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2.bands.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2.k.projwfc.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2.projwfc.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2.scf.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2_onto_H2.k.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2_onto_H2.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/gnuplot.tmp\nq-e-qe-7.5/PP/examples/MolDos_example/reference/project_chainH2_onto_H2.ps\nq-e-qe-7.5/PP/examples/MolDos_example/run_example\nq-e-qe-7.5/PP/examples/README\nq-e-qe-7.5/PP/examples/W90_open_grid_example/\nq-e-qe-7.5/PP/examples/W90_open_grid_example/README\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.lib.win\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.openg.sa.in\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.openg.sa.out\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.lib.in\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.sa.in\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.sa.out\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.sa.eig\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.sa.nnkp\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.sa.win\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.sa.wout\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.scf.in\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.scf.out\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/k_points.txt\nq-e-qe-7.5/PP/examples/W90_open_grid_example/run_example\nq-e-qe-7.5/PP/examples/WAN90_example/\nq-e-qe-7.5/PP/examples/WAN90_example/README\nq-e-qe-7.5/PP/examples/WAN90_example/reference/\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.lib.win\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.lib.wout\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.nscf.out\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.pw2wan.lib.out\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.pw2wan.sa.out\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.sa.eig\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.sa.nnkp\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.sa.win\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.sa.wout\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.scf.out\nq-e-qe-7.5/PP/examples/WAN90_example/run_example\nq-e-qe-7.5/PP/examples/WannierHam_example/\nq-e-qe-7.5/PP/examples/WannierHam_example/README\nq-e-qe-7.5/PP/examples/WannierHam_example/reference/\nq-e-qe-7.5/PP/examples/WannierHam_example/reference/NiO.nscf.out\nq-e-qe-7.5/PP/examples/WannierHam_example/reference/NiO.scf.out\nq-e-qe-7.5/PP/examples/WannierHam_example/reference/hamilt.gz\nq-e-qe-7.5/PP/examples/WannierHam_example/reference/wannier_hamilt.out\nq-e-qe-7.5/PP/examples/WannierHam_example/run_example\nq-e-qe-7.5/PP/examples/WorkFct_example/\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.avg.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.avg.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.pp.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.pp.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.avg.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.avg.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.pot\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.pp.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.pp.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.wf.data\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.wf.eps\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Albulkrefpot\nq-e-qe-7.5/PP/examples/WorkFct_example/run_example\nq-e-qe-7.5/PP/examples/clean_all\nq-e-qe-7.5/PP/examples/dipole_example/\nq-e-qe-7.5/PP/examples/dipole_example/README\nq-e-qe-7.5/PP/examples/dipole_example/reference/\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.avg.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.eps\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.pp.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.pp.out\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.scf.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.scf.out\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.vpot-z\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.avg.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.eps\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.pp.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.pp.out\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.scf.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.scf.out\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.vpot-z\nq-e-qe-7.5/PP/examples/dipole_example/run_example\nq-e-qe-7.5/PP/examples/example01/\nq-e-qe-7.5/PP/examples/example01/README\nq-e-qe-7.5/PP/examples/example01/reference/\nq-e-qe-7.5/PP/examples/example01/reference/si.band.out\nq-e-qe-7.5/PP/examples/example01/reference/si.bands.out\nq-e-qe-7.5/PP/examples/example01/reference/si.plotband.out\nq-e-qe-7.5/PP/examples/example01/reference/si.plotrho.out\nq-e-qe-7.5/PP/examples/example01/reference/si.pp_rho.out\nq-e-qe-7.5/PP/examples/example01/reference/si.rho.dat\nq-e-qe-7.5/PP/examples/example01/reference/si.rho.ps\nq-e-qe-7.5/PP/examples/example01/reference/si.scf.out\nq-e-qe-7.5/PP/examples/example01/reference/sibands.dat\nq-e-qe-7.5/PP/examples/example01/reference/sibands.dat.rap\nq-e-qe-7.5/PP/examples/example01/reference/sibands.ps\nq-e-qe-7.5/PP/examples/example01/reference/sicharge\nq-e-qe-7.5/PP/examples/example01/run_example\nq-e-qe-7.5/PP/examples/example02/\nq-e-qe-7.5/PP/examples/example02/README\nq-e-qe-7.5/PP/examples/example02/reference/\nq-e-qe-7.5/PP/examples/example02/reference/FS.in\nq-e-qe-7.5/PP/examples/example02/reference/FS.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.dos\nq-e-qe-7.5/PP/examples/example02/reference/ni.dos.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.dos.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.dos2.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.dos2.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.fs_NSP.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.fs_NSP.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.fs_SP.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.fs_SP.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.pdos.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.pdos.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.pdos_atm#1(Ni)_wfc#1(s)\nq-e-qe-7.5/PP/examples/example02/reference/ni.pdos_atm#1(Ni)_wfc#2(d)\nq-e-qe-7.5/PP/examples/example02/reference/ni.pdos_tot\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf0.NSP.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf0.SP.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf_NSP.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf_SP.in\nq-e-qe-7.5/PP/examples/example02/reference/ni_fs.bxsf\nq-e-qe-7.5/PP/examples/example02/reference/ni_fsdw.bxsf\nq-e-qe-7.5/PP/examples/example02/reference/ni_fsup.bxsf\nq-e-qe-7.5/PP/examples/example02/run_example\nq-e-qe-7.5/PP/examples/example03/\nq-e-qe-7.5/PP/examples/example03/README\nq-e-qe-7.5/PP/examples/example03/reference/\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110+1.0eV.ps\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110-1.0eV.ps\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110.box.projwfc.out\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110.box.projwfc.ps\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110.ldos_boxes\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110.pp_stm+.out\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110.pp_stm-.out\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110re.nonscf.out\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110re.scf.out\nq-e-qe-7.5/PP/examples/example03/run_example\nq-e-qe-7.5/PP/examples/example04/\nq-e-qe-7.5/PP/examples/example04/README\nq-e-qe-7.5/PP/examples/example04/reference/\nq-e-qe-7.5/PP/examples/example04/reference/pt.bands.out\nq-e-qe-7.5/PP/examples/example04/reference/pt.nscf.out\nq-e-qe-7.5/PP/examples/example04/reference/pt.pdos.out\nq-e-qe-7.5/PP/examples/example04/reference/pt.scf.out\nq-e-qe-7.5/PP/examples/example04/run_example\nq-e-qe-7.5/PP/examples/example05/\nq-e-qe-7.5/PP/examples/example05/README\nq-e-qe-7.5/PP/examples/example05/reference/\nq-e-qe-7.5/PP/examples/example05/reference/feo_LDA.in\nq-e-qe-7.5/PP/examples/example05/reference/feo_wannier.in\nq-e-qe-7.5/PP/examples/example05/reference/pmw.in\nq-e-qe-7.5/PP/examples/example05/run_example\nq-e-qe-7.5/PP/examples/example06/\nq-e-qe-7.5/PP/examples/example06/README\nq-e-qe-7.5/PP/examples/example06/reference/\nq-e-qe-7.5/PP/examples/example06/reference/Fe.band_pbe.out\nq-e-qe-7.5/PP/examples/example06/reference/Fe.bands.out\nq-e-qe-7.5/PP/examples/example06/reference/Fe.scf_pbe.out\nq-e-qe-7.5/PP/examples/example06/reference/fe.bands.ps\nq-e-qe-7.5/PP/examples/example06/reference/plotband.out\nq-e-qe-7.5/PP/examples/example06/run_example\nq-e-qe-7.5/PP/examples/example07/\nq-e-qe-7.5/PP/examples/example07/README\nq-e-qe-7.5/PP/examples/example07/reference1/\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.nscf.in\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.pw2wan.in\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.scf-wan.in\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.scf.in\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.wan2pw.in\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.win\nq-e-qe-7.5/PP/examples/example07/reference2/\nq-e-qe-7.5/PP/examples/example07/reference2/MnO.nscf.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO.scf-wan.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO.scf.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_down.pw2wan.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_down.wan2pw.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_down.win\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_up.pw2wan.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_up.wan2pw.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_up.win\nq-e-qe-7.5/PP/examples/example07/run_example1\nq-e-qe-7.5/PP/examples/example07/run_example2\nq-e-qe-7.5/PP/examples/example08/\nq-e-qe-7.5/PP/examples/example08/README\nq-e-qe-7.5/PP/examples/example08/reference/\nq-e-qe-7.5/PP/examples/example08/reference/TiO2.pp.in\nq-e-qe-7.5/PP/examples/example08/reference/TiO2.scf.in\nq-e-qe-7.5/PP/examples/example08/run_example\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/README\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/filexml.tar.gz\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier-diff.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier-diff.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/log.pbe0.scf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/out.fourier-diff.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/out.fourier.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/pbe0.scf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/filexml.tar.gz\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier-diff.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier-diff.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/log.pbe.scf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/out.fourier-diff.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/out.fourier.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/pbe.scf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/filexml.tar.gz\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/idw-sphere.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/idw-sphere.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/idw.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/idw.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/log.pbe.scf.nosym.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/out.idw-sphere.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/out.idw.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/pbe.scf.nosym.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/filexml.tar.gz\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.bands.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.nscf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.pp.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.scf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat.gnu\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat.rap\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.nscf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.pp.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.scf.in\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/README\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/bands.dat\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.bands.in\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.bands.out\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.plotband.in\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.plotband.out\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.scf.in\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.scf.out\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/sibands-p.dat\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/sibands.dat\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/sibands.dat.gnu\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/run_example\nq-e-qe-7.5/PP/examples/fermisurf_example/\nq-e-qe-7.5/PP/examples/fermisurf_example/README\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/FS_b2pz.out\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/FS_vf.out\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/b2pz.frmsf\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#1(Mg)_wfc#1(s)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#1(Mg)_wfc#2(p)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#2(B)_wfc#1(s)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#2(B)_wfc#2(p)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#3(B)_wfc#1(s)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#3(B)_wfc#2(p)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_tot\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.proj.in\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.proj.out\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.scf.in\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.scf.out\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/vfermi.frmsf\nq-e-qe-7.5/PP/examples/fermisurf_example/run_example\nq-e-qe-7.5/PP/examples/projected_bands_example/\nq-e-qe-7.5/PP/examples/projected_bands_example/README\nq-e-qe-7.5/PP/examples/projected_bands_example/projwfc_to_bands.awk\nq-e-qe-7.5/PP/examples/projected_bands_example/reference/\nq-e-qe-7.5/PP/examples/projected_bands_example/reference/ni.kpdos_dw.png\nq-e-qe-7.5/PP/examples/projected_bands_example/reference/ni.kpdos_up.png\nq-e-qe-7.5/PP/examples/projected_bands_example/reference/pt.s-bands.png\nq-e-qe-7.5/PP/examples/projected_bands_example/reference/silicene.projbands.png\nq-e-qe-7.5/PP/examples/projected_bands_example/run_example\nq-e-qe-7.5/PP/examples/pw2gw_example/\nq-e-qe-7.5/PP/examples/pw2gw_example/README\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/bn.nscf.out.xz\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/bn.pw2gw.out.xz\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/bn.scf.out\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/epsTOT.dat\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/epsX.dat\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/epsY.dat\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/epsZ.dat\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/k.dat\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/matrixelements.xz\nq-e-qe-7.5/PP/examples/pw2gw_example/run_example\nq-e-qe-7.5/PP/examples/run_all_examples\nq-e-qe-7.5/PP/simple_transport/\nq-e-qe-7.5/PP/simple_transport/README\nq-e-qe-7.5/PP/simple_transport/examples/\nq-e-qe-7.5/PP/simple_transport/examples/eg_ef/\nq-e-qe-7.5/PP/simple_transport/examples/eg_ef/out.32\nq-e-qe-7.5/PP/simple_transport/examples/eg_ef/run_ef\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/README\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/reference/\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/reference/Def_0.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/reference/Se_0.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/reference/sig_0.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/run_0\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/README\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/dop_vs_ef\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+18.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+19.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+20.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+21.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+18.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+19.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+20.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+21.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+18\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+19\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+20\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+21\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+18.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+19.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+20.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+21.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/run_1\nq-e-qe-7.5/PP/simple_transport/examples/scf/\nq-e-qe-7.5/PP/simple_transport/examples/scf/As.pbe-n-kjpaw_psl.0.2.upf\nq-e-qe-7.5/PP/simple_transport/examples/scf/Ga.pbe-dn-kjpaw_psl.0.2.upf\nq-e-qe-7.5/PP/simple_transport/examples/scf/info-q\nq-e-qe-7.5/PP/simple_transport/examples/scf/reference/\nq-e-qe-7.5/PP/simple_transport/examples/scf/reference/GaAs.32.a2Fsave\nq-e-qe-7.5/PP/simple_transport/examples/scf/reference/GaAs.scf.out\nq-e-qe-7.5/PP/simple_transport/examples/scf/run_GaAs_scf\nq-e-qe-7.5/PP/simple_transport/src/\nq-e-qe-7.5/PP/simple_transport/src/Makefile\nq-e-qe-7.5/PP/simple_transport/src/cryst_to_car.f90\nq-e-qe-7.5/PP/simple_transport/src/dos.f90\nq-e-qe-7.5/PP/simple_transport/src/ef.f90\nq-e-qe-7.5/PP/simple_transport/src/fermi_int_0.f90\nq-e-qe-7.5/PP/simple_transport/src/fermi_int_1.f90\nq-e-qe-7.5/PP/simple_transport/src/lint.f90\nq-e-qe-7.5/PP/simple_transport/src/reducegrid.f90\nq-e-qe-7.5/PP/simple_transport/src/smearing_mod.f90\nq-e-qe-7.5/PP/simple_transport/src/vband_ibz.f90\nq-e-qe-7.5/PP/src/\nq-e-qe-7.5/PP/src/Makefile\nq-e-qe-7.5/PP/src/add_shift_cc.f90\nq-e-qe-7.5/PP/src/add_shift_lc.f90\nq-e-qe-7.5/PP/src/add_shift_us.f90\nq-e-qe-7.5/PP/src/adduscore.f90\nq-e-qe-7.5/PP/src/addusdens1d.f90\nq-e-qe-7.5/PP/src/average.f90\nq-e-qe-7.5/PP/src/band_interpolation.f90\nq-e-qe-7.5/PP/src/bands.f90\nq-e-qe-7.5/PP/src/bgw2pw.f90.orig\nq-e-qe-7.5/PP/src/chdens_bspline.f90\nq-e-qe-7.5/PP/src/chdens_bspline_sphere.f90\nq-e-qe-7.5/PP/src/chdens_module.f90\nq-e-qe-7.5/PP/src/compute_ppsi.f90\nq-e-qe-7.5/PP/src/compute_sigma_avg.f90\nq-e-qe-7.5/PP/src/cube.f90\nq-e-qe-7.5/PP/src/d3hess.f90\nq-e-qe-7.5/PP/src/d_matrix_nc.f90\nq-e-qe-7.5/PP/src/d_matrix_so.f90\nq-e-qe-7.5/PP/src/do_initial_state.f90\nq-e-qe-7.5/PP/src/do_shift_ew.f90\nq-e-qe-7.5/PP/src/dos.f90\nq-e-qe-7.5/PP/src/dosg.f90\nq-e-qe-7.5/PP/src/elf.f90\nq-e-qe-7.5/PP/src/epsilon.f90\nq-e-qe-7.5/PP/src/fermi_proj.f90\nq-e-qe-7.5/PP/src/fermi_velocity.f90\nq-e-qe-7.5/PP/src/fermisurface.f90\nq-e-qe-7.5/PP/src/fermisurfer_common.f90\nq-e-qe-7.5/PP/src/fft_interpolation_mod.f90\nq-e-qe-7.5/PP/src/fouriermod.f90\nq-e-qe-7.5/PP/src/ggen1d.f90\nq-e-qe-7.5/PP/src/globalmod.f90\nq-e-qe-7.5/PP/src/hubbard_projectors.f90\nq-e-qe-7.5/PP/src/idwmod.f90\nq-e-qe-7.5/PP/src/initial_state.f90\nq-e-qe-7.5/PP/src/lebedev.f90\nq-e-qe-7.5/PP/src/local_dos.f90\nq-e-qe-7.5/PP/src/local_dos1d.f90\nq-e-qe-7.5/PP/src/local_dos_mag.f90\nq-e-qe-7.5/PP/src/molecularpdos.f90\nq-e-qe-7.5/PP/src/open_grid.f90\nq-e-qe-7.5/PP/src/openfil_pp.f90\nq-e-qe-7.5/PP/src/oscdft_et.f90\nq-e-qe-7.5/PP/src/oscdft_et_mod.f90\nq-e-qe-7.5/PP/src/oscdft_pp.f90\nq-e-qe-7.5/PP/src/oscdft_pp_mod.f90\nq-e-qe-7.5/PP/src/partialdos.f90\nq-e-qe-7.5/PP/src/paw_postproc.f90\nq-e-qe-7.5/PP/src/pawplot.f90\nq-e-qe-7.5/PP/src/plan_avg.f90\nq-e-qe-7.5/PP/src/plotband.f90\nq-e-qe-7.5/PP/src/plotproj.f90\nq-e-qe-7.5/PP/src/plotrho.f90\nq-e-qe-7.5/PP/src/poormanwannier.f90\nq-e-qe-7.5/PP/src/postproc.f90\nq-e-qe-7.5/PP/src/postrism.f90\nq-e-qe-7.5/PP/src/pp_example.f90\nq-e-qe-7.5/PP/src/ppacf.f90\nq-e-qe-7.5/PP/src/projections_mod.f90\nq-e-qe-7.5/PP/src/projwfc.f90\nq-e-qe-7.5/PP/src/projwfc_box.f90\nq-e-qe-7.5/PP/src/punch_plot.f90\nq-e-qe-7.5/PP/src/punch_rism.f90\nq-e-qe-7.5/PP/src/pw2bgw.f90\nq-e-qe-7.5/PP/src/pw2critic.f90\nq-e-qe-7.5/PP/src/pw2gt.f90\nq-e-qe-7.5/PP/src/pw2gw.f90\nq-e-qe-7.5/PP/src/pw2wannier90.f90\nq-e-qe-7.5/PP/src/read_proj.f90\nq-e-qe-7.5/PP/src/smallgk.f90\nq-e-qe-7.5/PP/src/solvdens.f90\nq-e-qe-7.5/PP/src/stm.f90\nq-e-qe-7.5/PP/src/stop_pp.f90\nq-e-qe-7.5/PP/src/sum_band_kin.f90\nq-e-qe-7.5/PP/src/sumpdos.f90\nq-e-qe-7.5/PP/src/sym_band.f90\nq-e-qe-7.5/PP/src/vasp_read_chgcar_mod.f90\nq-e-qe-7.5/PP/src/vasp_xml_module.f90\nq-e-qe-7.5/PP/src/wannier2pw.f90\nq-e-qe-7.5/PP/src/wannier_enrg.f90\nq-e-qe-7.5/PP/src/wannier_ham.f90\nq-e-qe-7.5/PP/src/wannier_mod.f90\nq-e-qe-7.5/PP/src/wannier_plot.f90\nq-e-qe-7.5/PP/src/wannier_proj.f90\nq-e-qe-7.5/PP/src/wfck2r.f90\nq-e-qe-7.5/PP/src/work_function.f90\nq-e-qe-7.5/PP/src/write_hamiltonians.f90\nq-e-qe-7.5/PP/src/write_io_header.f90\nq-e-qe-7.5/PP/src/write_p_avg.f90\nq-e-qe-7.5/PP/src/write_proj.f90\nq-e-qe-7.5/PP/src/xc_vdW_scale_mod.f90\nq-e-qe-7.5/PP/tools/\nq-e-qe-7.5/PP/tools/sum_states.py\nq-e-qe-7.5/PW/\nq-e-qe-7.5/PW/CMakeLists.txt\nq-e-qe-7.5/PW/Doc/\nq-e-qe-7.5/PW/Doc/INPUT_OSCDFT.def\nq-e-qe-7.5/PW/Doc/INPUT_PW.def\nq-e-qe-7.5/PW/Doc/Makefile\nq-e-qe-7.5/PW/Doc/user_guide.tex\nq-e-qe-7.5/PW/Ford.md\nq-e-qe-7.5/PW/Ford/\nq-e-qe-7.5/PW/Ford/index.md\nq-e-qe-7.5/PW/Makefile\nq-e-qe-7.5/PW/examples/\nq-e-qe-7.5/PW/examples/ESM_example/\nq-e-qe-7.5/PW/examples/ESM_example/README\nq-e-qe-7.5/PW/examples/ESM_example/reference/\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc1.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc1.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc1.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_efield.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_efield.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_efield.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_m002.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_m002.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_m002.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_p002.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_p002.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_p002.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_pbc.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_pbc.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_pbc.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_bc1.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_bc1.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_bc1.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_pbc.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_pbc.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_pbc.xml\nq-e-qe-7.5/PW/examples/ESM_example/run_example\nq-e-qe-7.5/PW/examples/ESM_example/run_example_ESM\nq-e-qe-7.5/PW/examples/ESM_example/run_example_FCP\nq-e-qe-7.5/PW/examples/ESM_example/run_example_GCSCF\nq-e-qe-7.5/PW/examples/EXX_example/\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/CPBE085nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/CPBE1nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/NPBE085nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/NPBE1nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/OPBE085nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/OPBE1nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/README\nq-e-qe-7.5/PW/examples/EXX_example/README.gaupbe\nq-e-qe-7.5/PW/examples/EXX_example/reference/\nq-e-qe-7.5/PW/examples/EXX_example/reference/c.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/c.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/c.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/co.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/co.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/co.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n2.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n2.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n2.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o2.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o2.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o2.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.PBE0_nq=1.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.PBE0_nq=2.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.PBE0_nq=4.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.gaupbe_nq=1.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.gaupbe_nq=2.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.gaupbe_nq=4.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.hse_nq=1.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.hse_nq=2.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.hse_nq=4.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/summarize\nq-e-qe-7.5/PW/examples/EXX_example/run_example\nq-e-qe-7.5/PW/examples/Extffield_example/\nq-e-qe-7.5/PW/examples/Extffield_example/README\nq-e-qe-7.5/PW/examples/Extffield_example/reference/\nq-e-qe-7.5/PW/examples/Extffield_example/reference/SiH4.extffield\nq-e-qe-7.5/PW/examples/Extffield_example/reference/SiH4.inp\nq-e-qe-7.5/PW/examples/Extffield_example/reference/SiH4.out\nq-e-qe-7.5/PW/examples/Extffield_example/reference/extffield.dat\nq-e-qe-7.5/PW/examples/Extffield_example/run_example\nq-e-qe-7.5/PW/examples/README\nq-e-qe-7.5/PW/examples/RISM_example/\nq-e-qe-7.5/PW/examples/RISM_example/MOL/\nq-e-qe-7.5/PW/examples/RISM_example/MOL/Cl-.aq.MOL\nq-e-qe-7.5/PW/examples/RISM_example/MOL/Ethanol.oplsua.MOL\nq-e-qe-7.5/PW/examples/RISM_example/MOL/H2O.spc.MOL\nq-e-qe-7.5/PW/examples/RISM_example/MOL/Na+.aq.MOL\nq-e-qe-7.5/PW/examples/RISM_example/README\nq-e-qe-7.5/PW/examples/RISM_example/reference/\nq-e-qe-7.5/PW/examples/RISM_example/reference/Al-NaCl_aq.1drism\nq-e-qe-7.5/PW/examples/RISM_example/reference/Al-NaCl_aq.esm1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Al-NaCl_aq.out\nq-e-qe-7.5/PW/examples/RISM_example/reference/Al-NaCl_aq.rism1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Al-NaCl_aq.xml\nq-e-qe-7.5/PW/examples/RISM_example/reference/Cl-_NaCl_aq.1drism\nq-e-qe-7.5/PW/examples/RISM_example/reference/Cl-_NaCl_aq.esm1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Cl-_NaCl_aq.out\nq-e-qe-7.5/PW/examples/RISM_example/reference/Cl-_NaCl_aq.rism1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Cl-_NaCl_aq.xml\nq-e-qe-7.5/PW/examples/RISM_example/reference/H2O.NaCl_aq.1drism\nq-e-qe-7.5/PW/examples/RISM_example/reference/H2O.NaCl_aq.out\nq-e-qe-7.5/PW/examples/RISM_example/reference/H2O.NaCl_aq.xml\nq-e-qe-7.5/PW/examples/RISM_example/reference/HCHO.aq.1drism\nq-e-qe-7.5/PW/examples/RISM_example/reference/HCHO.aq.out\nq-e-qe-7.5/PW/examples/RISM_example/reference/HCHO.aq.xml\nq-e-qe-7.5/PW/examples/RISM_example/reference/Li-EtOH.1drism\nq-e-qe-7.5/PW/examples/RISM_example/reference/Li-EtOH.esm1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Li-EtOH.out\nq-e-qe-7.5/PW/examples/RISM_example/reference/Li-EtOH.rism1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Li-EtOH.xml\nq-e-qe-7.5/PW/examples/RISM_example/run_example\nq-e-qe-7.5/PW/examples/RISM_example/run_example_3D-RISM\nq-e-qe-7.5/PW/examples/RISM_example/run_example_ESM-RISM\nq-e-qe-7.5/PW/examples/VCSexample/\nq-e-qe-7.5/PW/examples/VCSexample/README\nq-e-qe-7.5/PW/examples/VCSexample/reference/\nq-e-qe-7.5/PW/examples/VCSexample/reference/As.bfgs00.out\nq-e-qe-7.5/PW/examples/VCSexample/reference/As.bfgs500.out\nq-e-qe-7.5/PW/examples/VCSexample/reference/As.vcs00.out\nq-e-qe-7.5/PW/examples/VCSexample/reference/As.vcs500.out\nq-e-qe-7.5/PW/examples/VCSexample/run_example\nq-e-qe-7.5/PW/examples/clean_all\nq-e-qe-7.5/PW/examples/cluster_example/\nq-e-qe-7.5/PW/examples/cluster_example/README\nq-e-qe-7.5/PW/examples/cluster_example/reference/\nq-e-qe-7.5/PW/examples/cluster_example/reference/h2o.eigenvalues\nq-e-qe-7.5/PW/examples/cluster_example/reference/h2o.out-12\nq-e-qe-7.5/PW/examples/cluster_example/reference/h2o.out-16\nq-e-qe-7.5/PW/examples/cluster_example/reference/h2o.out-20\nq-e-qe-7.5/PW/examples/cluster_example/reference/h2o.out-24\nq-e-qe-7.5/PW/examples/cluster_example/reference/n.eigenvalues\nq-e-qe-7.5/PW/examples/cluster_example/reference/n.out-12\nq-e-qe-7.5/PW/examples/cluster_example/reference/n.out-16\nq-e-qe-7.5/PW/examples/cluster_example/reference/n.out-20\nq-e-qe-7.5/PW/examples/cluster_example/reference/n.out-24\nq-e-qe-7.5/PW/examples/cluster_example/reference/nh4+.eigenvalues\nq-e-qe-7.5/PW/examples/cluster_example/reference/nh4+.out-12\nq-e-qe-7.5/PW/examples/cluster_example/reference/nh4+.out-16\nq-e-qe-7.5/PW/examples/cluster_example/reference/nh4+.out-20\nq-e-qe-7.5/PW/examples/cluster_example/reference/nh4+.out-24\nq-e-qe-7.5/PW/examples/cluster_example/run_example\nq-e-qe-7.5/PW/examples/dftd3_example/\nq-e-qe-7.5/PW/examples/dftd3_example/reference/\nq-e-qe-7.5/PW/examples/dftd3_example/reference/graphite_d2.in\nq-e-qe-7.5/PW/examples/dftd3_example/reference/graphite_d2.out\nq-e-qe-7.5/PW/examples/dftd3_example/reference/graphite_d3.in\nq-e-qe-7.5/PW/examples/dftd3_example/reference/graphite_d3.out\nq-e-qe-7.5/PW/examples/dftd3_example/run_example\nq-e-qe-7.5/PW/examples/example01/\nq-e-qe-7.5/PW/examples/example01/README\nq-e-qe-7.5/PW/examples/example01/reference/\nq-e-qe-7.5/PW/examples/example01/reference/al.band.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/al.band.david.out\nq-e-qe-7.5/PW/examples/example01/reference/al.scf.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/al.scf.david.out\nq-e-qe-7.5/PW/examples/example01/reference/cu.band.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/cu.band.david.out\nq-e-qe-7.5/PW/examples/example01/reference/cu.scf.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/cu.scf.david.out\nq-e-qe-7.5/PW/examples/example01/reference/ni.band.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/ni.band.david.out\nq-e-qe-7.5/PW/examples/example01/reference/ni.scf.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/ni.scf.david.out\nq-e-qe-7.5/PW/examples/example01/reference/si.band.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/si.band.david.out\nq-e-qe-7.5/PW/examples/example01/reference/si.scf.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/si.scf.david.out\nq-e-qe-7.5/PW/examples/example01/run_example\nq-e-qe-7.5/PW/examples/example02/\nq-e-qe-7.5/PW/examples/example02/README\nq-e-qe-7.5/PW/examples/example02/reference/\nq-e-qe-7.5/PW/examples/example02/reference/al001.mm.out\nq-e-qe-7.5/PW/examples/example02/reference/al001.rx.out\nq-e-qe-7.5/PW/examples/example02/reference/co.rx.out\nq-e-qe-7.5/PW/examples/example02/run_example\nq-e-qe-7.5/PW/examples/example03/\nq-e-qe-7.5/PW/examples/example03/README\nq-e-qe-7.5/PW/examples/example03/reference/\nq-e-qe-7.5/PW/examples/example03/reference/si.md2.out\nq-e-qe-7.5/PW/examples/example03/reference/si.md2_G3X.out\nq-e-qe-7.5/PW/examples/example03/reference/si.md8.out\nq-e-qe-7.5/PW/examples/example03/run_example\nq-e-qe-7.5/PW/examples/example04/\nq-e-qe-7.5/PW/examples/example04/README\nq-e-qe-7.5/PW/examples/example04/reference/\nq-e-qe-7.5/PW/examples/example04/reference/BP.out\nq-e-qe-7.5/PW/examples/example04/reference/chg.out\nq-e-qe-7.5/PW/examples/example04/run_example\nq-e-qe-7.5/PW/examples/example05/\nq-e-qe-7.5/PW/examples/example05/README\nq-e-qe-7.5/PW/examples/example05/reference/\nq-e-qe-7.5/PW/examples/example05/reference/Ni_gamma_d8s2.out\nq-e-qe-7.5/PW/examples/example05/reference/Ni_gamma_d9s1.out\nq-e-qe-7.5/PW/examples/example05/reference/O.out\nq-e-qe-7.5/PW/examples/example05/reference/O_gamma.out\nq-e-qe-7.5/PW/examples/example05/reference/al.out\nq-e-qe-7.5/PW/examples/example05/run_example\nq-e-qe-7.5/PW/examples/example06/\nq-e-qe-7.5/PW/examples/example06/README\nq-e-qe-7.5/PW/examples/example06/reference/\nq-e-qe-7.5/PW/examples/example06/reference/cu.band.out\nq-e-qe-7.5/PW/examples/example06/reference/cu.cg.out\nq-e-qe-7.5/PW/examples/example06/reference/cu.scf.out\nq-e-qe-7.5/PW/examples/example06/reference/fe.angl.out\nq-e-qe-7.5/PW/examples/example06/reference/fe.band.out\nq-e-qe-7.5/PW/examples/example06/reference/fe.pen.out\nq-e-qe-7.5/PW/examples/example06/reference/fe.scf.out\nq-e-qe-7.5/PW/examples/example06/reference/fe.total.out\nq-e-qe-7.5/PW/examples/example06/reference/ni.band.out\nq-e-qe-7.5/PW/examples/example06/reference/ni.scf.out\nq-e-qe-7.5/PW/examples/example06/reference/o2.relax.out\nq-e-qe-7.5/PW/examples/example06/run_example\nq-e-qe-7.5/PW/examples/example07/\nq-e-qe-7.5/PW/examples/example07/README\nq-e-qe-7.5/PW/examples/example07/reference/\nq-e-qe-7.5/PW/examples/example07/reference/bands.pt.re\nq-e-qe-7.5/PW/examples/example07/reference/pt.nscf.out\nq-e-qe-7.5/PW/examples/example07/reference/pt.scf.out\nq-e-qe-7.5/PW/examples/example07/run_example\nq-e-qe-7.5/PW/examples/example08/\nq-e-qe-7.5/PW/examples/example08/README\nq-e-qe-7.5/PW/examples/example08/reference/\nq-e-qe-7.5/PW/examples/example08/reference/feo_LDA.in\nq-e-qe-7.5/PW/examples/example08/reference/feo_standard.in\nq-e-qe-7.5/PW/examples/example08/reference/feo_user_ns.in\nq-e-qe-7.5/PW/examples/example08/run_example\nq-e-qe-7.5/PW/examples/example09/\nq-e-qe-7.5/PW/examples/example09/README\nq-e-qe-7.5/PW/examples/example09/reference/\nq-e-qe-7.5/PW/examples/example09/reference/c4h6.pw.metaGGA.out\nq-e-qe-7.5/PW/examples/example09/run_example\nq-e-qe-7.5/PW/examples/example10/\nq-e-qe-7.5/PW/examples/example10/README\nq-e-qe-7.5/PW/examples/example10/reference/\nq-e-qe-7.5/PW/examples/example10/reference/alas.scf.efield.out\nq-e-qe-7.5/PW/examples/example10/reference/alas.scf.efield2.out\nq-e-qe-7.5/PW/examples/example10/reference/si.scf.efield.out\nq-e-qe-7.5/PW/examples/example10/reference/si.scf.efield2.out\nq-e-qe-7.5/PW/examples/example10/run_example\nq-e-qe-7.5/PW/examples/example11/\nq-e-qe-7.5/PW/examples/example11/README\nq-e-qe-7.5/PW/examples/example11/reference/\nq-e-qe-7.5/PW/examples/example11/reference/Fe.band_pbe.out\nq-e-qe-7.5/PW/examples/example11/reference/Fe.scf_pbe.out\nq-e-qe-7.5/PW/examples/example11/run_example\nq-e-qe-7.5/PW/examples/example12/\nq-e-qe-7.5/PW/examples/example12/README\nq-e-qe-7.5/PW/examples/example12/reference/\nq-e-qe-7.5/PW/examples/example12/reference/Fe.bands.in\nq-e-qe-7.5/PW/examples/example12/reference/Fe.bands.out\nq-e-qe-7.5/PW/examples/example12/reference/Fe.scf.in\nq-e-qe-7.5/PW/examples/example12/reference/Fe.scf.out\nq-e-qe-7.5/PW/examples/example12/run_example\nq-e-qe-7.5/PW/examples/example13/\nq-e-qe-7.5/PW/examples/example13/reference/\nq-e-qe-7.5/PW/examples/example13/reference/LiCoO2.scf.in\nq-e-qe-7.5/PW/examples/example13/reference/LiCoO2.scf.out\nq-e-qe-7.5/PW/examples/example13/run_example\nq-e-qe-7.5/PW/examples/example14/\nq-e-qe-7.5/PW/examples/example14/README\nq-e-qe-7.5/PW/examples/example14/reference/\nq-e-qe-7.5/PW/examples/example14/reference/srvo3.dmft_scf.out\nq-e-qe-7.5/PW/examples/example14/reference/srvo3.nscf.out\nq-e-qe-7.5/PW/examples/example14/reference/srvo3.scf.out\nq-e-qe-7.5/PW/examples/example14/run_example\nq-e-qe-7.5/PW/examples/example14/srvo3_dmft.h5\nq-e-qe-7.5/PW/examples/example15/\nq-e-qe-7.5/PW/examples/example15/README\nq-e-qe-7.5/PW/examples/example15/reference1/\nq-e-qe-7.5/PW/examples/example15/reference1/FeO.scf.in\nq-e-qe-7.5/PW/examples/example15/reference1/oscdft.in\nq-e-qe-7.5/PW/examples/example15/reference2/\nq-e-qe-7.5/PW/examples/example15/reference2/FeO.scf.in\nq-e-qe-7.5/PW/examples/example15/reference2/oscdft.in\nq-e-qe-7.5/PW/examples/example15/run1\nq-e-qe-7.5/PW/examples/example15/run2\nq-e-qe-7.5/PW/examples/example16/\nq-e-qe-7.5/PW/examples/example16/README\nq-e-qe-7.5/PW/examples/example16/reference/\nq-e-qe-7.5/PW/examples/example16/reference/LiCoO2.scf.1.in\nq-e-qe-7.5/PW/examples/example16/reference/LiCoO2.scf.2.in\nq-e-qe-7.5/PW/examples/example16/run_example\nq-e-qe-7.5/PW/examples/example17/\nq-e-qe-7.5/PW/examples/example17/README\nq-e-qe-7.5/PW/examples/example17/reference/\nq-e-qe-7.5/PW/examples/example17/reference/LiCoO2.scf.in\nq-e-qe-7.5/PW/examples/example17/run_example\nq-e-qe-7.5/PW/examples/gammaDFT_example/\nq-e-qe-7.5/PW/examples/gammaDFT_example/README\nq-e-qe-7.5/PW/examples/gammaDFT_example/reference/\nq-e-qe-7.5/PW/examples/gammaDFT_example/reference/MgO_1.in\nq-e-qe-7.5/PW/examples/gammaDFT_example/reference/MgO_2.in\nq-e-qe-7.5/PW/examples/gammaDFT_example/reference/MgO_3.in\nq-e-qe-7.5/PW/examples/gammaDFT_example/run_example\nq-e-qe-7.5/PW/examples/gatefield/\nq-e-qe-7.5/PW/examples/gatefield/reference/\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10.bands.in\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10.bands.out\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10.in\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10.out\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10_nobarrier.bands.in\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10_nobarrier.bands.out\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10_nobarrier.in\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10_nobarrier.out\nq-e-qe-7.5/PW/examples/gatefield/reference/single_-0.10.in\nq-e-qe-7.5/PW/examples/gatefield/reference/single_-0.10.out\nq-e-qe-7.5/PW/examples/gatefield/run_example\nq-e-qe-7.5/PW/examples/run_all_examples\nq-e-qe-7.5/PW/examples/vdwDF_example/\nq-e-qe-7.5/PW/examples/vdwDF_example/README\nq-e-qe-7.5/PW/examples/vdwDF_example/reference/\nq-e-qe-7.5/PW/examples/vdwDF_example/reference/Ar.scf.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference/graphite.scf.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference/water.scf.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/graphite.scf.+1.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/graphite.scf.-1.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/graphite.scf.0.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/water.scf.+1.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/water.scf.-1.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/water.scf.0.out\nq-e-qe-7.5/PW/examples/vdwDF_example/run_example\nq-e-qe-7.5/PW/examples/vdwDF_example/run_example_delta_scf\nq-e-qe-7.5/PW/src/\nq-e-qe-7.5/PW/src/Coul_cut_2D.f90\nq-e-qe-7.5/PW/src/Makefile\nq-e-qe-7.5/PW/src/a2fmod.f90\nq-e-qe-7.5/PW/src/acfdt_in_pw.f90\nq-e-qe-7.5/PW/src/add_bfield.f90\nq-e-qe-7.5/PW/src/add_dmft_occ.f90\nq-e-qe-7.5/PW/src/add_efield.f90\nq-e-qe-7.5/PW/src/add_gatefield.f90\nq-e-qe-7.5/PW/src/add_paw_to_deeq.f90\nq-e-qe-7.5/PW/src/add_paw_to_deeq_acc.f90\nq-e-qe-7.5/PW/src/add_qexsd_step.f90\nq-e-qe-7.5/PW/src/add_vhub_to_deeq.f90\nq-e-qe-7.5/PW/src/add_vhub_to_deeq_acc.f90\nq-e-qe-7.5/PW/src/add_vuspsi.f90\nq-e-qe-7.5/PW/src/add_vuspsi_acc.f90\nq-e-qe-7.5/PW/src/addusdens.f90\nq-e-qe-7.5/PW/src/addusforce.f90\nq-e-qe-7.5/PW/src/addusstress.f90\nq-e-qe-7.5/PW/src/allocate_fft.f90\nq-e-qe-7.5/PW/src/allocate_locpot.f90\nq-e-qe-7.5/PW/src/allocate_wfc.f90\nq-e-qe-7.5/PW/src/atomic_rho.f90\nq-e-qe-7.5/PW/src/atomic_wfc.f90\nq-e-qe-7.5/PW/src/atomic_wfc_mod.f90\nq-e-qe-7.5/PW/src/average_pp.f90\nq-e-qe-7.5/PW/src/beef.f90\nq-e-qe-7.5/PW/src/bp_c_phase.f90\nq-e-qe-7.5/PW/src/bp_mod.f90\nq-e-qe-7.5/PW/src/bp_strings.f90\nq-e-qe-7.5/PW/src/buffers.f90\nq-e-qe-7.5/PW/src/c_bands.f90\nq-e-qe-7.5/PW/src/c_phase_field.f90\nq-e-qe-7.5/PW/src/cdiagh.f90\nq-e-qe-7.5/PW/src/clean_pw.f90\nq-e-qe-7.5/PW/src/close_files.f90\nq-e-qe-7.5/PW/src/commutator_Hx_psi.f90\nq-e-qe-7.5/PW/src/commutator_Vhubx_psi.f90\nq-e-qe-7.5/PW/src/compute_becsum.f90\nq-e-qe-7.5/PW/src/compute_deff.f90\nq-e-qe-7.5/PW/src/compute_dip.f90\nq-e-qe-7.5/PW/src/compute_qdipol.f90\nq-e-qe-7.5/PW/src/compute_qdipol_so.f90\nq-e-qe-7.5/PW/src/compute_rho.f90\nq-e-qe-7.5/PW/src/compute_ux.f90\nq-e-qe-7.5/PW/src/coset.f90\nq-e-qe-7.5/PW/src/d3hess_mod.f90\nq-e-qe-7.5/PW/src/d_matrix.f90\nq-e-qe-7.5/PW/src/data_structure.f90\nq-e-qe-7.5/PW/src/divide_class.f90\nq-e-qe-7.5/PW/src/divide_class_so.f90\nq-e-qe-7.5/PW/src/divide_et_impera.f90\nq-e-qe-7.5/PW/src/dynamics_module.f90\nq-e-qe-7.5/PW/src/efermig.f90\nq-e-qe-7.5/PW/src/efermit.f90\nq-e-qe-7.5/PW/src/electrons.f90\nq-e-qe-7.5/PW/src/environ_io_stub.f90\nq-e-qe-7.5/PW/src/environ_pw_module.f90\nq-e-qe-7.5/PW/src/eqvect.f90\nq-e-qe-7.5/PW/src/esm.f90\nq-e-qe-7.5/PW/src/esm_common_mod.f90\nq-e-qe-7.5/PW/src/esm_ewald_mod.f90\nq-e-qe-7.5/PW/src/esm_force_mod.f90\nq-e-qe-7.5/PW/src/esm_hartree_mod.f90\nq-e-qe-7.5/PW/src/esm_local_mod.f90\nq-e-qe-7.5/PW/src/esm_stres_mod.f90\nq-e-qe-7.5/PW/src/ewald.f90\nq-e-qe-7.5/PW/src/ewald_dipole.f90\nq-e-qe-7.5/PW/src/extfield.f90\nq-e-qe-7.5/PW/src/exx.f90\nq-e-qe-7.5/PW/src/exx_band.f90\nq-e-qe-7.5/PW/src/exx_base.f90\nq-e-qe-7.5/PW/src/fcp_capacitance.f90\nq-e-qe-7.5/PW/src/fcp_dyn_calcavg.f90\nq-e-qe-7.5/PW/src/fcp_dyn_printavg.f90\nq-e-qe-7.5/PW/src/fcp_dynamics.f90\nq-e-qe-7.5/PW/src/fcp_hessian.f90\nq-e-qe-7.5/PW/src/fcp_input.f90\nq-e-qe-7.5/PW/src/fcp_module.f90\nq-e-qe-7.5/PW/src/fcp_relaxation.f90\nq-e-qe-7.5/PW/src/find_group.f90\nq-e-qe-7.5/PW/src/force_cc.f90\nq-e-qe-7.5/PW/src/force_corr.f90\nq-e-qe-7.5/PW/src/force_ew.f90\nq-e-qe-7.5/PW/src/force_hub.f90\nq-e-qe-7.5/PW/src/force_lc.f90\nq-e-qe-7.5/PW/src/force_us.f90\nq-e-qe-7.5/PW/src/forces.f90\nq-e-qe-7.5/PW/src/forces_bp_efield.f90\nq-e-qe-7.5/PW/src/g2_kin.f90\nq-e-qe-7.5/PW/src/g_psi.f90\nq-e-qe-7.5/PW/src/g_psi_mod.f90\nq-e-qe-7.5/PW/src/gcscf_input.f90\nq-e-qe-7.5/PW/src/gcscf_module.f90\nq-e-qe-7.5/PW/src/gen_at_dj.f90\nq-e-qe-7.5/PW/src/gen_at_dy.f90\nq-e-qe-7.5/PW/src/get_locals.f90\nq-e-qe-7.5/PW/src/gk_sort.f90\nq-e-qe-7.5/PW/src/gradcorr.f90\nq-e-qe-7.5/PW/src/gweights.f90\nq-e-qe-7.5/PW/src/h_epsi_her_apply.f90\nq-e-qe-7.5/PW/src/h_epsi_her_set.f90\nq-e-qe-7.5/PW/src/h_psi.f90\nq-e-qe-7.5/PW/src/h_psi_gpu.f90\nq-e-qe-7.5/PW/src/h_psi_meta.f90\nq-e-qe-7.5/PW/src/hinit0.f90\nq-e-qe-7.5/PW/src/hinit1.f90\nq-e-qe-7.5/PW/src/hs_1psi.f90\nq-e-qe-7.5/PW/src/hs_1psi_gpu.f90\nq-e-qe-7.5/PW/src/hs_psi.f90\nq-e-qe-7.5/PW/src/hs_psi_gpu.f90\nq-e-qe-7.5/PW/src/hubbard.f90\nq-e-qe-7.5/PW/src/init_ns.f90\nq-e-qe-7.5/PW/src/init_nsg.f90\nq-e-qe-7.5/PW/src/init_q_aeps.f90\nq-e-qe-7.5/PW/src/init_run.f90\nq-e-qe-7.5/PW/src/init_us_2.f90\nq-e-qe-7.5/PW/src/init_vloc.f90\nq-e-qe-7.5/PW/src/input.f90\nq-e-qe-7.5/PW/src/intersite_V.f90\nq-e-qe-7.5/PW/src/io_rho_xml.f90\nq-e-qe-7.5/PW/src/irrek.f90\nq-e-qe-7.5/PW/src/iweights.f90\nq-e-qe-7.5/PW/src/kpoint_grid.f90\nq-e-qe-7.5/PW/src/lchk_tauxk.f90\nq-e-qe-7.5/PW/src/ldaU.f90\nq-e-qe-7.5/PW/src/loc_scdm.f90\nq-e-qe-7.5/PW/src/loc_scdm_k.f90\nq-e-qe-7.5/PW/src/make_pointlists.f90\nq-e-qe-7.5/PW/src/manypw.f90\nq-e-qe-7.5/PW/src/martyna_tuckerman.f90\nq-e-qe-7.5/PW/src/memory_report.f90\nq-e-qe-7.5/PW/src/mix_rho.f90\nq-e-qe-7.5/PW/src/move_ions.f90\nq-e-qe-7.5/PW/src/multable.f90\nq-e-qe-7.5/PW/src/n_plane_waves.f90\nq-e-qe-7.5/PW/src/new_ns.f90\nq-e-qe-7.5/PW/src/new_nsb.f90\nq-e-qe-7.5/PW/src/new_nsg.f90\nq-e-qe-7.5/PW/src/new_occ.f90\nq-e-qe-7.5/PW/src/newd_acc.f90\nq-e-qe-7.5/PW/src/non_scf.f90\nq-e-qe-7.5/PW/src/ns_adj.f90\nq-e-qe-7.5/PW/src/nsg_adj.f90\nq-e-qe-7.5/PW/src/offset_atom_wfc.f90\nq-e-qe-7.5/PW/src/openfil.f90\nq-e-qe-7.5/PW/src/orbm_kubo.f90\nq-e-qe-7.5/PW/src/orthoUwfc.f90\nq-e-qe-7.5/PW/src/ortho_wfc.f90\nq-e-qe-7.5/PW/src/orthoatwfc.f90\nq-e-qe-7.5/PW/src/oscdft_base.f90\nq-e-qe-7.5/PW/src/oscdft_context.f90\nq-e-qe-7.5/PW/src/oscdft_enums.f90\nq-e-qe-7.5/PW/src/oscdft_extended.f90\nq-e-qe-7.5/PW/src/oscdft_forces.f90\nq-e-qe-7.5/PW/src/oscdft_forces_subs.f90\nq-e-qe-7.5/PW/src/oscdft_functions.f90\nq-e-qe-7.5/PW/src/oscdft_functions_gpu.f90\nq-e-qe-7.5/PW/src/oscdft_indices.f90\nq-e-qe-7.5/PW/src/oscdft_input.f90\nq-e-qe-7.5/PW/src/oscdft_occupations.f90\nq-e-qe-7.5/PW/src/oscdft_wavefunction.f90\nq-e-qe-7.5/PW/src/oscdft_wavefunction_subs.f90\nq-e-qe-7.5/PW/src/oscdft_wfcO.f90\nq-e-qe-7.5/PW/src/output_tau.f90\nq-e-qe-7.5/PW/src/para.f90\nq-e-qe-7.5/PW/src/paw_exx.f90\nq-e-qe-7.5/PW/src/paw_init.f90\nq-e-qe-7.5/PW/src/paw_onecenter.f90\nq-e-qe-7.5/PW/src/paw_symmetry.f90\nq-e-qe-7.5/PW/src/plugin_check.f90\nq-e-qe-7.5/PW/src/plugin_clean.f90\nq-e-qe-7.5/PW/src/plugin_clock.f90\nq-e-qe-7.5/PW/src/plugin_ext_forces.f90\nq-e-qe-7.5/PW/src/plugin_init_cell.f90\nq-e-qe-7.5/PW/src/plugin_init_ions.f90\nq-e-qe-7.5/PW/src/plugin_init_potential.f90\nq-e-qe-7.5/PW/src/plugin_initbase.f90\nq-e-qe-7.5/PW/src/plugin_initialization.f90\nq-e-qe-7.5/PW/src/plugin_int_forces.f90\nq-e-qe-7.5/PW/src/plugin_print_energies.f90\nq-e-qe-7.5/PW/src/plugin_read_input.f90\nq-e-qe-7.5/PW/src/plugin_scf_energy.f90\nq-e-qe-7.5/PW/src/plugin_scf_potential.f90\nq-e-qe-7.5/PW/src/plugin_summary.f90\nq-e-qe-7.5/PW/src/plus_u_full.f90\nq-e-qe-7.5/PW/src/potinit.f90\nq-e-qe-7.5/PW/src/print_clock_pw.f90\nq-e-qe-7.5/PW/src/print_ks_energies.f90\nq-e-qe-7.5/PW/src/punch.f90\nq-e-qe-7.5/PW/src/pw2blip.f90\nq-e-qe-7.5/PW/src/pw2casino.f90\nq-e-qe-7.5/PW/src/pw2casino_write.f90\nq-e-qe-7.5/PW/src/pw_init_qexsd_input.f90\nq-e-qe-7.5/PW/src/pw_restart_new.f90\nq-e-qe-7.5/PW/src/pwcom.f90\nq-e-qe-7.5/PW/src/pwscf.f90\nq-e-qe-7.5/PW/src/rdiagh.f90\nq-e-qe-7.5/PW/src/read_conf_from_file.f90\nq-e-qe-7.5/PW/src/read_file_new.f90\nq-e-qe-7.5/PW/src/realus.f90\nq-e-qe-7.5/PW/src/remove_atomic_rho.f90\nq-e-qe-7.5/PW/src/report_mag.f90\nq-e-qe-7.5/PW/src/restart_in_electrons.f90\nq-e-qe-7.5/PW/src/rho2zeta.f90\nq-e-qe-7.5/PW/src/rism_module.f90\nq-e-qe-7.5/PW/src/rotate_wfc.f90\nq-e-qe-7.5/PW/src/rotate_wfc_gpu.f90\nq-e-qe-7.5/PW/src/run_driver.f90\nq-e-qe-7.5/PW/src/run_pwscf.f90\nq-e-qe-7.5/PW/src/ruotaijk.f90\nq-e-qe-7.5/PW/src/s_1psi.f90\nq-e-qe-7.5/PW/src/s_1psi_gpu.f90\nq-e-qe-7.5/PW/src/s_psi.f90\nq-e-qe-7.5/PW/src/s_psi_acc.f90\nq-e-qe-7.5/PW/src/save_in_cbands.f90\nq-e-qe-7.5/PW/src/save_in_electrons.f90\nq-e-qe-7.5/PW/src/scale_h.f90\nq-e-qe-7.5/PW/src/scf_mod.f90\nq-e-qe-7.5/PW/src/scissor.f90\nq-e-qe-7.5/PW/src/set_kplusq.f90\nq-e-qe-7.5/PW/src/set_kup_and_kdw.f90\nq-e-qe-7.5/PW/src/set_occupations.f90\nq-e-qe-7.5/PW/src/set_rhoc.f90\nq-e-qe-7.5/PW/src/set_spin_vars.f90\nq-e-qe-7.5/PW/src/set_vrs.f90\nq-e-qe-7.5/PW/src/setlocal.f90\nq-e-qe-7.5/PW/src/setup.f90\nq-e-qe-7.5/PW/src/sic.f90\nq-e-qe-7.5/PW/src/start_k.f90\nq-e-qe-7.5/PW/src/starting_scf_mod.f90\nq-e-qe-7.5/PW/src/stop_run.f90\nq-e-qe-7.5/PW/src/stres_cc.f90\nq-e-qe-7.5/PW/src/stres_ewa.f90\nq-e-qe-7.5/PW/src/stres_gradcorr.f90\nq-e-qe-7.5/PW/src/stres_har.f90\nq-e-qe-7.5/PW/src/stres_hub.f90\nq-e-qe-7.5/PW/src/stres_knl.f90\nq-e-qe-7.5/PW/src/stres_loc.f90\nq-e-qe-7.5/PW/src/stres_mgga.f90\nq-e-qe-7.5/PW/src/stres_nonloc_dft.f90\nq-e-qe-7.5/PW/src/stres_us.f90\nq-e-qe-7.5/PW/src/stress.f90\nq-e-qe-7.5/PW/src/struct_fact.f90\nq-e-qe-7.5/PW/src/sum_band.f90\nq-e-qe-7.5/PW/src/sumkg.f90\nq-e-qe-7.5/PW/src/sumkt.f90\nq-e-qe-7.5/PW/src/summary.f90\nq-e-qe-7.5/PW/src/symm_base.f90\nq-e-qe-7.5/PW/src/symme.f90\nq-e-qe-7.5/PW/src/symmetrize_at.f90\nq-e-qe-7.5/PW/src/tetra.f90\nq-e-qe-7.5/PW/src/transform_becsum_nc.f90\nq-e-qe-7.5/PW/src/transform_becsum_so.f90\nq-e-qe-7.5/PW/src/trnvecc.f90\nq-e-qe-7.5/PW/src/two_chem.f90\nq-e-qe-7.5/PW/src/update_pot.f90\nq-e-qe-7.5/PW/src/us_exx.f90\nq-e-qe-7.5/PW/src/usnldiag.f90\nq-e-qe-7.5/PW/src/utils.f90\nq-e-qe-7.5/PW/src/utils_gpu.f90\nq-e-qe-7.5/PW/src/v_of_rho.f90\nq-e-qe-7.5/PW/src/vcsmd.f90\nq-e-qe-7.5/PW/src/vcsubs.f90\nq-e-qe-7.5/PW/src/vhpsi.f90\nq-e-qe-7.5/PW/src/vhpsi_gpu.f90\nq-e-qe-7.5/PW/src/vloc_psi_acc.f90\nq-e-qe-7.5/PW/src/vloc_psi_tg.f90\nq-e-qe-7.5/PW/src/wannier_check.f90\nq-e-qe-7.5/PW/src/wannier_clean.f90\nq-e-qe-7.5/PW/src/wannier_init.f90\nq-e-qe-7.5/PW/src/wannier_occ.f90\nq-e-qe-7.5/PW/src/weights.f90\nq-e-qe-7.5/PW/src/wfcinit.f90\nq-e-qe-7.5/PW/src/write_ns.f90\nq-e-qe-7.5/PW/src/wsweight.f90\nq-e-qe-7.5/PW/src/xdm_dispersion.f90\nq-e-qe-7.5/PW/tools/\nq-e-qe-7.5/PW/tools/MINpuT.ipynb\nq-e-qe-7.5/PW/tools/MINpuT.py\nq-e-qe-7.5/PW/tools/Makefile\nq-e-qe-7.5/PW/tools/README\nq-e-qe-7.5/PW/tools/README_MINpuT.txt\nq-e-qe-7.5/PW/tools/castep2qe.sh\nq-e-qe-7.5/PW/tools/cell2ibrav.f90\nq-e-qe-7.5/PW/tools/cif2qe.sh\nq-e-qe-7.5/PW/tools/ev.f90\nq-e-qe-7.5/PW/tools/graphene.cif\nq-e-qe-7.5/PW/tools/graphene_hBN.in\nq-e-qe-7.5/PW/tools/hBN.cif\nq-e-qe-7.5/PW/tools/ibrav2cell.f90\nq-e-qe-7.5/PW/tools/kpoints.f90\nq-e-qe-7.5/PW/tools/md_analyzer.sh\nq-e-qe-7.5/PW/tools/pwi2xsf.f90\nq-e-qe-7.5/PW/tools/pwi2xsf.sh\nq-e-qe-7.5/PW/tools/pwo2xsf.sh\nq-e-qe-7.5/PW/tools/qeout2axsf.sh\nq-e-qe-7.5/PW/tools/rism1d.f90\nq-e-qe-7.5/PW/tools/scan_ibrav.f90\nq-e-qe-7.5/PW/tools/system.cif\nq-e-qe-7.5/PW/tools/xsf2pwi.sh\nq-e-qe-7.5/PWCOND/\nq-e-qe-7.5/PWCOND/CMakeLists.txt\nq-e-qe-7.5/PWCOND/Doc/\nq-e-qe-7.5/PWCOND/Doc/INPUT_PWCOND.def\nq-e-qe-7.5/PWCOND/Doc/INPUT_PWCOND.html\nq-e-qe-7.5/PWCOND/Doc/INPUT_PWCOND.txt\nq-e-qe-7.5/PWCOND/Doc/Makefile\nq-e-qe-7.5/PWCOND/Makefile\nq-e-qe-7.5/PWCOND/examples/\nq-e-qe-7.5/PWCOND/examples/clean_all\nq-e-qe-7.5/PWCOND/examples/example01/\nq-e-qe-7.5/PWCOND/examples/example01/README\nq-e-qe-7.5/PWCOND/examples/example01/reference/\nq-e-qe-7.5/PWCOND/examples/example01/reference/AlwireAl.cond.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/AlwireH.cond.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/AlwireH.scf.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/al.cond.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/al.scf.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/alwire.cond.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/alwire.scf.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/alwire1.scf.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.al.co\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.al.im\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.al.re\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.alwire.co\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.alwire.im\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.alwire.re\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.ni_down.co\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.ni_down.im\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.ni_down.re\nq-e-qe-7.5/PWCOND/examples/example01/reference/ni.cond.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/ni.scf.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/trans.alwire\nq-e-qe-7.5/PWCOND/examples/example01/reference/trans.alwireh\nq-e-qe-7.5/PWCOND/examples/example01/run_example\nq-e-qe-7.5/PWCOND/examples/example02/\nq-e-qe-7.5/PWCOND/examples/example02/README\nq-e-qe-7.5/PWCOND/examples/example02/reference/\nq-e-qe-7.5/PWCOND/examples/example02/reference/pt.cond.out\nq-e-qe-7.5/PWCOND/examples/example02/reference/pt.cond_t.out\nq-e-qe-7.5/PWCOND/examples/example02/reference/pt.tet.out\nq-e-qe-7.5/PWCOND/examples/example02/reference/pt4.out\nq-e-qe-7.5/PWCOND/examples/example02/run_example\nq-e-qe-7.5/PWCOND/examples/example03/\nq-e-qe-7.5/PWCOND/examples/example03/README\nq-e-qe-7.5/PWCOND/examples/example03/reference/\nq-e-qe-7.5/PWCOND/examples/example03/reference/Auwire.cond.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/Auwire.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/Auwire1.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/Auwire1U.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/AuwireU.cond.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/AuwireU.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/COatAuwire.cond.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/COatAuwire.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/COatAuwireU.cond.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/COatAuwireU.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/bands.Auwire.co_im\nq-e-qe-7.5/PWCOND/examples/example03/reference/bands.Auwire.co_re\nq-e-qe-7.5/PWCOND/examples/example03/reference/bands.Auwire.im\nq-e-qe-7.5/PWCOND/examples/example03/reference/bands.Auwire.re\nq-e-qe-7.5/PWCOND/examples/example03/reference/bandsU.Auwire.co_im\nq-e-qe-7.5/PWCOND/examples/example03/reference/bandsU.Auwire.co_re\nq-e-qe-7.5/PWCOND/examples/example03/reference/bandsU.Auwire.im\nq-e-qe-7.5/PWCOND/examples/example03/reference/bandsU.Auwire.re\nq-e-qe-7.5/PWCOND/examples/example03/reference/plot_results.gnu\nq-e-qe-7.5/PWCOND/examples/example03/reference/trans.AuwireCO\nq-e-qe-7.5/PWCOND/examples/example03/reference/transU.AuwireCO\nq-e-qe-7.5/PWCOND/examples/example03/run_example\nq-e-qe-7.5/PWCOND/examples/run_all_examples\nq-e-qe-7.5/PWCOND/src/\nq-e-qe-7.5/PWCOND/src/Makefile\nq-e-qe-7.5/PWCOND/src/allocate_cond.f90\nq-e-qe-7.5/PWCOND/src/bessj.f90\nq-e-qe-7.5/PWCOND/src/compbs.f90\nq-e-qe-7.5/PWCOND/src/compbs_2.f90\nq-e-qe-7.5/PWCOND/src/cond_out.f90\nq-e-qe-7.5/PWCOND/src/cond_restart.f90\nq-e-qe-7.5/PWCOND/src/condcom.f90\nq-e-qe-7.5/PWCOND/src/condmain.f90\nq-e-qe-7.5/PWCOND/src/do_cond.f90\nq-e-qe-7.5/PWCOND/src/eigenchnl.f90\nq-e-qe-7.5/PWCOND/src/form_zk.f90\nq-e-qe-7.5/PWCOND/src/four.f90\nq-e-qe-7.5/PWCOND/src/free_mem.f90\nq-e-qe-7.5/PWCOND/src/gep_x.f90\nq-e-qe-7.5/PWCOND/src/gramsh.f90\nq-e-qe-7.5/PWCOND/src/hev_ab.f90\nq-e-qe-7.5/PWCOND/src/init_cond.f90\nq-e-qe-7.5/PWCOND/src/init_gper.f90\nq-e-qe-7.5/PWCOND/src/init_orbitals.f90\nq-e-qe-7.5/PWCOND/src/integrals.f90\nq-e-qe-7.5/PWCOND/src/jbloch.f90\nq-e-qe-7.5/PWCOND/src/kbloch.f90\nq-e-qe-7.5/PWCOND/src/local.f90\nq-e-qe-7.5/PWCOND/src/local_set.f90\nq-e-qe-7.5/PWCOND/src/openfil_cond.f90\nq-e-qe-7.5/PWCOND/src/plus_u_setup.f90\nq-e-qe-7.5/PWCOND/src/poten.f90\nq-e-qe-7.5/PWCOND/src/print_clock_pwcond.f90\nq-e-qe-7.5/PWCOND/src/realus_scatt.f90\nq-e-qe-7.5/PWCOND/src/rotproc.f90\nq-e-qe-7.5/PWCOND/src/save_cond.f90\nq-e-qe-7.5/PWCOND/src/scat_states_plot.f90\nq-e-qe-7.5/PWCOND/src/scatter_forw.f90\nq-e-qe-7.5/PWCOND/src/summary_band.f90\nq-e-qe-7.5/PWCOND/src/summary_tran.f90\nq-e-qe-7.5/PWCOND/src/sunitary.f90\nq-e-qe-7.5/PWCOND/src/transmit.f90\nq-e-qe-7.5/QEHeat/\nq-e-qe-7.5/QEHeat/CMakeLists.txt\nq-e-qe-7.5/QEHeat/Doc/\nq-e-qe-7.5/QEHeat/Doc/INPUT_ALL_CURRENTS.def\nq-e-qe-7.5/QEHeat/Doc/INPUT_ALL_CURRENTS.html\nq-e-qe-7.5/QEHeat/Doc/INPUT_ALL_CURRENTS.txt\nq-e-qe-7.5/QEHeat/Doc/Makefile\nq-e-qe-7.5/QEHeat/Doc/input_xx.xsl\nq-e-qe-7.5/QEHeat/Makefile\nq-e-qe-7.5/QEHeat/README\nq-e-qe-7.5/QEHeat/examples/\nq-e-qe-7.5/QEHeat/examples/README.md\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/input\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/reference/\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/reference/current_hz\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/reference/current_hz.dat\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/reference/output\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/run_example.sh\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/traj.pos\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/traj.vel\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/input_energycurrent\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/reference/\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/reference/current_hz\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/reference/current_hz.dat\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/reference/output_energycurrent\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/run_example.sh\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/input_all_currents\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/input_cp\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/current_hz\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/current_hz.dat\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/out_all_currents\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/out_cp\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.0_0\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.cel\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.con\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.eig\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.evp\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.for\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.hrs\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.ncg\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.nos\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.pol\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.pos\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.spr\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.str\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.the\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.vel\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.wfc\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/run_example_water\nq-e-qe-7.5/QEHeat/examples/pseudo/\nq-e-qe-7.5/QEHeat/examples/pseudo/Ar_ONCV_PBE-1.0.upf\nq-e-qe-7.5/QEHeat/examples/pseudo/H_HSCV_PBE-1.0.upf\nq-e-qe-7.5/QEHeat/examples/pseudo/O_HSCV_PBE-1.0.upf\nq-e-qe-7.5/QEHeat/examples/pseudo/O_ONCV_PBE-1.0.upf\nq-e-qe-7.5/QEHeat/examples/pseudo/Si_ONCV_PBE-1.1.upf\nq-e-qe-7.5/QEHeat/src/\nq-e-qe-7.5/QEHeat/src/Makefile\nq-e-qe-7.5/QEHeat/src/all_currents.f90\nq-e-qe-7.5/QEHeat/src/averages.f90\nq-e-qe-7.5/QEHeat/src/compute_charge.f90\nq-e-qe-7.5/QEHeat/src/cpv_traj.f90\nq-e-qe-7.5/QEHeat/src/cpv_traj_test.f90\nq-e-qe-7.5/QEHeat/src/ec_functionals.f90\nq-e-qe-7.5/QEHeat/src/hartree_xc_mod.f90\nq-e-qe-7.5/QEHeat/src/init_us_3.f90\nq-e-qe-7.5/QEHeat/src/ionic_mod.f90\nq-e-qe-7.5/QEHeat/src/kohn_sham_mod.f90\nq-e-qe-7.5/QEHeat/src/project.f90\nq-e-qe-7.5/QEHeat/src/scf_result.f90\nq-e-qe-7.5/QEHeat/src/test_h_psi_s_psi_commutator_Hx_psi.f90\nq-e-qe-7.5/QEHeat/src/traj_object.f90\nq-e-qe-7.5/QEHeat/src/zero_mod.f90\nq-e-qe-7.5/README.md\nq-e-qe-7.5/README_GPU.md\nq-e-qe-7.5/TDDFPT/\nq-e-qe-7.5/TDDFPT/.dependencies\nq-e-qe-7.5/TDDFPT/CMakeLists.txt\nq-e-qe-7.5/TDDFPT/ColorCalculator/\nq-e-qe-7.5/TDDFPT/ColorCalculator/CIEx\nq-e-qe-7.5/TDDFPT/ColorCalculator/CIEy\nq-e-qe-7.5/TDDFPT/ColorCalculator/CIEz\nq-e-qe-7.5/TDDFPT/ColorCalculator/ColorCalculator5.jar\nq-e-qe-7.5/TDDFPT/ColorCalculator/D65.light\nq-e-qe-7.5/TDDFPT/ColorCalculator/Install\nq-e-qe-7.5/TDDFPT/ColorCalculator/Makefile\nq-e-qe-7.5/TDDFPT/ColorCalculator/README\nq-e-qe-7.5/TDDFPT/ColorCalculator/colorBlue.dat\nq-e-qe-7.5/TDDFPT/ColorCalculator/pelargonin_inter_sort.dat\nq-e-qe-7.5/TDDFPT/ColorCalculator/pelargonin_no_inter.dat\nq-e-qe-7.5/TDDFPT/ColorCalculator/pelargonin_no_inter_no_sort.dat\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/ColorCalculator.java\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/ColorWindow.java\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/GUITools.java\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/Graph.java\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/GraphFactory.java\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/Manifest.txt\nq-e-qe-7.5/TDDFPT/Doc/\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Davidson.def\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Davidson.html\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Davidson.txt\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Davidson.xml\nq-e-qe-7.5/TDDFPT/Doc/INPUT_EELS.def\nq-e-qe-7.5/TDDFPT/Doc/INPUT_EELS.html\nq-e-qe-7.5/TDDFPT/Doc/INPUT_EELS.txt\nq-e-qe-7.5/TDDFPT/Doc/INPUT_EELS.xml\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Lanczos.def\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Lanczos.html\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Lanczos.txt\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Lanczos.xml\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Magnon.def\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Magnon.html\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Magnon.txt\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Spectrum.def\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Spectrum.html\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Spectrum.txt\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Spectrum.xml\nq-e-qe-7.5/TDDFPT/Doc/Makefile\nq-e-qe-7.5/TDDFPT/Makefile\nq-e-qe-7.5/TDDFPT/README\nq-e-qe-7.5/TDDFPT/examples/\nq-e-qe-7.5/TDDFPT/examples/README\nq-e-qe-7.5/TDDFPT/examples/clean_all\nq-e-qe-7.5/TDDFPT/examples/example01/\nq-e-qe-7.5/TDDFPT/examples/example01/reference/\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example01/run_example\nq-e-qe-7.5/TDDFPT/examples/example02/\nq-e-qe-7.5/TDDFPT/examples/example02/reference/\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.scf.in\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.scf.out\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example02/run_example\nq-e-qe-7.5/TDDFPT/examples/example03/\nq-e-qe-7.5/TDDFPT/examples/example03/reference/\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.scf.in\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.scf.out\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example03/run_example\nq-e-qe-7.5/TDDFPT/examples/example04/\nq-e-qe-7.5/TDDFPT/examples/example04/reference/\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example04/run_example\nq-e-qe-7.5/TDDFPT/examples/example05/\nq-e-qe-7.5/TDDFPT/examples/example05/reference/\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example05/run_example\nq-e-qe-7.5/TDDFPT/examples/example06/\nq-e-qe-7.5/TDDFPT/examples/example06/reference/\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt2.in\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt2.out\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example06/reference/README\nq-e-qe-7.5/TDDFPT/examples/example06/run_example\nq-e-qe-7.5/TDDFPT/examples/example07/\nq-e-qe-7.5/TDDFPT/examples/example07/reference/\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example07/reference/environ.in\nq-e-qe-7.5/TDDFPT/examples/example07/run_example\nq-e-qe-7.5/TDDFPT/examples/example08/\nq-e-qe-7.5/TDDFPT/examples/example08/reference/\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.eigen\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.plot.dat\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example08/run_example\nq-e-qe-7.5/TDDFPT/examples/example09/\nq-e-qe-7.5/TDDFPT/examples/example09/reference/\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.eigen\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.plot.dat\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.scf.in\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.scf.out\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example09/run_example\nq-e-qe-7.5/TDDFPT/examples/example10/\nq-e-qe-7.5/TDDFPT/examples/example10/reference/\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.eigen\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.plot.dat\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example10/run_example\nq-e-qe-7.5/TDDFPT/examples/example11/\nq-e-qe-7.5/TDDFPT/examples/example11/reference/\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.eigen\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.plot.dat\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example11/reference/environ.in\nq-e-qe-7.5/TDDFPT/examples/example11/run_example\nq-e-qe-7.5/TDDFPT/examples/example12/\nq-e-qe-7.5/TDDFPT/examples/example12/reference/\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.eigen\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.plot.dat\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.pp.in\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.pp.out\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.scf.in\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.scf.out\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example12/reference/drho-of-eign-1.cube\nq-e-qe-7.5/TDDFPT/examples/example12/run_example\nq-e-qe-7.5/TDDFPT/examples/example13/\nq-e-qe-7.5/TDDFPT/examples/example13/reference/\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.scf.in\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.scf.out\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example13/run_example\nq-e-qe-7.5/TDDFPT/examples/example14/\nq-e-qe-7.5/TDDFPT/examples/example14/reference/\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.scf.in\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.scf.out\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example14/run_example\nq-e-qe-7.5/TDDFPT/examples/example15/\nq-e-qe-7.5/TDDFPT/examples/example15/reference/\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.scf.in\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.scf.out\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example15/run_example\nq-e-qe-7.5/TDDFPT/examples/example16/\nq-e-qe-7.5/TDDFPT/examples/example16/reference/\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.scf.in\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.scf.out\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example16/run_example\nq-e-qe-7.5/TDDFPT/examples/example17/\nq-e-qe-7.5/TDDFPT/examples/example17/reference/\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.scf.in\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.scf.out\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example17/run_example\nq-e-qe-7.5/TDDFPT/examples/example18/\nq-e-qe-7.5/TDDFPT/examples/example18/reference/\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.scf.in\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.scf.out\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example18/run_example\nq-e-qe-7.5/TDDFPT/examples/example19/\nq-e-qe-7.5/TDDFPT/examples/example19/reference/\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.scf.in\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.scf.out\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example19/run_example\nq-e-qe-7.5/TDDFPT/examples/run_all_examples\nq-e-qe-7.5/TDDFPT/src/\nq-e-qe-7.5/TDDFPT/src/Makefile\nq-e-qe-7.5/TDDFPT/src/bcast_lr_input.f90\nq-e-qe-7.5/TDDFPT/src/dveqpsi_us.f90\nq-e-qe-7.5/TDDFPT/src/dveqpsi_us_only.f90\nq-e-qe-7.5/TDDFPT/src/environ_td_module.f90\nq-e-qe-7.5/TDDFPT/src/linear_solvers.f90\nq-e-qe-7.5/TDDFPT/src/lr_Opsi_magnons.f90\nq-e-qe-7.5/TDDFPT/src/lr_addus_dvpsi.f90\nq-e-qe-7.5/TDDFPT/src/lr_alloc_init.f90\nq-e-qe-7.5/TDDFPT/src/lr_apply_liouvillian.f90\nq-e-qe-7.5/TDDFPT/src/lr_apply_liouvillian_eels.f90\nq-e-qe-7.5/TDDFPT/src/lr_apply_liouvillian_magnons.f90\nq-e-qe-7.5/TDDFPT/src/lr_calc_dens.f90\nq-e-qe-7.5/TDDFPT/src/lr_calc_dens_eels.f90\nq-e-qe-7.5/TDDFPT/src/lr_calc_dens_eels_nc.f90\nq-e-qe-7.5/TDDFPT/src/lr_calc_dens_magnons.f90\nq-e-qe-7.5/TDDFPT/src/lr_charg_resp.f90\nq-e-qe-7.5/TDDFPT/src/lr_compute_intq.f90\nq-e-qe-7.5/TDDFPT/src/lr_dav_main.f90\nq-e-qe-7.5/TDDFPT/src/lr_dav_routines.f90\nq-e-qe-7.5/TDDFPT/src/lr_dav_variables.f90\nq-e-qe-7.5/TDDFPT/src/lr_dealloc.f90\nq-e-qe-7.5/TDDFPT/src/lr_dv_setup.f90\nq-e-qe-7.5/TDDFPT/src/lr_dvpsi_e.f90\nq-e-qe-7.5/TDDFPT/src/lr_dvpsi_eels.f90\nq-e-qe-7.5/TDDFPT/src/lr_dvpsi_magnons.f90\nq-e-qe-7.5/TDDFPT/src/lr_eels_main.f90\nq-e-qe-7.5/TDDFPT/src/lr_exx_kernel.f90\nq-e-qe-7.5/TDDFPT/src/lr_init_nfo.f90\nq-e-qe-7.5/TDDFPT/src/lr_lanczos.f90\nq-e-qe-7.5/TDDFPT/src/lr_magnons_main.f90\nq-e-qe-7.5/TDDFPT/src/lr_magnons_routines.f90\nq-e-qe-7.5/TDDFPT/src/lr_main.f90\nq-e-qe-7.5/TDDFPT/src/lr_mix_pot.f90\nq-e-qe-7.5/TDDFPT/src/lr_normalise.f90\nq-e-qe-7.5/TDDFPT/src/lr_ortho.f90\nq-e-qe-7.5/TDDFPT/src/lr_psym_eels.f90\nq-e-qe-7.5/TDDFPT/src/lr_read_d0psi.f90\nq-e-qe-7.5/TDDFPT/src/lr_read_wf.f90\nq-e-qe-7.5/TDDFPT/src/lr_readin.f90\nq-e-qe-7.5/TDDFPT/src/lr_restart.f90\nq-e-qe-7.5/TDDFPT/src/lr_run_nscf.f90\nq-e-qe-7.5/TDDFPT/src/lr_set_boxes_density.f90\nq-e-qe-7.5/TDDFPT/src/lr_set_intq_nc.f90\nq-e-qe-7.5/TDDFPT/src/lr_setup_nscf.f90\nq-e-qe-7.5/TDDFPT/src/lr_smallgq.f90\nq-e-qe-7.5/TDDFPT/src/lr_solve_e.f90\nq-e-qe-7.5/TDDFPT/src/lr_sternheimer.f90\nq-e-qe-7.5/TDDFPT/src/lr_summary.f90\nq-e-qe-7.5/TDDFPT/src/lr_sym_eels.f90\nq-e-qe-7.5/TDDFPT/src/lr_test_restart.f90\nq-e-qe-7.5/TDDFPT/src/lr_transform_intq_nc.f90\nq-e-qe-7.5/TDDFPT/src/lr_transform_intq_so.f90\nq-e-qe-7.5/TDDFPT/src/lr_us.f90\nq-e-qe-7.5/TDDFPT/src/lr_variables.f90\nq-e-qe-7.5/TDDFPT/src/lr_write_restart.f90\nq-e-qe-7.5/TDDFPT/src/orthogonalize_omega.f90\nq-e-qe-7.5/TDDFPT/src/paw_add_symmetry.f90\nq-e-qe-7.5/TDDFPT/src/plugin_tddfpt_potential.f90\nq-e-qe-7.5/TDDFPT/src/print_clock_lr.f90\nq-e-qe-7.5/TDDFPT/src/sd0psi.f90\nq-e-qe-7.5/TDDFPT/src/stop_lr.f90\nq-e-qe-7.5/TDDFPT/src/turbo_spectrum.f90\nq-e-qe-7.5/UtilXlib/\nq-e-qe-7.5/UtilXlib/CMakeLists.txt\nq-e-qe-7.5/UtilXlib/Makefile\nq-e-qe-7.5/UtilXlib/Makefile.test\nq-e-qe-7.5/UtilXlib/README.md\nq-e-qe-7.5/UtilXlib/c_mkdir.c\nq-e-qe-7.5/UtilXlib/clib_wrappers.f90\nq-e-qe-7.5/UtilXlib/clocks_handler.f90\nq-e-qe-7.5/UtilXlib/copy.c\nq-e-qe-7.5/UtilXlib/cptimer.c\nq-e-qe-7.5/UtilXlib/data_buffer.f90\nq-e-qe-7.5/UtilXlib/device_helper.f90\nq-e-qe-7.5/UtilXlib/divide.f90\nq-e-qe-7.5/UtilXlib/error_handler.f90\nq-e-qe-7.5/UtilXlib/eval_infix.c\nq-e-qe-7.5/UtilXlib/export_gstart_2_solvers.f90\nq-e-qe-7.5/UtilXlib/find_free_unit.f90\nq-e-qe-7.5/UtilXlib/fletcher32.c\nq-e-qe-7.5/UtilXlib/fletcher32_mod.f90\nq-e-qe-7.5/UtilXlib/hash.f90\nq-e-qe-7.5/UtilXlib/md5.c\nq-e-qe-7.5/UtilXlib/md5.h\nq-e-qe-7.5/UtilXlib/md5_from_file.c\nq-e-qe-7.5/UtilXlib/mem_counter.f90\nq-e-qe-7.5/UtilXlib/memstat.c\nq-e-qe-7.5/UtilXlib/memusage.c\nq-e-qe-7.5/UtilXlib/mp.f90\nq-e-qe-7.5/UtilXlib/mp_bands_util.f90\nq-e-qe-7.5/UtilXlib/mp_base.f90\nq-e-qe-7.5/UtilXlib/mp_base_gpu.f90\nq-e-qe-7.5/UtilXlib/nvtx_wrapper.f90\nq-e-qe-7.5/UtilXlib/parallel_include.f90\nq-e-qe-7.5/UtilXlib/print_mem.f90\nq-e-qe-7.5/UtilXlib/ptrace.c\nq-e-qe-7.5/UtilXlib/set_mpi_comm_4_solvers.f90\nq-e-qe-7.5/UtilXlib/tests/\nq-e-qe-7.5/UtilXlib/tests/Makefile\nq-e-qe-7.5/UtilXlib/tests/README.md\nq-e-qe-7.5/UtilXlib/tests/compile_and_run_tests.sh\nq-e-qe-7.5/UtilXlib/tests/gen_tests.py\nq-e-qe-7.5/UtilXlib/tests/mp_world.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_allgatherv_type_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_alltoall.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_alltoall_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_c4d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_c5d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_c6d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_i1.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_i1_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_i4d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_im.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_im_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_it.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_it_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_iv.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_iv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_iv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_iv_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_lv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_lv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_r4d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_r5d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_rv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_rv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_circular_shift_left_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_count_nodes.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_gather_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_gatherv_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_gatherv_type_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_get_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_max_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_max_iv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_max_iv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_max_rv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_max_rv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_min_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_min_iv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_min_iv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_min_rv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_min_rv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_put_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_root_sum_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_sum_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_sum_iv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_sum_iv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_sum_rv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_sum_rv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_offload_macros.f90\nq-e-qe-7.5/UtilXlib/tests/tester.f90\nq-e-qe-7.5/UtilXlib/tests/utils.f90\nq-e-qe-7.5/UtilXlib/thread_util.f90\nq-e-qe-7.5/UtilXlib/util_param.f90\nq-e-qe-7.5/XClib/\nq-e-qe-7.5/XClib/CMakeLists.txt\nq-e-qe-7.5/XClib/Ford/\nq-e-qe-7.5/XClib/Ford/Ford.md\nq-e-qe-7.5/XClib/Ford/pagedir/\nq-e-qe-7.5/XClib/Ford/pagedir/index.md\nq-e-qe-7.5/XClib/Makefile\nq-e-qe-7.5/XClib/README.BEEF\nq-e-qe-7.5/XClib/README.TEST\nq-e-qe-7.5/XClib/beefleg.h\nq-e-qe-7.5/XClib/beefun.c\nq-e-qe-7.5/XClib/dft_setting_params.f90\nq-e-qe-7.5/XClib/dft_setting_routines.f90\nq-e-qe-7.5/XClib/pbecor.c\nq-e-qe-7.5/XClib/pbecor.h\nq-e-qe-7.5/XClib/qe_constants.f90\nq-e-qe-7.5/XClib/qe_dft_list.f90\nq-e-qe-7.5/XClib/qe_dft_refs.f90\nq-e-qe-7.5/XClib/qe_drivers_d_gga.f90\nq-e-qe-7.5/XClib/qe_drivers_d_lda_lsda.f90\nq-e-qe-7.5/XClib/qe_drivers_gga.f90\nq-e-qe-7.5/XClib/qe_drivers_lda_lsda.f90\nq-e-qe-7.5/XClib/qe_drivers_mgga.f90\nq-e-qe-7.5/XClib/qe_funct_corr_gga.f90\nq-e-qe-7.5/XClib/qe_funct_corr_lda_lsda.f90\nq-e-qe-7.5/XClib/qe_funct_exch_gga.f90\nq-e-qe-7.5/XClib/qe_funct_exch_lda_lsda.f90\nq-e-qe-7.5/XClib/qe_funct_mgga.f90\nq-e-qe-7.5/XClib/qe_kind.f90\nq-e-qe-7.5/XClib/test_input_files/\nq-e-qe-7.5/XClib/test_input_files/all_shorts.xml\nq-e-qe-7.5/XClib/test_input_files/all_terms.xml\nq-e-qe-7.5/XClib/test_input_files/exe_test.in\nq-e-qe-7.5/XClib/test_input_files/gen_test.in\nq-e-qe-7.5/XClib/test_input_files/test_all_shorts.in\nq-e-qe-7.5/XClib/test_input_files/test_all_terms.in\nq-e-qe-7.5/XClib/xc_beef_interface.f90\nq-e-qe-7.5/XClib/xc_infos.f90\nq-e-qe-7.5/XClib/xc_lib.f90\nq-e-qe-7.5/XClib/xc_wrapper_d_gga.f90\nq-e-qe-7.5/XClib/xc_wrapper_d_lda_lsda.f90\nq-e-qe-7.5/XClib/xc_wrapper_gga.f90\nq-e-qe-7.5/XClib/xc_wrapper_lda_lsda.f90\nq-e-qe-7.5/XClib/xc_wrapper_mgga.f90\nq-e-qe-7.5/XClib/xclib_error.f90\nq-e-qe-7.5/XClib/xclib_test.f90\nq-e-qe-7.5/XClib/xclib_utils_and_para.f90\nq-e-qe-7.5/XSpectra/\nq-e-qe-7.5/XSpectra/CMakeLists.txt\nq-e-qe-7.5/XSpectra/Doc/\nq-e-qe-7.5/XSpectra/Doc/INPUT_MOLECULARNEXAFS\nq-e-qe-7.5/XSpectra/Doc/INPUT_SPECTRA_CORRECTION\nq-e-qe-7.5/XSpectra/Doc/INPUT_SPECTRA_MANIPULATION\nq-e-qe-7.5/XSpectra/Doc/INPUT_XSPECTRA\nq-e-qe-7.5/XSpectra/Makefile\nq-e-qe-7.5/XSpectra/README\nq-e-qe-7.5/XSpectra/examples/\nq-e-qe-7.5/XSpectra/examples/pseudo/\nq-e-qe-7.5/XSpectra/examples/pseudo/C_PBE_TM_2pj.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/Ch_PBE_TM_2pj.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/Cu_US_PBE_3pj_lowE.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/Cu_halfh_US_PBE_3pj.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/Ni_PBE_TM_2pj.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/O_PBE_TM.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/O_PBE_USPP.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/Si_PBE_USPP.UPF\nq-e-qe-7.5/XSpectra/examples/reference/\nq-e-qe-7.5/XSpectra/examples/reference/C.wfc\nq-e-qe-7.5/XSpectra/examples/reference/Cu.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/Cu.wfc\nq-e-qe-7.5/XSpectra/examples/reference/Cu_halfh.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu_halfh.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/Cu_halfh_xspectra.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu_halfh_xspectra.out\nq-e-qe-7.5/XSpectra/examples/reference/Cu_halfh_xspectra_xonlyplot.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xanes_L2.dat\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xanes_L2.sav\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xanes_L2_lplus.dat\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xanes_L2_lplus.sav\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xspectra.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xspectra.out\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xspectra_lplus.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xspectra_lplus.out\nq-e-qe-7.5/XSpectra/examples/reference/Cuhalfh_xanes_L2.dat\nq-e-qe-7.5/XSpectra/examples/reference/Cuhalfh_xanes_L2.sav\nq-e-qe-7.5/XSpectra/examples/reference/Cuhalfh_xanes_L2_xonlyplot.dat\nq-e-qe-7.5/XSpectra/examples/reference/Ni.wfc\nq-e-qe-7.5/XSpectra/examples/reference/NiO.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/NiO.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip.dat\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip.in\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip.out\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip.sav\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip_replot.dat\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip_replot.in\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip_replot.out\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_qua.dat\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_qua.in\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_qua.out\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_qua.sav\nq-e-qe-7.5/XSpectra/examples/reference/Si.wfc\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_c.dat\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_c.in\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_c.out\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_c.sav\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_plane.dat\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_plane.in\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_plane.out\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_plane.sav\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.in\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.out\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.sav\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.dat\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.in\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.out\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.sav\nq-e-qe-7.5/XSpectra/examples/reference/diamond.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/diamond.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra.dat\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra.in\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra.out\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra.sav\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra_fermi.in\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra_fermi.out\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra_replot.dat\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra_replot.in\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra_replot.out\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra.dat\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra.in\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra.out\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra.sav\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra_fermi.in\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra_fermi.out\nq-e-qe-7.5/XSpectra/examples/run_example_Cu_L23\nq-e-qe-7.5/XSpectra/examples/run_example_NiO\nq-e-qe-7.5/XSpectra/examples/run_example_SiO2_USPP\nq-e-qe-7.5/XSpectra/examples/run_example_diamond\nq-e-qe-7.5/XSpectra/src/\nq-e-qe-7.5/XSpectra/src/Makefile\nq-e-qe-7.5/XSpectra/src/assign_paw_radii_to_species.f90\nq-e-qe-7.5/XSpectra/src/banner_xspectra.f90\nq-e-qe-7.5/XSpectra/src/check_orthogonality_k_epsilon.f90\nq-e-qe-7.5/XSpectra/src/gaunt_mod.f90\nq-e-qe-7.5/XSpectra/src/init_gipaw_1.f90\nq-e-qe-7.5/XSpectra/src/init_gipaw_2.f90\nq-e-qe-7.5/XSpectra/src/io_routines.f90\nq-e-qe-7.5/XSpectra/src/ipoolscatter.f90\nq-e-qe-7.5/XSpectra/src/lanczos.f90\nq-e-qe-7.5/XSpectra/src/lr_sm1_psi.f90\nq-e-qe-7.5/XSpectra/src/molecularnexafs.f90\nq-e-qe-7.5/XSpectra/src/mygetK.f90\nq-e-qe-7.5/XSpectra/src/paw_gipaw.f90\nq-e-qe-7.5/XSpectra/src/plot_xanes_cross_sections.f90\nq-e-qe-7.5/XSpectra/src/radin_mod.f90\nq-e-qe-7.5/XSpectra/src/read_input_and_bcast.f90\nq-e-qe-7.5/XSpectra/src/read_k_points.f90\nq-e-qe-7.5/XSpectra/src/reset_k_points_and_reinit.f90\nq-e-qe-7.5/XSpectra/src/select_nl_init.f90\nq-e-qe-7.5/XSpectra/src/set_xspectra_namelists_defaults.f90\nq-e-qe-7.5/XSpectra/src/spectra_correction.f90\nq-e-qe-7.5/XSpectra/src/stdout_routines.f90\nq-e-qe-7.5/XSpectra/src/xanes_dipole.f90\nq-e-qe-7.5/XSpectra/src/xanes_dipole_general_edge.f90\nq-e-qe-7.5/XSpectra/src/xanes_quadrupole.f90\nq-e-qe-7.5/XSpectra/src/xspectra.f90\nq-e-qe-7.5/XSpectra/src/xspectra_mod.f90\nq-e-qe-7.5/XSpectra/src/xspectra_utils.f90\nq-e-qe-7.5/XSpectra/tools/\nq-e-qe-7.5/XSpectra/tools/upf2plotcore.sh\nq-e-qe-7.5/archive/\nq-e-qe-7.5/archive/.gitignore\nq-e-qe-7.5/archive/README.md\nq-e-qe-7.5/atomic/\nq-e-qe-7.5/atomic/CMakeLists.txt\nq-e-qe-7.5/atomic/Doc/\nq-e-qe-7.5/atomic/Doc/ChangeLog\nq-e-qe-7.5/atomic/Doc/INPUT_LD1.def\nq-e-qe-7.5/atomic/Doc/INPUT_LD1.html\nq-e-qe-7.5/atomic/Doc/INPUT_LD1.txt\nq-e-qe-7.5/atomic/Doc/Makefile\nq-e-qe-7.5/atomic/Doc/pseudo-gen-fig1.pdf\nq-e-qe-7.5/atomic/Doc/pseudo-gen-fig2.pdf\nq-e-qe-7.5/atomic/Doc/pseudo-gen-fig3.pdf\nq-e-qe-7.5/atomic/Doc/pseudo-gen-fig4.pdf\nq-e-qe-7.5/atomic/Doc/pseudo-gen.pdf\nq-e-qe-7.5/atomic/Doc/pseudo-gen.tex\nq-e-qe-7.5/atomic/KLI.md\nq-e-qe-7.5/atomic/Makefile\nq-e-qe-7.5/atomic/README\nq-e-qe-7.5/atomic/examples/\nq-e-qe-7.5/atomic/examples/all-electron/\nq-e-qe-7.5/atomic/examples/all-electron/AAREADME\nq-e-qe-7.5/atomic/examples/all-electron/ar.in\nq-e-qe-7.5/atomic/examples/all-electron/c_oep.in\nq-e-qe-7.5/atomic/examples/all-electron/clean.sh\nq-e-qe-7.5/atomic/examples/all-electron/cu.in\nq-e-qe-7.5/atomic/examples/all-electron/cu1.in\nq-e-qe-7.5/atomic/examples/all-electron/f.in\nq-e-qe-7.5/atomic/examples/all-electron/fe.in\nq-e-qe-7.5/atomic/examples/all-electron/h.in\nq-e-qe-7.5/atomic/examples/all-electron/h.oep.in\nq-e-qe-7.5/atomic/examples/all-electron/he.in\nq-e-qe-7.5/atomic/examples/all-electron/he.oep.in\nq-e-qe-7.5/atomic/examples/all-electron/mg.in\nq-e-qe-7.5/atomic/examples/all-electron/ne.kli.in\nq-e-qe-7.5/atomic/examples/all-electron/ne_oep.in\nq-e-qe-7.5/atomic/examples/all-electron/pt.in\nq-e-qe-7.5/atomic/examples/all-electron/reference/\nq-e-qe-7.5/atomic/examples/all-electron/reference/ar.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/c_oep.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/cu.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/cu1.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/f.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/fe.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/h.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/he.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/mg.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/ne_oep.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/pt.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/u.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/u1.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/w.out\nq-e-qe-7.5/atomic/examples/all-electron/test.job\nq-e-qe-7.5/atomic/examples/all-electron/u.in\nq-e-qe-7.5/atomic/examples/all-electron/u1.in\nq-e-qe-7.5/atomic/examples/all-electron/w.in\nq-e-qe-7.5/atomic/examples/make_clean\nq-e-qe-7.5/atomic/examples/paw_examples/\nq-e-qe-7.5/atomic/examples/paw_examples/README\nq-e-qe-7.5/atomic/examples/paw_examples/clean\nq-e-qe-7.5/atomic/examples/paw_examples/input/\nq-e-qe-7.5/atomic/examples/paw_examples/input/Be.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/C.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Cl.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Cu.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/F.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Fe.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Ge.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/H.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Li-1s.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Li.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/N.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Na-2s2p.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/O-lda.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/O.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/P.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Pd.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/S.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Si.in\nq-e-qe-7.5/atomic/examples/paw_examples/oxygen/\nq-e-qe-7.5/atomic/examples/paw_examples/oxygen/gen.in\nq-e-qe-7.5/atomic/examples/paw_examples/oxygen/spin.in\nq-e-qe-7.5/atomic/examples/paw_examples/oxygen/test.in\nq-e-qe-7.5/atomic/examples/paw_examples/plot_dlog\nq-e-qe-7.5/atomic/examples/paw_examples/reference/\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Be-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Be.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/C-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/C.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Cl-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Cl.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Cu-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Cu.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/F-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/F.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Fe-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Fe.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Ge-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Ge.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/H-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/H.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Li-1s-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Li-1s.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Li-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Li.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/N-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/N.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Na-2s2p-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Na-2s2p.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/O-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/O-lda-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/O-lda.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/O.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/P-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/P.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Pd-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Pd.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/S-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/S.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Si-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Si.out\nq-e-qe-7.5/atomic/examples/paw_examples/test\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/AAREADME\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/Si.pz-vbc.UPF\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/clean.sh\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/reference/\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/reference/Si.LDA.0.5.UPF\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/reference/si.lda.0.5.out\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/si.lda.0.5.in\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/test.job\nq-e-qe-7.5/atomic/examples/pseudo-gen/\nq-e-qe-7.5/atomic/examples/pseudo-gen/AAREADME\nq-e-qe-7.5/atomic/examples/pseudo-gen/al.in\nq-e-qe-7.5/atomic/examples/pseudo-gen/as.in\nq-e-qe-7.5/atomic/examples/pseudo-gen/clean.sh\nq-e-qe-7.5/atomic/examples/pseudo-gen/o.in\nq-e-qe-7.5/atomic/examples/pseudo-gen/pt.in\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/Al.rrkj3\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/Asrel.RRKJ3.UPF\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/OPBE.RRKJ3\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/Ptrel.RRKJ3.UPF\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/SiPBE_nc\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/al.out\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/as.out\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/o.out\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/pt.out\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/si_nc.out\nq-e-qe-7.5/atomic/examples/pseudo-gen/si_nc.in\nq-e-qe-7.5/atomic/examples/pseudo-gen/test.job\nq-e-qe-7.5/atomic/examples/pseudo-test/\nq-e-qe-7.5/atomic/examples/pseudo-test/AAREADME\nq-e-qe-7.5/atomic/examples/pseudo-test/Al.rrkj3\nq-e-qe-7.5/atomic/examples/pseudo-test/Asrel.RRKJ3.UPF\nq-e-qe-7.5/atomic/examples/pseudo-test/Garel.ld1\nq-e-qe-7.5/atomic/examples/pseudo-test/NiUSPBE.RRKJ3\nq-e-qe-7.5/atomic/examples/pseudo-test/OPBE.RRKJ3.UPF\nq-e-qe-7.5/atomic/examples/pseudo-test/RhUSPBEnlcc.RRKJ3.UPF\nq-e-qe-7.5/atomic/examples/pseudo-test/S.gon\nq-e-qe-7.5/atomic/examples/pseudo-test/al.in\nq-e-qe-7.5/atomic/examples/pseudo-test/as.in\nq-e-qe-7.5/atomic/examples/pseudo-test/clean.sh\nq-e-qe-7.5/atomic/examples/pseudo-test/ga.in\nq-e-qe-7.5/atomic/examples/pseudo-test/ni.in\nq-e-qe-7.5/atomic/examples/pseudo-test/o.in\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/al.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/as.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/ga.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/ni.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/o.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/rh.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/s.out\nq-e-qe-7.5/atomic/examples/pseudo-test/rh.in\nq-e-qe-7.5/atomic/examples/pseudo-test/s.in\nq-e-qe-7.5/atomic/examples/pseudo-test/test.job\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/AAREADME\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ar.sla-gl.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ar.sla-noc.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ar.sla-pz.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/clean.sh\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/kr.sla-gl.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/kr.sla-noc.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/kr.sla-pz.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ne.sla-gl.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ne.sla-noc.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ne.sla-pz.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-gl.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-gl.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-noc.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-noc.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-pz.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-pz.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/compare.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-gl.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-gl.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-noc.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-noc.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-pz.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-pz.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-gl.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-gl.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-noc.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-noc.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-pz.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-pz.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/test.job\nq-e-qe-7.5/atomic/pseudo_library/\nq-e-qe-7.5/atomic/pseudo_library/AAAREADME\nq-e-qe-7.5/atomic/pseudo_library/LDA/\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Ag.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Al.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/As.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Au.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/B.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Br.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/C.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Cd.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Cl.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/F.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/H.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Hg.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Ir.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/N.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/O.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/O.rel-pz-rrkjus_h.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Os.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/P.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Pb.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Pd.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Rh.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Ru.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/S.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Sb.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Se.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Si.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/clean\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/make_ps\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Ag.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Al.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/As.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Au.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Au.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/B.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Br.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/C.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Cd.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Cd.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Cl.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/F.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/H.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Hg.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Ir.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/N.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/O.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/O.pz-rrkjus_h.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Os.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/P.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Pb.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Pd.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Rh.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Ru.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/S.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Sb.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Se.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Si.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/clean\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/make_ps\nq-e-qe-7.5/atomic/pseudo_library/PBE/\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Ag.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Al.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/As.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Au.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/B.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Br.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/C.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Cd.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Cl.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/F.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/H.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Hg.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Ir.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/N.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/O.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/O.rel-pbe-rrkjus_h.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Os.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/P.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Pb.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Pd.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Rh.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Ru.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/S.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Sb.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Se.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Si.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/clean\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/make_ps\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Ag.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Al.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/As.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Au.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Au.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/B.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Br.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/C.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Cd.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Cd.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Cl.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/F.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/H.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Hg.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Ir.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Mg.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/N.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/O.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/O.pbe-rrkjus_h.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Os.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/P.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Pb.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Pd.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Rh.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Ru.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/S.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Sb.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Se.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Si.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Sn.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/clean\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/make_ps\nq-e-qe-7.5/atomic/pseudo_library/make_clean\nq-e-qe-7.5/atomic/pseudo_library/make_ps\nq-e-qe-7.5/atomic/src/\nq-e-qe-7.5/atomic/src/Makefile\nq-e-qe-7.5/atomic/src/add_exchange.f90\nq-e-qe-7.5/atomic/src/all_electron.f90\nq-e-qe-7.5/atomic/src/ascheq.f90\nq-e-qe-7.5/atomic/src/ascheqps.f90\nq-e-qe-7.5/atomic/src/ascheqps_drv.f90\nq-e-qe-7.5/atomic/src/atomic_paw.f90\nq-e-qe-7.5/atomic/src/c6_dft.f90\nq-e-qe-7.5/atomic/src/c6_tfvw.f90\nq-e-qe-7.5/atomic/src/calculate_gipaw_orbitals.f90\nq-e-qe-7.5/atomic/src/cfdsol.f90\nq-e-qe-7.5/atomic/src/chargeps.f90\nq-e-qe-7.5/atomic/src/compute_chi.f90\nq-e-qe-7.5/atomic/src/compute_chi_tm.f90\nq-e-qe-7.5/atomic/src/compute_phi.f90\nq-e-qe-7.5/atomic/src/compute_phi_tm.f90\nq-e-qe-7.5/atomic/src/compute_phius.f90\nq-e-qe-7.5/atomic/src/compute_potps.f90\nq-e-qe-7.5/atomic/src/compute_potps_new.f90\nq-e-qe-7.5/atomic/src/compute_q_3bess.f90\nq-e-qe-7.5/atomic/src/compute_relpert.f90\nq-e-qe-7.5/atomic/src/compute_solution.f90\nq-e-qe-7.5/atomic/src/default_conf.f90\nq-e-qe-7.5/atomic/src/descreening.f90\nq-e-qe-7.5/atomic/src/dfx_new.f90\nq-e-qe-7.5/atomic/src/dir_outward.f90\nq-e-qe-7.5/atomic/src/dirsol.f90\nq-e-qe-7.5/atomic/src/dmixp.f90\nq-e-qe-7.5/atomic/src/drho0ofvx.f90\nq-e-qe-7.5/atomic/src/drhoofv.f90\nq-e-qe-7.5/atomic/src/dvex.f90\nq-e-qe-7.5/atomic/src/el_config.f90\nq-e-qe-7.5/atomic/src/elsd.f90\nq-e-qe-7.5/atomic/src/elsd_highv.f90\nq-e-qe-7.5/atomic/src/elsdps.f90\nq-e-qe-7.5/atomic/src/elsdps_paw.f90\nq-e-qe-7.5/atomic/src/esic.f90\nq-e-qe-7.5/atomic/src/export_upf.f90\nq-e-qe-7.5/atomic/src/find_qi.f90\nq-e-qe-7.5/atomic/src/gener_pseudo.f90\nq-e-qe-7.5/atomic/src/grad_log.f90\nq-e-qe-7.5/atomic/src/green.f90\nq-e-qe-7.5/atomic/src/import_upf.f90\nq-e-qe-7.5/atomic/src/int_0_inf_dr.f90\nq-e-qe-7.5/atomic/src/integrate_inward.f90\nq-e-qe-7.5/atomic/src/integrate_outward.f90\nq-e-qe-7.5/atomic/src/intref.f90\nq-e-qe-7.5/atomic/src/inward.f90\nq-e-qe-7.5/atomic/src/kin_e_density.f90\nq-e-qe-7.5/atomic/src/kli.f90\nq-e-qe-7.5/atomic/src/ld1.f90\nq-e-qe-7.5/atomic/src/ld1_readin.f90\nq-e-qe-7.5/atomic/src/ld1_setup.f90\nq-e-qe-7.5/atomic/src/ld1_writeout.f90\nq-e-qe-7.5/atomic/src/ld1inc.f90\nq-e-qe-7.5/atomic/src/lderiv.f90\nq-e-qe-7.5/atomic/src/lderivps.f90\nq-e-qe-7.5/atomic/src/lschps.f90\nq-e-qe-7.5/atomic/src/new_potential.f90\nq-e-qe-7.5/atomic/src/newd_at.f90\nq-e-qe-7.5/atomic/src/nodenum.f90\nq-e-qe-7.5/atomic/src/normalize.f90\nq-e-qe-7.5/atomic/src/occ_spin.f90\nq-e-qe-7.5/atomic/src/outward.f90\nq-e-qe-7.5/atomic/src/parameters.f90\nq-e-qe-7.5/atomic/src/partial_wave_expansion.f90\nq-e-qe-7.5/atomic/src/paw_type.f90\nq-e-qe-7.5/atomic/src/pseudo_q.f90\nq-e-qe-7.5/atomic/src/pseudovloc.f90\nq-e-qe-7.5/atomic/src/read_pseudo_ncpp.f90\nq-e-qe-7.5/atomic/src/read_pseudo_rrkj3.f90\nq-e-qe-7.5/atomic/src/run_lda_half.f90\nq-e-qe-7.5/atomic/src/run_pseudo.f90\nq-e-qe-7.5/atomic/src/run_test.f90\nq-e-qe-7.5/atomic/src/scf.f90\nq-e-qe-7.5/atomic/src/seriebes.f90\nq-e-qe-7.5/atomic/src/set_psi_in.f90\nq-e-qe-7.5/atomic/src/set_rc_rv.f90\nq-e-qe-7.5/atomic/src/set_rho_core.f90\nq-e-qe-7.5/atomic/src/set_sl3.f90\nq-e-qe-7.5/atomic/src/sic_correction.f90\nq-e-qe-7.5/atomic/src/start_potps.f90\nq-e-qe-7.5/atomic/src/start_scheq.f90\nq-e-qe-7.5/atomic/src/starting_potential.f90\nq-e-qe-7.5/atomic/src/test_bessel.f90\nq-e-qe-7.5/atomic/src/trou.f90\nq-e-qe-7.5/atomic/src/utils.f90\nq-e-qe-7.5/atomic/src/v_of_rho_at.f90\nq-e-qe-7.5/atomic/src/vdpack.f90\nq-e-qe-7.5/atomic/src/vext.f90\nq-e-qe-7.5/atomic/src/vpack.f90\nq-e-qe-7.5/atomic/src/vxcgc.f90\nq-e-qe-7.5/atomic/src/write_ae_pseudo.f90\nq-e-qe-7.5/atomic/src/write_cpmd.f90\nq-e-qe-7.5/atomic/src/write_files.f90\nq-e-qe-7.5/atomic/src/write_paw_recon.f90\nq-e-qe-7.5/atomic/src/write_pseudo.f90\nq-e-qe-7.5/atomic/src/write_results.f90\nq-e-qe-7.5/atomic/src/write_resultsps.f90\nq-e-qe-7.5/cmake/\nq-e-qe-7.5/cmake/CMakeGraphVizOptions.cmake\nq-e-qe-7.5/cmake/CrayFortranCompiler.cmake\nq-e-qe-7.5/cmake/FindDeviceXlib.cmake\nq-e-qe-7.5/cmake/FindELPA.cmake\nq-e-qe-7.5/cmake/FindEnviron.cmake\nq-e-qe-7.5/cmake/FindFFTW3.cmake\nq-e-qe-7.5/cmake/FindFoX.cmake\nq-e-qe-7.5/cmake/FindLibxc.cmake\nq-e-qe-7.5/cmake/FindMBD.cmake\nq-e-qe-7.5/cmake/FindSCALAPACK.cmake\nq-e-qe-7.5/cmake/FindVendorFFTW.cmake\nq-e-qe-7.5/cmake/FindWannier90.cmake\nq-e-qe-7.5/cmake/GNUFortranCompiler.cmake\nq-e-qe-7.5/cmake/GitInfo.cmake\nq-e-qe-7.5/cmake/IBMFortranCompiler.cmake\nq-e-qe-7.5/cmake/IntelFortranCompiler.cmake\nq-e-qe-7.5/cmake/NVFortranCompiler.cmake\nq-e-qe-7.5/cmake/UseLATEX.cmake\nq-e-qe-7.5/cmake/flags/\nq-e-qe-7.5/cmake/flags/debug.cmake\nq-e-qe-7.5/cmake/flags/native.cmake\nq-e-qe-7.5/cmake/flags/native.pgi.cmake\nq-e-qe-7.5/cmake/qeConfig.cmake.in\nq-e-qe-7.5/cmake/qeHelpers.cmake\nq-e-qe-7.5/cmake/quantum_espresso.pc.in\nq-e-qe-7.5/cmake/unit_test.cmake\nq-e-qe-7.5/configure\nq-e-qe-7.5/dev-tools/\nq-e-qe-7.5/dev-tools/Makefile\nq-e-qe-7.5/dev-tools/README.helpdoc\nq-e-qe-7.5/dev-tools/README.md\nq-e-qe-7.5/dev-tools/callhtml.pl\nq-e-qe-7.5/dev-tools/calltree.pl\nq-e-qe-7.5/dev-tools/check_gui\nq-e-qe-7.5/dev-tools/device_props.c\nq-e-qe-7.5/dev-tools/diff_gui_help\nq-e-qe-7.5/dev-tools/exported-cmds.pwtk\nq-e-qe-7.5/dev-tools/gen-emacs-mode\nq-e-qe-7.5/dev-tools/gen-emacs-mode.tcl\nq-e-qe-7.5/dev-tools/get_device_props.py\nq-e-qe-7.5/dev-tools/guihelp.xsl\nq-e-qe-7.5/dev-tools/helpdoc\nq-e-qe-7.5/dev-tools/helpdoc.d/\nq-e-qe-7.5/dev-tools/helpdoc.d/auxil.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/gui.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/guihelp.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/helpdoc.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/modules.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/parseTags.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/readSchema.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/robodoc.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/syntax_txt.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/tclIndex\nq-e-qe-7.5/dev-tools/helpdoc.d/tree.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/txt.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/txt_enter.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/txt_leave.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/xml.tcl\nq-e-qe-7.5/dev-tools/helpdoc.schema\nq-e-qe-7.5/dev-tools/input_xx.xsl\nq-e-qe-7.5/dev-tools/mem_analyse.py\nq-e-qe-7.5/dev-tools/mem_counter\nq-e-qe-7.5/dev-tools/mem_counter.py\nq-e-qe-7.5/dev-tools/porting/\nq-e-qe-7.5/dev-tools/porting/becmod.json\nq-e-qe-7.5/dev-tools/porting/derived_type_duplicated_module.jf90\nq-e-qe-7.5/dev-tools/porting/duplicated_module.jf90\nq-e-qe-7.5/dev-tools/porting/gen_derived.py\nq-e-qe-7.5/dev-tools/porting/gen_intrinsic.py\nq-e-qe-7.5/dev-tools/porting/regenerate_duplicated_variables.sh\nq-e-qe-7.5/dev-tools/release-checklist.md\nq-e-qe-7.5/dev-tools/src-normal\nq-e-qe-7.5/dev-tools/src-normal.py\nq-e-qe-7.5/dev-tools/update_gui_help\nq-e-qe-7.5/dft-d3/\nq-e-qe-7.5/dft-d3/CMakeLists.txt\nq-e-qe-7.5/dft-d3/Makefile\nq-e-qe-7.5/dft-d3/README\nq-e-qe-7.5/dft-d3/api.f90\nq-e-qe-7.5/dft-d3/common.f90\nq-e-qe-7.5/dft-d3/core.f90\nq-e-qe-7.5/dft-d3/dftd3_qe.f90\nq-e-qe-7.5/dft-d3/pars.f90\nq-e-qe-7.5/dft-d3/sizes.f90\nq-e-qe-7.5/dft-d3/test_code.f90\nq-e-qe-7.5/environment_variables\nq-e-qe-7.5/external/\nq-e-qe-7.5/external/.gitignore\nq-e-qe-7.5/external/CMakeLists.txt\nq-e-qe-7.5/external/d3q/\nq-e-qe-7.5/external/devxlib/\nq-e-qe-7.5/external/devxlib.cmake\nq-e-qe-7.5/external/environ.cmake\nq-e-qe-7.5/external/fox/\nq-e-qe-7.5/external/fox.cmake\nq-e-qe-7.5/external/initialize_external_repos.sh\nq-e-qe-7.5/external/lapack/\nq-e-qe-7.5/external/mbd/\nq-e-qe-7.5/external/mbd.cmake\nq-e-qe-7.5/external/mbd.make\nq-e-qe-7.5/external/pw2qmcpack/\nq-e-qe-7.5/external/qe-gipaw/\nq-e-qe-7.5/external/submodule_commit_hash_records\nq-e-qe-7.5/external/update_commit_has_records.sh\nq-e-qe-7.5/external/wannier90/\nq-e-qe-7.5/external/wannier90.cmake\nq-e-qe-7.5/include/\nq-e-qe-7.5/include/configure.h.in\nq-e-qe-7.5/include/cpv_device_macros.h\nq-e-qe-7.5/include/defs.h.README\nq-e-qe-7.5/include/qe_version.h\nq-e-qe-7.5/install/\nq-e-qe-7.5/install/README.FX10\nq-e-qe-7.5/install/aclocal.m4\nq-e-qe-7.5/install/addsonpatch.sh\nq-e-qe-7.5/install/addsontool.sh\nq-e-qe-7.5/install/build_fox_with_pgi.sh\nq-e-qe-7.5/install/config.guess\nq-e-qe-7.5/install/config.sub\nq-e-qe-7.5/install/configure\nq-e-qe-7.5/install/configure.ac\nq-e-qe-7.5/install/configure.msg.in\nq-e-qe-7.5/install/extlibs_makefile\nq-e-qe-7.5/install/includedep.sh\nq-e-qe-7.5/install/install-sh\nq-e-qe-7.5/install/install_utils\nq-e-qe-7.5/install/m4/\nq-e-qe-7.5/install/m4/README\nq-e-qe-7.5/install/m4/ax_check_compile_flag.m4\nq-e-qe-7.5/install/m4/x_ac_qe_aix_dflags.m4\nq-e-qe-7.5/install/m4/x_ac_qe_ar.m4\nq-e-qe-7.5/install/m4/x_ac_qe_arch.m4\nq-e-qe-7.5/install/m4/x_ac_qe_blas.m4\nq-e-qe-7.5/install/m4/x_ac_qe_cc.m4\nq-e-qe-7.5/install/m4/x_ac_qe_cpp.m4\nq-e-qe-7.5/install/m4/x_ac_qe_cuda.m4\nq-e-qe-7.5/install/m4/x_ac_qe_default_env.m4\nq-e-qe-7.5/install/m4/x_ac_qe_elpa.m4\nq-e-qe-7.5/install/m4/x_ac_qe_environ.m4\nq-e-qe-7.5/install/m4/x_ac_qe_f90.m4\nq-e-qe-7.5/install/m4/x_ac_qe_f90rule.m4\nq-e-qe-7.5/install/m4/x_ac_qe_fft.m4\nq-e-qe-7.5/install/m4/x_ac_qe_fox.m4\nq-e-qe-7.5/install/m4/x_ac_qe_git.m4\nq-e-qe-7.5/install/m4/x_ac_qe_hdf5.m4\nq-e-qe-7.5/install/m4/x_ac_qe_lapack.m4\nq-e-qe-7.5/install/m4/x_ac_qe_ld.m4\nq-e-qe-7.5/install/m4/x_ac_qe_libxc.m4\nq-e-qe-7.5/install/m4/x_ac_qe_mass.m4\nq-e-qe-7.5/install/m4/x_ac_qe_mpi.m4\nq-e-qe-7.5/install/m4/x_ac_qe_mpif90.m4\nq-e-qe-7.5/install/m4/x_ac_qe_openmp.m4\nq-e-qe-7.5/install/m4/x_ac_qe_plugins.m4\nq-e-qe-7.5/install/m4/x_ac_qe_ranlib.m4\nq-e-qe-7.5/install/m4/x_ac_qe_scalapack.m4\nq-e-qe-7.5/install/m4/x_ac_qe_signal.m4\nq-e-qe-7.5/install/m4/x_ac_qe_wget.m4\nq-e-qe-7.5/install/make.inc.in\nq-e-qe-7.5/install/make_lapack.inc.in\nq-e-qe-7.5/install/make_wannier90.inc.in\nq-e-qe-7.5/install/makedeps.sh\nq-e-qe-7.5/install/moduledep.sh\nq-e-qe-7.5/install/namedep.sh\nq-e-qe-7.5/install/plugins_list\nq-e-qe-7.5/install/plugins_makefile\nq-e-qe-7.5/install/refresh-configure.sh\nq-e-qe-7.5/logo.jpg\nq-e-qe-7.5/pseudo/\nq-e-qe-7.5/pseudo/Au.pz-rrkjus_aewfc.UPF\nq-e-qe-7.5/pseudo/Au_ONCV_PBE_FR_.upf\nq-e-qe-7.5/pseudo/B-PBE.upf\nq-e-qe-7.5/pseudo/C-q4.gth\nq-e-qe-7.5/pseudo/C.UPF\nq-e-qe-7.5/pseudo/C_3.98148.UPF\nq-e-qe-7.5/pseudo/Fe.pz-n-nc.UPF\nq-e-qe-7.5/pseudo/H-q1.gth\nq-e-qe-7.5/pseudo/HUSPBE.RRKJ3\nq-e-qe-7.5/pseudo/H_US.van\nq-e-qe-7.5/pseudo/Mo-PBE.upf\nq-e-qe-7.5/pseudo/N-PBE.upf\nq-e-qe-7.5/pseudo/O-q6.gth\nq-e-qe-7.5/pseudo/O_US.van\nq-e-qe-7.5/pseudo/Rh.pbe-rrkjus_lb.UPF\nq-e-qe-7.5/pseudo/Rhs.pbe-rrkjus_lb.UPF\nq-e-qe-7.5/pseudo/S-PBE.upf\nq-e-qe-7.5/pseudo/Si.bhs\nq-e-qe-7.5/pseudo/Si_r.upf\nq-e-qe-7.5/pseudo/clean_ps\nq-e-qe-7.5/pseudo/pb_s.UPF\nq-e-qe-7.5/test-suite/\nq-e-qe-7.5/test-suite/.gitignore\nq-e-qe-7.5/test-suite/CMakeLists.txt\nq-e-qe-7.5/test-suite/ENVIRONMENT\nq-e-qe-7.5/test-suite/Makefile\nq-e-qe-7.5/test-suite/QEHeat_h2o/\nq-e-qe-7.5/test-suite/QEHeat_h2o/all_currents.in\nq-e-qe-7.5/test-suite/QEHeat_h2o/all_currents_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_h2o/benchmark.out.git.inp=all_currents.in\nq-e-qe-7.5/test-suite/QEHeat_h2o/benchmark.out.git.inp=all_currents_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_h2o/traj/\nq-e-qe-7.5/test-suite/QEHeat_h2o/traj/cp.pos\nq-e-qe-7.5/test-suite/QEHeat_h2o/traj/cp.vel\nq-e-qe-7.5/test-suite/QEHeat_rotation/\nq-e-qe-7.5/test-suite/QEHeat_rotation/all_currents.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/all_currents_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/all_currents_not_rotated.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/all_currents_not_rotated_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_not_rotated.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_not_rotated_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/generate_all_currents.in.sh\nq-e-qe-7.5/test-suite/QEHeat_rotation/inpos\nq-e-qe-7.5/test-suite/QEHeat_rotation/invel\nq-e-qe-7.5/test-suite/QEHeat_rotation/rotate.py\nq-e-qe-7.5/test-suite/QEHeat_rotation/rotate_run.sh\nq-e-qe-7.5/test-suite/QEHeat_rotation/types\nq-e-qe-7.5/test-suite/QEHeat_translation/\nq-e-qe-7.5/test-suite/QEHeat_translation/README\nq-e-qe-7.5/test-suite/QEHeat_translation/benchmark.out.git.inp=input.in\nq-e-qe-7.5/test-suite/QEHeat_translation/benchmark.out.git.inp=input_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_translation/benchmark.out.git.inp=input_ar.in\nq-e-qe-7.5/test-suite/QEHeat_translation/benchmark.out.git.inp=input_ar_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_translation/input.in\nq-e-qe-7.5/test-suite/QEHeat_translation/input_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_translation/input_ar.in\nq-e-qe-7.5/test-suite/QEHeat_translation/input_ar_2pt.in\nq-e-qe-7.5/test-suite/README\nq-e-qe-7.5/test-suite/README_CMake\nq-e-qe-7.5/test-suite/benchmarks/\nq-e-qe-7.5/test-suite/benchmarks/CMakeLists.txt\nq-e-qe-7.5/test-suite/benchmarks/pw/\nq-e-qe-7.5/test-suite/benchmarks/pw/ausurf.in\nq-e-qe-7.5/test-suite/benchmarks/pw/psiwat.in\nq-e-qe-7.5/test-suite/buildbot/\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/buildbot-slave.tac\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/buildbot.tac\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/check_smtp.py\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/environement.txt\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_gcc640_para.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_gcc640_serial.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_gcc730_openmpi1107.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel12_openmpi.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel17_impi.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel17_impi_serial.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel17_mvapich23.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel17_openmpi313.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel18_mvapich23.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel18_openmpi313.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel18_openmpi313_openmp.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_pgi17_mvapich23b.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_pgi18_mvapich23b.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/gcc640_para.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/gcc640_serial.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/intel17_impi.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/master.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/slave.py\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/README.txt\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/README.txt.libxc\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_hdf5.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_libxc.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_openmp.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc102_serial.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc750_openmpi211.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc750_openmpi316-dbg.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_intel19_mvapich23.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_intel20_impi.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_pgi1910_GPU.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_pgi1910_openmpi313.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_pgi2011_GPU.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_pgi2011_openmpi313.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_pgi2107_GPU.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/master.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/worker.py\nq-e-qe-7.5/test-suite/check_pseudo.sh\nq-e-qe-7.5/test-suite/cp_al_edft/\nq-e-qe-7.5/test-suite/cp_al_edft/Al.in\nq-e-qe-7.5/test-suite/cp_al_edft/Al.uspp.in\nq-e-qe-7.5/test-suite/cp_al_edft/benchmark.out.git.inp=Al.in\nq-e-qe-7.5/test-suite/cp_al_edft/benchmark.out.git.inp=Al.uspp.in\nq-e-qe-7.5/test-suite/cp_cluster/\nq-e-qe-7.5/test-suite/cp_cluster/benchmark.out.git.inp=cluster4.in\nq-e-qe-7.5/test-suite/cp_cluster/benchmark.out.git.inp=cluster6.in\nq-e-qe-7.5/test-suite/cp_cluster/cluster4.in\nq-e-qe-7.5/test-suite/cp_cluster/cluster6.in\nq-e-qe-7.5/test-suite/cp_h2o/\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-1.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-2.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-3.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-4.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-5.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-6.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-7.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-cg.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-1.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-2.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-3.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-4.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-5.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-6.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-7.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-cg.in\nq-e-qe-7.5/test-suite/cp_h2o_exx/\nq-e-qe-7.5/test-suite/cp_h2o_exx/benchmark.out.git.inp=h2o-mt-b3lyp-1.in\nq-e-qe-7.5/test-suite/cp_h2o_exx/benchmark.out.git.inp=h2o-mt-exx_fraction.in\nq-e-qe-7.5/test-suite/cp_h2o_exx/h2o-mt-b3lyp-1.in\nq-e-qe-7.5/test-suite/cp_h2o_exx/h2o-mt-exx_fraction.in\nq-e-qe-7.5/test-suite/cp_h2o_scan_libxc/\nq-e-qe-7.5/test-suite/cp_h2o_scan_libxc/benchmark.out.git.inp=nspin1.in\nq-e-qe-7.5/test-suite/cp_h2o_scan_libxc/benchmark.out.git.inp=nspin2.in\nq-e-qe-7.5/test-suite/cp_h2o_scan_libxc/nspin1.in\nq-e-qe-7.5/test-suite/cp_h2o_scan_libxc/nspin2.in\nq-e-qe-7.5/test-suite/cp_h2o_wf/\nq-e-qe-7.5/test-suite/cp_h2o_wf/README\nq-e-qe-7.5/test-suite/cp_h2o_wf/benchmark.out.git.inp=h2o-nspin1.in\nq-e-qe-7.5/test-suite/cp_h2o_wf/benchmark.out.git.inp=h2o-nspin2.in\nq-e-qe-7.5/test-suite/cp_h2o_wf/h2o-nspin1.in\nq-e-qe-7.5/test-suite/cp_h2o_wf/h2o-nspin2.in\nq-e-qe-7.5/test-suite/cp_o2/\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-1.in\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-2.in\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-3.in\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-4.in\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-5.in\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-6.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-1.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-2.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-3.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-4.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-5.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-6.in\nq-e-qe-7.5/test-suite/cp_si/\nq-e-qe-7.5/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-1.in\nq-e-qe-7.5/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-2.in\nq-e-qe-7.5/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-3.in\nq-e-qe-7.5/test-suite/cp_si/si-vbc-lda-1.in\nq-e-qe-7.5/test-suite/cp_si/si-vbc-lda-2.in\nq-e-qe-7.5/test-suite/cp_si/si-vbc-lda-3.in\nq-e-qe-7.5/test-suite/cp_sio2/\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-1.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-2.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-3.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-4.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-cg.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-1.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-2.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-cg.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-lda-1.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-lda-2.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-lda-3.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-lda-4.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-lda-cg.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-pbe-1.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-pbe-2.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-pbe-cg.in\nq-e-qe-7.5/test-suite/ctest_runner.sh\nq-e-qe-7.5/test-suite/epw_2D/\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw3.in.args=10\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw5.in.args=5\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw6.in.args=5\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw8.in.args=5\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=scf.in.args=0\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=scf_epw.in.args=0\nq-e-qe-7.5/test-suite/epw_2D/epw1.in\nq-e-qe-7.5/test-suite/epw_2D/epw2.in\nq-e-qe-7.5/test-suite/epw_2D/epw3.in\nq-e-qe-7.5/test-suite/epw_2D/epw4.in\nq-e-qe-7.5/test-suite/epw_2D/epw5.in\nq-e-qe-7.5/test-suite/epw_2D/epw6.in\nq-e-qe-7.5/test-suite/epw_2D/epw7.in\nq-e-qe-7.5/test-suite/epw_2D/epw8.in\nq-e-qe-7.5/test-suite/epw_2D/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_2D/ph.in\nq-e-qe-7.5/test-suite/epw_2D/pp.in\nq-e-qe-7.5/test-suite/epw_2D/quadrupole.fmt\nq-e-qe-7.5/test-suite/epw_2D/scf.in\nq-e-qe-7.5/test-suite/epw_2D/scf_epw.in\nq-e-qe-7.5/test-suite/epw_base/\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw10.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw11.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw12.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw13.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw9.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_base/epw.in\nq-e-qe-7.5/test-suite/epw_base/epw1.in\nq-e-qe-7.5/test-suite/epw_base/epw10.in\nq-e-qe-7.5/test-suite/epw_base/epw11.in\nq-e-qe-7.5/test-suite/epw_base/epw12.in\nq-e-qe-7.5/test-suite/epw_base/epw13.in\nq-e-qe-7.5/test-suite/epw_base/epw2.in\nq-e-qe-7.5/test-suite/epw_base/epw3.in\nq-e-qe-7.5/test-suite/epw_base/epw4.in\nq-e-qe-7.5/test-suite/epw_base/epw5.in\nq-e-qe-7.5/test-suite/epw_base/epw6.in\nq-e-qe-7.5/test-suite/epw_base/epw9.in\nq-e-qe-7.5/test-suite/epw_base/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_base/path.dat\nq-e-qe-7.5/test-suite/epw_base/ph.in\nq-e-qe-7.5/test-suite/epw_base/pp.in\nq-e-qe-7.5/test-suite/epw_base/scf.in\nq-e-qe-7.5/test-suite/epw_base/scf_epw.in\nq-e-qe-7.5/test-suite/epw_hall/\nq-e-qe-7.5/test-suite/epw_hall/LGXKG4.txt\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=epw5.in.args=5\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=scf.in.args=0\nq-e-qe-7.5/test-suite/epw_hall/epw1.in\nq-e-qe-7.5/test-suite/epw_hall/epw2.in\nq-e-qe-7.5/test-suite/epw_hall/epw3.in\nq-e-qe-7.5/test-suite/epw_hall/epw4.in\nq-e-qe-7.5/test-suite/epw_hall/epw5.in\nq-e-qe-7.5/test-suite/epw_hall/nscf.in\nq-e-qe-7.5/test-suite/epw_hall/ph.in\nq-e-qe-7.5/test-suite/epw_hall/pp.in\nq-e-qe-7.5/test-suite/epw_hall/quadrupole.fmt\nq-e-qe-7.5/test-suite/epw_hall/scf.in\nq-e-qe-7.5/test-suite/epw_metal/\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw5.in.args=10\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw6.in.args=11\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_metal/epw1.in\nq-e-qe-7.5/test-suite/epw_metal/epw2.in\nq-e-qe-7.5/test-suite/epw_metal/epw3.in\nq-e-qe-7.5/test-suite/epw_metal/epw4.in\nq-e-qe-7.5/test-suite/epw_metal/epw5.in\nq-e-qe-7.5/test-suite/epw_metal/epw6.in\nq-e-qe-7.5/test-suite/epw_metal/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_metal/ph.in\nq-e-qe-7.5/test-suite/epw_metal/pp.in\nq-e-qe-7.5/test-suite/epw_metal/save/\nq-e-qe-7.5/test-suite/epw_metal/save/ifc.q2r\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dvscf_q1\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dvscf_q2\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dvscf_q3\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dvscf_q4\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dyn_q1\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dyn_q2\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dyn_q3\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dyn_q4\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/control_ph.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/patterns.1.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/patterns.2.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/patterns.3.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/patterns.4.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/status_run.xml\nq-e-qe-7.5/test-suite/epw_metal/scf.in\nq-e-qe-7.5/test-suite/epw_metal/scf_epw.in\nq-e-qe-7.5/test-suite/epw_mob/\nq-e-qe-7.5/test-suite/epw_mob/LGX.txt\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob/epw1.in\nq-e-qe-7.5/test-suite/epw_mob/epw2.in\nq-e-qe-7.5/test-suite/epw_mob/epw3.in\nq-e-qe-7.5/test-suite/epw_mob/epw4.in\nq-e-qe-7.5/test-suite/epw_mob/epw5.in\nq-e-qe-7.5/test-suite/epw_mob/epw6.in\nq-e-qe-7.5/test-suite/epw_mob/kpt.txt\nq-e-qe-7.5/test-suite/epw_mob/nscf.in\nq-e-qe-7.5/test-suite/epw_mob/ph.in\nq-e-qe-7.5/test-suite/epw_mob/pp.in\nq-e-qe-7.5/test-suite/epw_mob/pp.py\nq-e-qe-7.5/test-suite/epw_mob/q2r.in\nq-e-qe-7.5/test-suite/epw_mob/scf.in\nq-e-qe-7.5/test-suite/epw_mob/si.eig\nq-e-qe-7.5/test-suite/epw_mob_ibte/\nq-e-qe-7.5/test-suite/epw_mob_ibte/LGX.txt\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_ibte/epw1.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/epw2.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/epw3.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/nscf.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/ph.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/pp.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/q2r.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/scf.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/LGX.txt\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw6.in.args=5\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw8.in.args=5\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw9.in.args=5\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw1.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw2.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw3.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw4.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw5.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw6.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw7.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw8.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw9.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/nscf.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/ph.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/pp.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/q2r.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/scf.in\nq-e-qe-7.5/test-suite/epw_mob_polar/\nq-e-qe-7.5/test-suite/epw_mob_polar/Ga-LDA.upf\nq-e-qe-7.5/test-suite/epw_mob_polar/MGA.txt\nq-e-qe-7.5/test-suite/epw_mob_polar/N-LDA.upf\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_polar/epw1.in\nq-e-qe-7.5/test-suite/epw_mob_polar/epw2.in\nq-e-qe-7.5/test-suite/epw_mob_polar/epw3.in\nq-e-qe-7.5/test-suite/epw_mob_polar/nscf.in\nq-e-qe-7.5/test-suite/epw_mob_polar/ph.in\nq-e-qe-7.5/test-suite/epw_mob_polar/pp.in\nq-e-qe-7.5/test-suite/epw_mob_polar/scf.in\nq-e-qe-7.5/test-suite/epw_pl/\nq-e-qe-7.5/test-suite/epw_pl/LGX.txt\nq-e-qe-7.5/test-suite/epw_pl/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_pl/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_pl/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_pl/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_pl/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_pl/epw1.in\nq-e-qe-7.5/test-suite/epw_pl/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_pl/ph.in\nq-e-qe-7.5/test-suite/epw_pl/pp.in\nq-e-qe-7.5/test-suite/epw_pl/qgrid.txt\nq-e-qe-7.5/test-suite/epw_pl/scf.in\nq-e-qe-7.5/test-suite/epw_pl/scf_epw.in\nq-e-qe-7.5/test-suite/epw_plrn/\nq-e-qe-7.5/test-suite/epw_plrn/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_plrn/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_plrn/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_plrn/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_plrn/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_plrn/epw1.in\nq-e-qe-7.5/test-suite/epw_plrn/epw2.in\nq-e-qe-7.5/test-suite/epw_plrn/nscf.in\nq-e-qe-7.5/test-suite/epw_plrn/ph.in\nq-e-qe-7.5/test-suite/epw_plrn/pp.in\nq-e-qe-7.5/test-suite/epw_plrn/scf.in\nq-e-qe-7.5/test-suite/epw_polar/\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_polar/epw1.in\nq-e-qe-7.5/test-suite/epw_polar/epw3.in\nq-e-qe-7.5/test-suite/epw_polar/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_polar/ph.in\nq-e-qe-7.5/test-suite/epw_polar/pp.in\nq-e-qe-7.5/test-suite/epw_polar/scf.in\nq-e-qe-7.5/test-suite/epw_polar/scf_epw.in\nq-e-qe-7.5/test-suite/epw_qdpt/\nq-e-qe-7.5/test-suite/epw_qdpt/LGX.txt\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_qdpt/epw1.in\nq-e-qe-7.5/test-suite/epw_qdpt/epw2.in\nq-e-qe-7.5/test-suite/epw_qdpt/epw2_no_elpa.in\nq-e-qe-7.5/test-suite/epw_qdpt/nscf.in\nq-e-qe-7.5/test-suite/epw_qdpt/ph.in\nq-e-qe-7.5/test-suite/epw_qdpt/pp.in\nq-e-qe-7.5/test-suite/epw_qdpt/pp.py\nq-e-qe-7.5/test-suite/epw_qdpt/q2r.in\nq-e-qe-7.5/test-suite/epw_qdpt/scf.in\nq-e-qe-7.5/test-suite/epw_soc/\nq-e-qe-7.5/test-suite/epw_soc/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_soc/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_soc/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_soc/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_soc/epw1.in\nq-e-qe-7.5/test-suite/epw_soc/epw2.in\nq-e-qe-7.5/test-suite/epw_soc/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_soc/ph.in\nq-e-qe-7.5/test-suite/epw_soc/pp.in\nq-e-qe-7.5/test-suite/epw_soc/save/\nq-e-qe-7.5/test-suite/epw_soc/save/ifc.q2r.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dvscf_q1\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dvscf_q2\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dvscf_q3\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dvscf_q4\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dyn_q1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dyn_q2.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dyn_q3.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dyn_q4.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/control_ph.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/patterns.1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/patterns.2.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/patterns.3.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/patterns.4.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/status_run.xml\nq-e-qe-7.5/test-suite/epw_soc/scf.in\nq-e-qe-7.5/test-suite/epw_soc/scf_epw.in\nq-e-qe-7.5/test-suite/epw_super/\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw8.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=nscf2supercond.in.args=9\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=nscf_outerbands.in.args=1\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_super/epw1.in\nq-e-qe-7.5/test-suite/epw_super/epw2.in\nq-e-qe-7.5/test-suite/epw_super/epw3.in\nq-e-qe-7.5/test-suite/epw_super/epw4.in\nq-e-qe-7.5/test-suite/epw_super/epw5.in\nq-e-qe-7.5/test-suite/epw_super/epw6.in\nq-e-qe-7.5/test-suite/epw_super/epw7.in\nq-e-qe-7.5/test-suite/epw_super/epw8.in\nq-e-qe-7.5/test-suite/epw_super/nscf2supercond.in\nq-e-qe-7.5/test-suite/epw_super/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_super/nscf_outerbands.in\nq-e-qe-7.5/test-suite/epw_super/ph.in\nq-e-qe-7.5/test-suite/epw_super/pp.in\nq-e-qe-7.5/test-suite/epw_super/scf.in\nq-e-qe-7.5/test-suite/epw_super/scf_epw.in\nq-e-qe-7.5/test-suite/epw_tdbe/\nq-e-qe-7.5/test-suite/epw_tdbe/LGX.txt\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_tdbe/epw1.in\nq-e-qe-7.5/test-suite/epw_tdbe/epw2.in\nq-e-qe-7.5/test-suite/epw_tdbe/epw3.in\nq-e-qe-7.5/test-suite/epw_tdbe/nscf.in\nq-e-qe-7.5/test-suite/epw_tdbe/ph.in\nq-e-qe-7.5/test-suite/epw_tdbe/pp.in\nq-e-qe-7.5/test-suite/epw_tdbe/scf.in\nq-e-qe-7.5/test-suite/epw_trev/\nq-e-qe-7.5/test-suite/epw_trev/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_trev/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_trev/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_trev/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_trev/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_trev/epw1.in\nq-e-qe-7.5/test-suite/epw_trev/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_trev/ph.in\nq-e-qe-7.5/test-suite/epw_trev/pp.in\nq-e-qe-7.5/test-suite/epw_trev/scf.in\nq-e-qe-7.5/test-suite/epw_trev/scf_epw.in\nq-e-qe-7.5/test-suite/epw_trev_paw/\nq-e-qe-7.5/test-suite/epw_trev_paw/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_trev_paw/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_trev_paw/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_trev_paw/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_trev_paw/epw1.in\nq-e-qe-7.5/test-suite/epw_trev_paw/nscf.in\nq-e-qe-7.5/test-suite/epw_trev_paw/path.dat\nq-e-qe-7.5/test-suite/epw_trev_paw/pathq.dat\nq-e-qe-7.5/test-suite/epw_trev_paw/ph.in\nq-e-qe-7.5/test-suite/epw_trev_paw/pp.in\nq-e-qe-7.5/test-suite/epw_trev_paw/scf.in\nq-e-qe-7.5/test-suite/epw_trev_uspp/\nq-e-qe-7.5/test-suite/epw_trev_uspp/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_trev_uspp/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_trev_uspp/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_trev_uspp/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_trev_uspp/epw1.in\nq-e-qe-7.5/test-suite/epw_trev_uspp/nscf.in\nq-e-qe-7.5/test-suite/epw_trev_uspp/path.dat\nq-e-qe-7.5/test-suite/epw_trev_uspp/pathq.dat\nq-e-qe-7.5/test-suite/epw_trev_uspp/ph.in\nq-e-qe-7.5/test-suite/epw_trev_uspp/pp.in\nq-e-qe-7.5/test-suite/epw_trev_uspp/scf.in\nq-e-qe-7.5/test-suite/epw_wfpt/\nq-e-qe-7.5/test-suite/epw_wfpt/.gitignore\nq-e-qe-7.5/test-suite/epw_wfpt/README.md\nq-e-qe-7.5/test-suite/epw_wfpt/ahc1.in\nq-e-qe-7.5/test-suite/epw_wfpt/ahc2.in\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=ahc1.in.args=7\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=ahc2.in.args=7\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=epw11.in.args=3\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=epw12.in.args=3\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=epw21.in.args=3\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=epw22.in.args=3\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=epw23.in.args=3\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=matdyn.in.args=6\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=nscf1.in.args=1\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=nscf2.in.args=1\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_wfpt/epw11.in\nq-e-qe-7.5/test-suite/epw_wfpt/epw12.in\nq-e-qe-7.5/test-suite/epw_wfpt/epw21.in\nq-e-qe-7.5/test-suite/epw_wfpt/epw22.in\nq-e-qe-7.5/test-suite/epw_wfpt/epw23.in\nq-e-qe-7.5/test-suite/epw_wfpt/kpath.GammaX.txt\nq-e-qe-7.5/test-suite/epw_wfpt/matdyn.in\nq-e-qe-7.5/test-suite/epw_wfpt/nscf1.in\nq-e-qe-7.5/test-suite/epw_wfpt/nscf2.in\nq-e-qe-7.5/test-suite/epw_wfpt/ph.in\nq-e-qe-7.5/test-suite/epw_wfpt/postahc1.in\nq-e-qe-7.5/test-suite/epw_wfpt/postahc2.in\nq-e-qe-7.5/test-suite/epw_wfpt/pp.in\nq-e-qe-7.5/test-suite/epw_wfpt/q2r.in\nq-e-qe-7.5/test-suite/epw_wfpt/scf.in\nq-e-qe-7.5/test-suite/extract-all_currents.sh\nq-e-qe-7.5/test-suite/extract-cp.sh\nq-e-qe-7.5/test-suite/extract-epw.sh\nq-e-qe-7.5/test-suite/extract-hp.sh\nq-e-qe-7.5/test-suite/extract-image.sh\nq-e-qe-7.5/test-suite/extract-kcw.sh\nq-e-qe-7.5/test-suite/extract-oscdft-pp.sh\nq-e-qe-7.5/test-suite/extract-ph.sh\nq-e-qe-7.5/test-suite/extract-pioud.sh\nq-e-qe-7.5/test-suite/extract-pp.sh\nq-e-qe-7.5/test-suite/extract-pw.sh\nq-e-qe-7.5/test-suite/extract-tddfpt.sh\nq-e-qe-7.5/test-suite/extract-zg.sh\nq-e-qe-7.5/test-suite/gpu-resource-example.json\nq-e-qe-7.5/test-suite/hp_insulator_paw/\nq-e-qe-7.5/test-suite/hp_insulator_paw/BN.hp.in\nq-e-qe-7.5/test-suite/hp_insulator_paw/BN.scf.in\nq-e-qe-7.5/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/CrI3.hp.in\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/CrI3.scf.1.in\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/CrI3.scf.2.in\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.scf.1.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.scf.2.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_us/\nq-e-qe-7.5/test-suite/hp_insulator_us/LiCoO2.hp.in\nq-e-qe-7.5/test-suite/hp_insulator_us/LiCoO2.scf.in\nq-e-qe-7.5/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/LiCoO2.hp.in\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/LiCoO2.scf.in\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/NiO.hp.in\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/NiO.scf.1.in\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/NiO.scf.2.in\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=2\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=2\nq-e-qe-7.5/test-suite/hp_metal_paw_magn/\nq-e-qe-7.5/test-suite/hp_metal_paw_magn/Fe.hp.in\nq-e-qe-7.5/test-suite/hp_metal_paw_magn/Fe.scf.in\nq-e-qe-7.5/test-suite/hp_metal_paw_magn/benchmark.out.git.inp=Fe.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_metal_paw_magn/benchmark.out.git.inp=Fe.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_metal_paw_magn_intersiteV/\nq-e-qe-7.5/test-suite/hp_metal_paw_magn_intersiteV/LiNiO2.hp.in\nq-e-qe-7.5/test-suite/hp_metal_paw_magn_intersiteV/LiNiO2.scf.in\nq-e-qe-7.5/test-suite/hp_metal_paw_magn_intersiteV/benchmark.out.git.inp=LiNiO2.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_metal_paw_magn_intersiteV/benchmark.out.git.inp=LiNiO2.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_metal_us_magn/\nq-e-qe-7.5/test-suite/hp_metal_us_magn/Ni.hp.in\nq-e-qe-7.5/test-suite/hp_metal_us_magn/Ni.scf.in\nq-e-qe-7.5/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/bn.hp.in\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/bn.scf.in\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/au.hp.in\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/au.scf.in\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/bn.hp.in\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/bn.scf.in\nq-e-qe-7.5/test-suite/image_para/\nq-e-qe-7.5/test-suite/image_para/benchmark.out.git.inp=si.ph.in.args=2\nq-e-qe-7.5/test-suite/image_para/benchmark.out.git.inp=si.scf.in.args=1\nq-e-qe-7.5/test-suite/image_para/si.ph.in\nq-e-qe-7.5/test-suite/image_para/si.scf.in\nq-e-qe-7.5/test-suite/jobconfig\nq-e-qe-7.5/test-suite/kcw_ks/\nq-e-qe-7.5/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-ham.in.args=7\nq-e-qe-7.5/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-screen.in.args=16\nq-e-qe-7.5/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-wann2kcw.in.args=15\nq-e-qe-7.5/test-suite/kcw_ks/benchmark.out.git.inp=h2o.scf.in.args=1\nq-e-qe-7.5/test-suite/kcw_ks/h2o.kcw-ham.in\nq-e-qe-7.5/test-suite/kcw_ks/h2o.kcw-screen.in\nq-e-qe-7.5/test-suite/kcw_ks/h2o.kcw-wann2kcw.in\nq-e-qe-7.5/test-suite/kcw_ks/h2o.scf.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.kcw-ham.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.kcw-screen.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.kcw-wann2kcw.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.pw2wann.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.scf.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.win\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-ham.in.args=7\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-screen.in.args=6\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-wann2kcw.in.args=5\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.pw2wann.in.args=3\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.scf.in.args=1\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.win.args=2\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.win.args=4\nq-e-qe-7.5/test-suite/kcw_wann/\nq-e-qe-7.5/test-suite/kcw_wann/Si.kcw-ham.in\nq-e-qe-7.5/test-suite/kcw_wann/Si.kcw-screen.in\nq-e-qe-7.5/test-suite/kcw_wann/Si.kcw-wann2kcw.in\nq-e-qe-7.5/test-suite/kcw_wann/Si.pw2wann.in\nq-e-qe-7.5/test-suite/kcw_wann/Si.scf.in\nq-e-qe-7.5/test-suite/kcw_wann/Si.win\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-ham.in.args=7\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-screen.in.args=6\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-wann2kcw.in.args=5\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.pw2wann.in.args=3\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.scf.in.args=1\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.win.args=2\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.win.args=4\nq-e-qe-7.5/test-suite/kcw_wann_sym/\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.kcw-ham.in\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.kcw-screen.in\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.kcw-wann2kcw.in\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.pw2wann.in\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.scf.in\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.win\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-ham.in.args=7\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-screen.in.args=6\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-wann2kcw.in.args=5\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.pw2wann.in.args=3\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.scf.in.args=1\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.win.args=2\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.win.args=4\nq-e-qe-7.5/test-suite/noexe/\nq-e-qe-7.5/test-suite/noexe/benchmark.out.git.inp=langevin.in\nq-e-qe-7.5/test-suite/noexe/benchmark.out.git.inp=langevin_smc.in\nq-e-qe-7.5/test-suite/noexe/benchmark.out.git.inp=md_verlet_wall.in\nq-e-qe-7.5/test-suite/noexe/langevin.in\nq-e-qe-7.5/test-suite/noexe/langevin_smc.in\nq-e-qe-7.5/test-suite/noexe/md_verlet_wall.in\nq-e-qe-7.5/test-suite/not_epw_comp/\nq-e-qe-7.5/test-suite/not_epw_comp/epw1.in\nq-e-qe-7.5/test-suite/not_epw_comp/grid.py\nq-e-qe-7.5/test-suite/not_epw_comp/nscf_epw.in\nq-e-qe-7.5/test-suite/not_epw_comp/ph.in\nq-e-qe-7.5/test-suite/not_epw_comp/ph_epw.in\nq-e-qe-7.5/test-suite/not_epw_comp/scf.in\nq-e-qe-7.5/test-suite/not_epw_comp/scf_epw.in\nq-e-qe-7.5/test-suite/not_epw_scdm/\nq-e-qe-7.5/test-suite/not_epw_scdm/LGX.txt\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/not_epw_scdm/epw1.in\nq-e-qe-7.5/test-suite/not_epw_scdm/epw2.in\nq-e-qe-7.5/test-suite/not_epw_scdm/epw3.in\nq-e-qe-7.5/test-suite/not_epw_scdm/nscf.in\nq-e-qe-7.5/test-suite/not_epw_scdm/ph.in\nq-e-qe-7.5/test-suite/not_epw_scdm/pp.in\nq-e-qe-7.5/test-suite/not_epw_scdm/scf.in\nq-e-qe-7.5/test-suite/oscdft_pp/\nq-e-qe-7.5/test-suite/oscdft_pp/benchmark.out.git.inp=normalize.in.args=3_normalize.oscdft.in_pw.in\nq-e-qe-7.5/test-suite/oscdft_pp/benchmark.out.git.inp=view.in.args=3_view.oscdft.in_pw.in\nq-e-qe-7.5/test-suite/oscdft_pp/normalize.in\nq-e-qe-7.5/test-suite/oscdft_pp/normalize.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pp/pw.in\nq-e-qe-7.5/test-suite/oscdft_pp/view.in\nq-e-qe-7.5/test-suite/oscdft_pp/view.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=k.in.args=2_k.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=nooscdft.in.args=1\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=normcons.in.args=2_normcons.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=relax.in.args=2_scf.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=scf.in.args=2_scf.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=view.in.args=2_view.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/k.in\nq-e-qe-7.5/test-suite/oscdft_pw/k.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/nooscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/normcons.in\nq-e-qe-7.5/test-suite/oscdft_pw/normcons.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/relax.in\nq-e-qe-7.5/test-suite/oscdft_pw/scf.in\nq-e-qe-7.5/test-suite/oscdft_pw/scf.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/view.in\nq-e-qe-7.5/test-suite/oscdft_pw/view.oscdft.in\nq-e-qe-7.5/test-suite/ph_1d/\nq-e-qe-7.5/test-suite/ph_1d/benchmark.out.git.inp=ch4.dynmat.in.args=9\nq-e-qe-7.5/test-suite/ph_1d/benchmark.out.git.inp=ch4.ph.in.args=2\nq-e-qe-7.5/test-suite/ph_1d/benchmark.out.git.inp=ch4.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_1d/ch4.dynmat.in\nq-e-qe-7.5/test-suite/ph_1d/ch4.ph.in\nq-e-qe-7.5/test-suite/ph_1d/ch4.scf.in\nq-e-qe-7.5/test-suite/ph_2d/\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=matdyn1.in.args=8\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=matdyn2.in.args=8\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=q2r1.in.args=3\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=q2r2.in.args=3\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/ph_2d/matdyn1.in\nq-e-qe-7.5/test-suite/ph_2d/matdyn2.in\nq-e-qe-7.5/test-suite/ph_2d/ph.in\nq-e-qe-7.5/test-suite/ph_2d/q2r1.in\nq-e-qe-7.5/test-suite/ph_2d/q2r2.in\nq-e-qe-7.5/test-suite/ph_2d/scf.in\nq-e-qe-7.5/test-suite/ph_Ni_nc_spinorbit_mag/\nq-e-qe-7.5/test-suite/ph_Ni_nc_spinorbit_mag/Ni.ph.in\nq-e-qe-7.5/test-suite/ph_Ni_nc_spinorbit_mag/Ni.scf.in\nq-e-qe-7.5/test-suite/ph_Ni_nc_spinorbit_mag/benchmark.out.git.inp=Ni.ph.in.args=2\nq-e-qe-7.5/test-suite/ph_Ni_nc_spinorbit_mag/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/BN.phG.in\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/BN.phq.in\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/BN.scf.in\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.phq.in.args=2\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_U_insulator_us/\nq-e-qe-7.5/test-suite/ph_U_insulator_us/BN.phG.in\nq-e-qe-7.5/test-suite/ph_U_insulator_us/BN.phq.in\nq-e-qe-7.5/test-suite/ph_U_insulator_us/BN.scf.in\nq-e-qe-7.5/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.phq.in.args=2\nq-e-qe-7.5/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_U_metal_paw/\nq-e-qe-7.5/test-suite/ph_U_metal_paw/Ni.phq.in\nq-e-qe-7.5/test-suite/ph_U_metal_paw/Ni.scf.in\nq-e-qe-7.5/test-suite/ph_U_metal_paw/benchmark.out.git.inp=Ni.phq.in.args=2\nq-e-qe-7.5/test-suite/ph_U_metal_paw/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_U_metal_us/\nq-e-qe-7.5/test-suite/ph_U_metal_us/Fe.ph.in\nq-e-qe-7.5/test-suite/ph_U_metal_us/Fe.scf.in\nq-e-qe-7.5/test-suite/ph_U_metal_us/benchmark.out.git.inp=Fe.ph.in.args=2\nq-e-qe-7.5/test-suite/ph_U_metal_us/benchmark.out.git.inp=Fe.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_bas/\nq-e-qe-7.5/test-suite/ph_ahc_bas/.gitignore\nq-e-qe-7.5/test-suite/ph_ahc_bas/ahc1.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/ahc2.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc1.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc2.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=dvscfq2r.in.args=6\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=matdyn1.in.args=4\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=matdyn2.in.args=4\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=postahc1.in.args=7\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=postahc2.in.args=7\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=q2r.in.args=3\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_bas/dvscfq2r.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/matdyn1.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/matdyn2.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/nscf.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/ph.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/postahc1.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/postahc2.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/q2r.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/scf.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/\nq-e-qe-7.5/test-suite/ph_ahc_diam/.gitignore\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc1.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc2.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc3.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.dvscfq2r.doneutral.in.args=6\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.dvscfq2r.in.args=6\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn1.in.args=4\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn2.in.args=4\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn3.in.args=4\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.nscf.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.nscf.nosym.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ph.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc1.in.args=7\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc2.in.args=7\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc3.in.args=7\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.q2r.in.args=3\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.ahc1.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.ahc2.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.ahc3.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.dvscfq2r.doneutral.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.dvscfq2r.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.matdyn1.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.matdyn2.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.matdyn3.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.nscf.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.nscf.nosym.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.ph.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.postahc1.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.postahc2.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.postahc3.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.q2r.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.scf.in\nq-e-qe-7.5/test-suite/ph_base/\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=c.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=c.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=ni.phX.in.args=2\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=ni.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=nipaw.phX.in.args=2\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=nipaw.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=si.ph.in.args=8\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=si.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=si.phX.in.args=2\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=si.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_base/c.phG.in\nq-e-qe-7.5/test-suite/ph_base/c.scf.in\nq-e-qe-7.5/test-suite/ph_base/ni.phX.in\nq-e-qe-7.5/test-suite/ph_base/ni.scf.in\nq-e-qe-7.5/test-suite/ph_base/nipaw.phX.in\nq-e-qe-7.5/test-suite/ph_base/nipaw.scf.in\nq-e-qe-7.5/test-suite/ph_base/si.phG.in\nq-e-qe-7.5/test-suite/ph_base/si.phX.in\nq-e-qe-7.5/test-suite/ph_base/si.scf.in\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/O2.phG.in\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/O2.scf.1.in\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/O2.scf.2.in\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.scf.1.in.args=1\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.scf.2.in.args=1\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/NiO.phG.in\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/NiO.scf.1.in\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/NiO.scf.2.in\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=1\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=1\nq-e-qe-7.5/test-suite/ph_interpol_metal/\nq-e-qe-7.5/test-suite/ph_interpol_metal/al.dvscfq2r.in\nq-e-qe-7.5/test-suite/ph_interpol_metal/al.elph.in\nq-e-qe-7.5/test-suite/ph_interpol_metal/al.elph.interpol.in\nq-e-qe-7.5/test-suite/ph_interpol_metal/al.ph.in\nq-e-qe-7.5/test-suite/ph_interpol_metal/al.scf.in\nq-e-qe-7.5/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.dvscfq2r.in.args=6\nq-e-qe-7.5/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.elph.in.args=2\nq-e-qe-7.5/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.elph.interpol.in.args=2\nq-e-qe-7.5/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.ph.in.args=2\nq-e-qe-7.5/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_metal/\nq-e-qe-7.5/test-suite/ph_metal/al.elph.in\nq-e-qe-7.5/test-suite/ph_metal/al.elph.notrans.in\nq-e-qe-7.5/test-suite/ph_metal/al.scf.fit.in\nq-e-qe-7.5/test-suite/ph_metal/al.scf.in\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=al.elph.in.args=2\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=al.elph.notrans.in.args=2\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=al.scf.fit.in.args=1\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=al.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=lambda.in.args=5\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=matdyn.in.dos.args=4\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=matdyn.in.freq.args=4\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=q2r.in.args=3\nq-e-qe-7.5/test-suite/ph_metal/lambda.in\nq-e-qe-7.5/test-suite/ph_metal/matdyn.in.dos\nq-e-qe-7.5/test-suite/ph_metal/matdyn.in.freq\nq-e-qe-7.5/test-suite/ph_metal/q2r.in\nq-e-qe-7.5/test-suite/ph_multipole/\nq-e-qe-7.5/test-suite/ph_multipole/README.txt\nq-e-qe-7.5/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.01.args=2\nq-e-qe-7.5/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.02.args=2\nq-e-qe-7.5/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.03.args=2\nq-e-qe-7.5/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.04.args=13\nq-e-qe-7.5/test-suite/ph_multipole/benchmark.out.git.inp=scf.in.args=12\nq-e-qe-7.5/test-suite/ph_multipole/multipole.py\nq-e-qe-7.5/test-suite/ph_multipole/ph.in\nq-e-qe-7.5/test-suite/ph_multipole/ph.in.01\nq-e-qe-7.5/test-suite/ph_multipole/ph.in.02\nq-e-qe-7.5/test-suite/ph_multipole/ph.in.03\nq-e-qe-7.5/test-suite/ph_multipole/ph.in.04\nq-e-qe-7.5/test-suite/ph_multipole/scf.in\nq-e-qe-7.5/test-suite/ph_restart/\nq-e-qe-7.5/test-suite/ph_restart/SiC.phG.in\nq-e-qe-7.5/test-suite/ph_restart/SiC.phG.restart1.in\nq-e-qe-7.5/test-suite/ph_restart/SiC.phG.restart2.in\nq-e-qe-7.5/test-suite/ph_restart/SiC.phG.restart3.in\nq-e-qe-7.5/test-suite/ph_restart/SiC.phG.restart4.in\nq-e-qe-7.5/test-suite/ph_restart/SiC.scf.in\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart1.in.args=2\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart2.in.args=2\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart3.in.args=2\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart4.in.args=2\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_twochem/\nq-e-qe-7.5/test-suite/ph_twochem/benchmark.out.git.inp=phG_twochem.in.args=11\nq-e-qe-7.5/test-suite/ph_twochem/benchmark.out.git.inp=scf_twochem.in.args=1\nq-e-qe-7.5/test-suite/ph_twochem/phG_twochem.in\nq-e-qe-7.5/test-suite/ph_twochem/scf_twochem.in\nq-e-qe-7.5/test-suite/pioud_diamond/\nq-e-qe-7.5/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_ceriotti.in\nq-e-qe-7.5/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_pimd.in\nq-e-qe-7.5/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_verlet.in\nq-e-qe-7.5/test-suite/pioud_diamond/diamond_ceriotti.in\nq-e-qe-7.5/test-suite/pioud_diamond/diamond_pimd.in\nq-e-qe-7.5/test-suite/pioud_diamond/diamond_verlet.in\nq-e-qe-7.5/test-suite/pp_acf/\nq-e-qe-7.5/test-suite/pp_acf/benchmark.out.git.inp=ppacf_fock.in.args=2\nq-e-qe-7.5/test-suite/pp_acf/benchmark.out.git.inp=scf_vdw.in.args=1\nq-e-qe-7.5/test-suite/pp_acf/ppacf_fock.in\nq-e-qe-7.5/test-suite/pp_acf/scf_vdw.in\nq-e-qe-7.5/test-suite/pw_atom/\nq-e-qe-7.5/test-suite/pw_atom/atom-lsda.in\nq-e-qe-7.5/test-suite/pw_atom/atom-occ1.in\nq-e-qe-7.5/test-suite/pw_atom/atom-occ2.in\nq-e-qe-7.5/test-suite/pw_atom/atom-pbe.in\nq-e-qe-7.5/test-suite/pw_atom/atom-sigmapbe.in\nq-e-qe-7.5/test-suite/pw_atom/atom.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom-lsda.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom-occ1.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom-occ2.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom-pbe.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom-sigmapbe.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom.in\nq-e-qe-7.5/test-suite/pw_b3lyp/\nq-e-qe-7.5/test-suite/pw_b3lyp/b3lyp-O.in\nq-e-qe-7.5/test-suite/pw_b3lyp/b3lyp-h2o.in\nq-e-qe-7.5/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-O.in\nq-e-qe-7.5/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-h2o.in\nq-e-qe-7.5/test-suite/pw_b3lyp/benchmark.out.git.inp=x3lyp-O.in\nq-e-qe-7.5/test-suite/pw_b3lyp/benchmark.out.git.inp=x3lyp-h2o.in\nq-e-qe-7.5/test-suite/pw_b3lyp/x3lyp-O.in\nq-e-qe-7.5/test-suite/pw_b3lyp/x3lyp-h2o.in\nq-e-qe-7.5/test-suite/pw_berry/\nq-e-qe-7.5/test-suite/pw_berry/benchmark.out.git.inp=berry-1.in\nq-e-qe-7.5/test-suite/pw_berry/benchmark.out.git.inp=berry-2.in\nq-e-qe-7.5/test-suite/pw_berry/benchmark.out.git.inp=berry.in\nq-e-qe-7.5/test-suite/pw_berry/berry-1.in\nq-e-qe-7.5/test-suite/pw_berry/berry-2.in\nq-e-qe-7.5/test-suite/pw_berry/berry.in\nq-e-qe-7.5/test-suite/pw_cluster/\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster1.in\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster2.in\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster3.in\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster4.in\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster5.in\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster6.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster1.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster2.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster3.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster4.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster5.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster6.in\nq-e-qe-7.5/test-suite/pw_dft/\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft1.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft10.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft11.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft2.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft3.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft4.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft5.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft6.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft7.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft8.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft9.in\nq-e-qe-7.5/test-suite/pw_dft/dft1.in\nq-e-qe-7.5/test-suite/pw_dft/dft10.in\nq-e-qe-7.5/test-suite/pw_dft/dft11.in\nq-e-qe-7.5/test-suite/pw_dft/dft2.in\nq-e-qe-7.5/test-suite/pw_dft/dft3.in\nq-e-qe-7.5/test-suite/pw_dft/dft4.in\nq-e-qe-7.5/test-suite/pw_dft/dft5.in\nq-e-qe-7.5/test-suite/pw_dft/dft6.in\nq-e-qe-7.5/test-suite/pw_dft/dft7.in\nq-e-qe-7.5/test-suite/pw_dft/dft8.in\nq-e-qe-7.5/test-suite/pw_dft/dft9.in\nq-e-qe-7.5/test-suite/pw_dipole/\nq-e-qe-7.5/test-suite/pw_dipole/2dcutoff.in\nq-e-qe-7.5/test-suite/pw_dipole/benchmark.out.git.inp=2dcutoff.in\nq-e-qe-7.5/test-suite/pw_dipole/benchmark.out.git.inp=dipole.in\nq-e-qe-7.5/test-suite/pw_dipole/dipole.in\nq-e-qe-7.5/test-suite/pw_electric/\nq-e-qe-7.5/test-suite/pw_electric/benchmark.out.git.inp=electric-1.in\nq-e-qe-7.5/test-suite/pw_electric/benchmark.out.git.inp=electric-2.in\nq-e-qe-7.5/test-suite/pw_electric/benchmark.out.git.inp=electric.in\nq-e-qe-7.5/test-suite/pw_electric/electric-1.in\nq-e-qe-7.5/test-suite/pw_electric/electric-2.in\nq-e-qe-7.5/test-suite/pw_electric/electric.in\nq-e-qe-7.5/test-suite/pw_eval/\nq-e-qe-7.5/test-suite/pw_eval/benchmark.out.git.inp=eval_infix-2.in\nq-e-qe-7.5/test-suite/pw_eval/benchmark.out.git.inp=eval_infix.in\nq-e-qe-7.5/test-suite/pw_eval/eval_infix-2.in\nq-e-qe-7.5/test-suite/pw_eval/eval_infix.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/\nq-e-qe-7.5/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si111.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si222.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si444.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/gau-pbe-si111.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/gau-pbe-si222.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/gau-pbe-si444.in\nq-e-qe-7.5/test-suite/pw_hse/\nq-e-qe-7.5/test-suite/pw_hse/benchmark.out.git.inp=hse-si111.in\nq-e-qe-7.5/test-suite/pw_hse/benchmark.out.git.inp=hse-si222.in\nq-e-qe-7.5/test-suite/pw_hse/benchmark.out.git.inp=hse-si444.in\nq-e-qe-7.5/test-suite/pw_hse/hse-si111.in\nq-e-qe-7.5/test-suite/pw_hse/hse-si222.in\nq-e-qe-7.5/test-suite/pw_hse/hse-si444.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-12-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-12.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-3-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-3.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-5-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-5.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters+a.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters+celldm.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters-ang.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav1-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav1.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav10-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav10.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav11-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav11.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav12-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav12.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav13-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav13.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav14-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav14.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav2-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav2.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav3-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav3.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav4-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav4.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav5-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav5.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav6-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav6.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav7-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav7.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav8-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav8.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav9-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav9.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-wyckoff-sio2.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-12-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-12.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-3-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-3.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-5-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-5.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters+a.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters+celldm.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters-ang.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav1-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav1.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav10-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav10.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav11-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav11.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav12-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav12.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav13-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav13.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav14-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav14.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav2-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav2.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav3-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav3.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav4-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav4.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav5-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav5.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav6-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav6.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav7-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav7.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav8-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav8.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav9-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav9.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-wyckoff-sio2.in\nq-e-qe-7.5/test-suite/pw_lda+U/\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+J0.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V-user_ns.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_background.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_force_stress_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_noncol_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U-noU.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U-user_ns.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_background_one_channel.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_background_two_channels.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_force.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_force_stress_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_gamma.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_kind1_collin.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_kind1_noncollin.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_noncol_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_orbital_resolved.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_pseudo.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U+J0.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U+V-user_ns.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U+V_background.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U+V_force_stress_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U+V_noncol_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U-noU.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U-noU.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U-user_ns.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U-user_ns.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_background_one_channel.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_background_two_channels.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_force.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_force.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_force_stress_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_gamma.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_gamma.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_kind1_collin.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_kind1_noncollin.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_noncol_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_orbital_resolved.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_orbital_resolved.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_pseudo.in\nq-e-qe-7.5/test-suite/pw_libxc/\nq-e-qe-7.5/test-suite/pw_libxc/benchmark.out.git.inp=gga_unpol_atom-pbe.in\nq-e-qe-7.5/test-suite/pw_libxc/benchmark.out.git.inp=hyb_gga_unpol_hse-si111.in\nq-e-qe-7.5/test-suite/pw_libxc/benchmark.out.git.inp=lda_pol_atom-lsda.in\nq-e-qe-7.5/test-suite/pw_libxc/benchmark.out.git.inp=mgga_unpol_metaGGA.in\nq-e-qe-7.5/test-suite/pw_libxc/gga_unpol_atom-pbe.in\nq-e-qe-7.5/test-suite/pw_libxc/hyb_gga_unpol_hse-si111.in\nq-e-qe-7.5/test-suite/pw_libxc/lda_pol_atom-lsda.in\nq-e-qe-7.5/test-suite/pw_libxc/mgga_unpol_metaGGA.in\nq-e-qe-7.5/test-suite/pw_lsda/\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-2.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-cg.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-nelup+neldw.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-tot_magnetization.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-2.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-cg.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-nelup+neldw.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-tot_magnetization.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda.in\nq-e-qe-7.5/test-suite/pw_md/\nq-e-qe-7.5/test-suite/pw_md/CMakeLists.txt\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap1.in\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap1.in.args=1\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap2.in\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap2.in.args=2\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-wfc_extrap1.in.args=1\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-wfc_extrap2.in.args=2\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md.in.args=1\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md_restart_verlet.in.args=22\nq-e-qe-7.5/test-suite/pw_md/md-pot_extrap1.in\nq-e-qe-7.5/test-suite/pw_md/md-pot_extrap2.in\nq-e-qe-7.5/test-suite/pw_md/md-wfc_extrap1.in\nq-e-qe-7.5/test-suite/pw_md/md-wfc_extrap2.in\nq-e-qe-7.5/test-suite/pw_md/md.in\nq-e-qe-7.5/test-suite/pw_md/md_restart_verlet.in\nq-e-qe-7.5/test-suite/pw_md/md_restart_verlet_original.md\nq-e-qe-7.5/test-suite/pw_metaGGA/\nq-e-qe-7.5/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-1.in\nq-e-qe-7.5/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-2.in\nq-e-qe-7.5/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-spin.in\nq-e-qe-7.5/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA.in\nq-e-qe-7.5/test-suite/pw_metaGGA/metaGGA-1.in\nq-e-qe-7.5/test-suite/pw_metaGGA/metaGGA-2.in\nq-e-qe-7.5/test-suite/pw_metaGGA/metaGGA-spin.in\nq-e-qe-7.5/test-suite/pw_metaGGA/metaGGA.in\nq-e-qe-7.5/test-suite/pw_metal/\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-2.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-fermi_dirac.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-gaussian.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra-1.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra-2.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal.in\nq-e-qe-7.5/test-suite/pw_metal/metal-2.in\nq-e-qe-7.5/test-suite/pw_metal/metal-fermi_dirac.in\nq-e-qe-7.5/test-suite/pw_metal/metal-gaussian.in\nq-e-qe-7.5/test-suite/pw_metal/metal-tetrahedra-1.in\nq-e-qe-7.5/test-suite/pw_metal/metal-tetrahedra-2.in\nq-e-qe-7.5/test-suite/pw_metal/metal-tetrahedra.in\nq-e-qe-7.5/test-suite/pw_metal/metal.in\nq-e-qe-7.5/test-suite/pw_noncolin/\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-1.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-2.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-cg.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_angle.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_atomic.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_total.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-hyb.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-pbe.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-rmm.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-1.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-2.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-cg.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-constrain_angle.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-constrain_atomic.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-constrain_total.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-hyb.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-pbe.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-rmm.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin.in\nq-e-qe-7.5/test-suite/pw_pawatom/\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_l=2.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_lda.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_spin.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_spin_lda.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_tqr.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-bfgs.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-vcbfgs.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom_l=2.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom_lda.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom_spin.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom_spin_lda.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom_tqr.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-bfgs.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-vcbfgs.in\nq-e-qe-7.5/test-suite/pw_pbe/\nq-e-qe-7.5/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si111.in\nq-e-qe-7.5/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si222.in\nq-e-qe-7.5/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si444.in\nq-e-qe-7.5/test-suite/pw_pbe/benchmark.out.git.inp=pbeq2d.in\nq-e-qe-7.5/test-suite/pw_pbe/pbe0-si111.in\nq-e-qe-7.5/test-suite/pw_pbe/pbe0-si222.in\nq-e-qe-7.5/test-suite/pw_pbe/pbe0-si444.in\nq-e-qe-7.5/test-suite/pw_pbe/pbeq2d.in\nq-e-qe-7.5/test-suite/pw_plugins/\nq-e-qe-7.5/test-suite/pw_plugins/benchmark.out.git.inp=plugin-pw2casino_1.in.args=48\nq-e-qe-7.5/test-suite/pw_plugins/benchmark.out.git.inp=plugin-pw2casino_2.in.args=48\nq-e-qe-7.5/test-suite/pw_plugins/plugin-pw2casino_1.in\nq-e-qe-7.5/test-suite/pw_plugins/plugin-pw2casino_2.in\nq-e-qe-7.5/test-suite/pw_realspace/\nq-e-qe-7.5/test-suite/pw_realspace/benchmark.out.git.inp=cluster_gs.in\nq-e-qe-7.5/test-suite/pw_realspace/benchmark.out.git.inp=cluster_gs50.in\nq-e-qe-7.5/test-suite/pw_realspace/benchmark.out.git.inp=cluster_rs.in\nq-e-qe-7.5/test-suite/pw_realspace/benchmark.out.git.inp=cluster_rs50.in\nq-e-qe-7.5/test-suite/pw_realspace/cluster_gs.in\nq-e-qe-7.5/test-suite/pw_realspace/cluster_gs50.in\nq-e-qe-7.5/test-suite/pw_realspace/cluster_rs.in\nq-e-qe-7.5/test-suite/pw_realspace/cluster_rs50.in\nq-e-qe-7.5/test-suite/pw_relax/\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax-damped.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax-el.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax-extfor.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax-fire.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax2-bfgs_ndim3.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax2.in\nq-e-qe-7.5/test-suite/pw_relax/relax-damped.in\nq-e-qe-7.5/test-suite/pw_relax/relax-el.in\nq-e-qe-7.5/test-suite/pw_relax/relax-extfor.in\nq-e-qe-7.5/test-suite/pw_relax/relax-fire.in\nq-e-qe-7.5/test-suite/pw_relax/relax.in\nq-e-qe-7.5/test-suite/pw_relax/relax2-bfgs_ndim3.in\nq-e-qe-7.5/test-suite/pw_relax/relax2.in\nq-e-qe-7.5/test-suite/pw_scf/\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-1.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-2.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-allfrac.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-cg-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-cg.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io-1.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io-2.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-gth.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-k0.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-kauto.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-kcrys.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_beta.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-ncpp.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-nofrac.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-occ.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-paro-k.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-k.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-paro-k.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf.in\nq-e-qe-7.5/test-suite/pw_scf/scf-1.in\nq-e-qe-7.5/test-suite/pw_scf/scf-2.in\nq-e-qe-7.5/test-suite/pw_scf/scf-allfrac.in\nq-e-qe-7.5/test-suite/pw_scf/scf-cg-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/scf-cg.in\nq-e-qe-7.5/test-suite/pw_scf/scf-disk_io-1.in\nq-e-qe-7.5/test-suite/pw_scf/scf-disk_io-2.in\nq-e-qe-7.5/test-suite/pw_scf/scf-disk_io.in\nq-e-qe-7.5/test-suite/pw_scf/scf-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/scf-gth.in\nq-e-qe-7.5/test-suite/pw_scf/scf-k0.in\nq-e-qe-7.5/test-suite/pw_scf/scf-kauto.in\nq-e-qe-7.5/test-suite/pw_scf/scf-kcrys.in\nq-e-qe-7.5/test-suite/pw_scf/scf-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_scf/scf-mixing_beta.in\nq-e-qe-7.5/test-suite/pw_scf/scf-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_scf/scf-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_scf/scf-ncpp.in\nq-e-qe-7.5/test-suite/pw_scf/scf-nofrac.in\nq-e-qe-7.5/test-suite/pw_scf/scf-occ.in\nq-e-qe-7.5/test-suite/pw_scf/scf-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/scf-paro-k.in\nq-e-qe-7.5/test-suite/pw_scf/scf-rmm-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/scf-rmm-k.in\nq-e-qe-7.5/test-suite/pw_scf/scf-rmm-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/scf-rmm-paro-k.in\nq-e-qe-7.5/test-suite/pw_scf/scf.in\nq-e-qe-7.5/test-suite/pw_spinorbit/\nq-e-qe-7.5/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-1.in\nq-e-qe-7.5/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-3.in\nq-e-qe-7.5/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-paw.in\nq-e-qe-7.5/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-pbe.in\nq-e-qe-7.5/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit.in\nq-e-qe-7.5/test-suite/pw_spinorbit/spinorbit-1.in\nq-e-qe-7.5/test-suite/pw_spinorbit/spinorbit-3.in\nq-e-qe-7.5/test-suite/pw_spinorbit/spinorbit-paw.in\nq-e-qe-7.5/test-suite/pw_spinorbit/spinorbit-pbe.in\nq-e-qe-7.5/test-suite/pw_spinorbit/spinorbit.in\nq-e-qe-7.5/test-suite/pw_twochem/\nq-e-qe-7.5/test-suite/pw_twochem/benchmark.out.git.inp=nscf_twochem.in.args=2\nq-e-qe-7.5/test-suite/pw_twochem/benchmark.out.git.inp=relax_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/benchmark.out.git.inp=scf_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/benchmark.out.git.inp=vc-relax_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/nscf_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/relax_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/scf_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/vc-relax_twochem.in\nq-e-qe-7.5/test-suite/pw_uspp/\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-2.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-cg-gamma.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-cg.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-g.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-k.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-paro-k.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-singlegrid.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp1-coulomb.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp1.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp2.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-2.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-cg-gamma.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-cg.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-hyb-g.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-hyb-k.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-paro-k.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-singlegrid.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp1-coulomb.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp1.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp2.in\nq-e-qe-7.5/test-suite/pw_vc-relax/\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-md1.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-md2.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax1.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax2.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax3.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax4.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax5.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax6.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-md1.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-md2.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax1.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax2.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax3.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax4.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax5.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax6.in\nq-e-qe-7.5/test-suite/pw_vdw/\nq-e-qe-7.5/test-suite/pw_vdw/beef-spin.in\nq-e-qe-7.5/test-suite/pw_vdw/beef.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=beef-spin.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=beef.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=rVV10.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdW-DF3-opt1.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdW-DF3-opt2.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdw-d2.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdw-d3.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdw-mbd-vc-relax.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdw-mbd.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdw-ts.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=xdm.in\nq-e-qe-7.5/test-suite/pw_vdw/rVV10.in\nq-e-qe-7.5/test-suite/pw_vdw/vdW-DF3-opt1.in\nq-e-qe-7.5/test-suite/pw_vdw/vdW-DF3-opt2.in\nq-e-qe-7.5/test-suite/pw_vdw/vdw-d2.in\nq-e-qe-7.5/test-suite/pw_vdw/vdw-d3.in\nq-e-qe-7.5/test-suite/pw_vdw/vdw-mbd-vc-relax.in\nq-e-qe-7.5/test-suite/pw_vdw/vdw-mbd.in\nq-e-qe-7.5/test-suite/pw_vdw/vdw-ts.in\nq-e-qe-7.5/test-suite/pw_vdw/xdm.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-gamma-restart-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-gamma-restart-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-k-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-k-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-gamma-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-gamma-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-restart-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-restart-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-smearing-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-smearing-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/ncpp-gamma-restart-1.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/ncpp-gamma-restart-2.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/ncpp-k-1.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/ncpp-k-2.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-gamma-1.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-gamma-2.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-k-restart-1.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-k-restart-2.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-k-smearing-1.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-k-smearing-2.in\nq-e-qe-7.5/test-suite/pw_workflow_relax_relax/\nq-e-qe-7.5/test-suite/pw_workflow_relax_relax/benchmark.out.git.inp=relax-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_relax_relax/benchmark.out.git.inp=relax-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_relax_relax/relax-1.in\nq-e-qe-7.5/test-suite/pw_workflow_relax_relax/relax-2.in\nq-e-qe-7.5/test-suite/pw_workflow_scf_dos/\nq-e-qe-7.5/test-suite/pw_workflow_scf_dos/benchmark.out.git.inp=scf-dos-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_scf_dos/benchmark.out.git.inp=scf-dos-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_scf_dos/scf-dos-1.in\nq-e-qe-7.5/test-suite/pw_workflow_scf_dos/scf-dos-2.in\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_dos/\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_dos/benchmark.out.git.inp=vc-relax-dos-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_dos/benchmark.out.git.inp=vc-relax-dos-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_dos/vc-relax-dos-1.in\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_dos/vc-relax-dos-2.in\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/benchmark.out.git.inp=vc-relax-scf-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/benchmark.out.git.inp=vc-relax-scf-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-1.expected_exit_msg\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-1.in\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-2.in\nq-e-qe-7.5/test-suite/run-all_currents.sh\nq-e-qe-7.5/test-suite/run-cp.sh\nq-e-qe-7.5/test-suite/run-epw.sh\nq-e-qe-7.5/test-suite/run-hp.sh\nq-e-qe-7.5/test-suite/run-image.sh\nq-e-qe-7.5/test-suite/run-kcw.sh\nq-e-qe-7.5/test-suite/run-oscdft.sh\nq-e-qe-7.5/test-suite/run-ph.sh\nq-e-qe-7.5/test-suite/run-pioud.sh\nq-e-qe-7.5/test-suite/run-pp.sh\nq-e-qe-7.5/test-suite/run-pw.sh\nq-e-qe-7.5/test-suite/run-tddfpt.sh\nq-e-qe-7.5/test-suite/run-zg.sh\nq-e-qe-7.5/test-suite/tddfpt_CH4/\nq-e-qe-7.5/test-suite/tddfpt_CH4/CH4.pw.in\nq-e-qe-7.5/test-suite/tddfpt_CH4/CH4.tddfpt.in\nq-e-qe-7.5/test-suite/tddfpt_CH4/CH4.tddfpt_pp.in\nq-e-qe-7.5/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.pw.in.args=1\nq-e-qe-7.5/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.tddfpt.in.args=2\nq-e-qe-7.5/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.tddfpt_pp.in.args=3\nq-e-qe-7.5/test-suite/tddfpt_eels-si/\nq-e-qe-7.5/test-suite/tddfpt_eels-si/Si.pw.in\nq-e-qe-7.5/test-suite/tddfpt_eels-si/Si.tddfpt-eels.in\nq-e-qe-7.5/test-suite/tddfpt_eels-si/Si.tddfpt_pp_eels.in\nq-e-qe-7.5/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.pw.in.args=1\nq-e-qe-7.5/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.tddfpt-eels.in.args=5\nq-e-qe-7.5/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.tddfpt_pp_eels.in.args=4\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/Fe.pw.in\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/Fe.tddfpt-magnons.in\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/Fe.tddfpt_pp_magnons.in\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.pw.in.args=1\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.tddfpt-magnons.in.args=6\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.tddfpt_pp_magnons.in.args=7\nq-e-qe-7.5/test-suite/testcode/\nq-e-qe-7.5/test-suite/testcode/LICENSE\nq-e-qe-7.5/test-suite/testcode/README.rst\nq-e-qe-7.5/test-suite/testcode/bin/\nq-e-qe-7.5/test-suite/testcode/bin/testcode.py\nq-e-qe-7.5/test-suite/testcode/docs/\nq-e-qe-7.5/test-suite/testcode/docs/.static/\nq-e-qe-7.5/test-suite/testcode/docs/.static/dummy_file\nq-e-qe-7.5/test-suite/testcode/docs/.templates/\nq-e-qe-7.5/test-suite/testcode/docs/.templates/dummy_file\nq-e-qe-7.5/test-suite/testcode/docs/Makefile\nq-e-qe-7.5/test-suite/testcode/docs/conf.py\nq-e-qe-7.5/test-suite/testcode/docs/configuration_files.rst\nq-e-qe-7.5/test-suite/testcode/docs/index.rst\nq-e-qe-7.5/test-suite/testcode/docs/installation.rst\nq-e-qe-7.5/test-suite/testcode/docs/jobconfig.rst\nq-e-qe-7.5/test-suite/testcode/docs/testcode.py.rst\nq-e-qe-7.5/test-suite/testcode/docs/userconfig.rst\nq-e-qe-7.5/test-suite/testcode/docs/verification.rst\nq-e-qe-7.5/test-suite/testcode/lib/\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/__init__.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/_functools_dummy.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/ansi.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/compatibility.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/config.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/dir_lock.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/exceptions.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/queues.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/util.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/validation.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/vcs.py\nq-e-qe-7.5/test-suite/userconfig.tmp\nq-e-qe-7.5/test-suite/validate_xsd_pw.py\nq-e-qe-7.5/test-suite/xsd_pw/\nq-e-qe-7.5/test-suite/xsd_pw/WaterP1_0_scf_0.in\nq-e-qe-7.5/test-suite/zg_conf/\nq-e-qe-7.5/test-suite/zg_conf/benchmark.out.git.inp=zg.in.args=0\nq-e-qe-7.5/test-suite/zg_conf/si.10_10_10.fc\nq-e-qe-7.5/test-suite/zg_conf/zg.in\nq-e-qe-7.5/upflib/\nq-e-qe-7.5/upflib/CMakeLists.txt\nq-e-qe-7.5/upflib/Makefile\nq-e-qe-7.5/upflib/README.md\nq-e-qe-7.5/upflib/TODO_upflib.md\nq-e-qe-7.5/upflib/atom.f90\nq-e-qe-7.5/upflib/atomic_number.f90\nq-e-qe-7.5/upflib/atwfc_mod.f90\nq-e-qe-7.5/upflib/beta_mod.f90\nq-e-qe-7.5/upflib/casino2upf.f90\nq-e-qe-7.5/upflib/casino_pp.f90\nq-e-qe-7.5/upflib/dom.f90\nq-e-qe-7.5/upflib/dqvan2.f90\nq-e-qe-7.5/upflib/dylmr2.f90\nq-e-qe-7.5/upflib/fixfiles.py\nq-e-qe-7.5/upflib/gen_us_dj.f90\nq-e-qe-7.5/upflib/gen_us_dy.f90\nq-e-qe-7.5/upflib/gth.f90\nq-e-qe-7.5/upflib/hgh2qe.f90\nq-e-qe-7.5/upflib/init_us_0.f90\nq-e-qe-7.5/upflib/init_us_1.f90\nq-e-qe-7.5/upflib/init_us_2_acc.f90\nq-e-qe-7.5/upflib/init_us_b0.f90\nq-e-qe-7.5/upflib/paw_variables.f90\nq-e-qe-7.5/upflib/pseudo_types.f90\nq-e-qe-7.5/upflib/qrad_mod.f90\nq-e-qe-7.5/upflib/qvan2.f90\nq-e-qe-7.5/upflib/radial_grids.f90\nq-e-qe-7.5/upflib/read_cpmd.f90\nq-e-qe-7.5/upflib/read_fhi.f90\nq-e-qe-7.5/upflib/read_ncpp.f90\nq-e-qe-7.5/upflib/read_ps.f90\nq-e-qe-7.5/upflib/read_psml.f90\nq-e-qe-7.5/upflib/read_upf_new.f90\nq-e-qe-7.5/upflib/read_upf_v1.f90\nq-e-qe-7.5/upflib/read_uspp.f90\nq-e-qe-7.5/upflib/rhoat_mod.f90\nq-e-qe-7.5/upflib/rhoc_mod.f90\nq-e-qe-7.5/upflib/simpsn.f90\nq-e-qe-7.5/upflib/sph_bes.f90\nq-e-qe-7.5/upflib/sph_ind.f90\nq-e-qe-7.5/upflib/spinor.f90\nq-e-qe-7.5/upflib/splinelib.f90\nq-e-qe-7.5/upflib/upf_auxtools.f90\nq-e-qe-7.5/upflib/upf_const.f90\nq-e-qe-7.5/upflib/upf_error.f90\nq-e-qe-7.5/upflib/upf_invmat.f90\nq-e-qe-7.5/upflib/upf_io.f90\nq-e-qe-7.5/upflib/upf_ions.f90\nq-e-qe-7.5/upflib/upf_kinds.f90\nq-e-qe-7.5/upflib/upf_kinds.h\nq-e-qe-7.5/upflib/upf_parallel_include.f90\nq-e-qe-7.5/upflib/upf_params.f90\nq-e-qe-7.5/upflib/upf_spinorb.f90\nq-e-qe-7.5/upflib/upf_to_internal.f90\nq-e-qe-7.5/upflib/upf_utils.f90\nq-e-qe-7.5/upflib/upfconv.f90\nq-e-qe-7.5/upflib/uspp.f90\nq-e-qe-7.5/upflib/uspp_param.f90\nq-e-qe-7.5/upflib/virtual_v2.f90\nq-e-qe-7.5/upflib/vloc_mod.f90\nq-e-qe-7.5/upflib/write_upf_new.f90\nq-e-qe-7.5/upflib/wxml.f90\nq-e-qe-7.5/upflib/xmltools.f90\nq-e-qe-7.5/upflib/ylmr2.f90\nq-e-qe-7.5/upflib/ylmr2_gpu.f90\n/kaggle/working/q-e-qe-7.5\n","output_type":"stream"}],"execution_count":2},{"cell_type":"markdown","source":"Here, nvfortran is a requirement otherwise the code cannot work. Use cuda 12.3 or above (use versions which give direct tarball over the newer 13.0+ interactive installer as it does not work).","metadata":{}},{"cell_type":"code","source":"%cd /kaggle/working\n!wget https://developer.download.nvidia.com/hpc-sdk/24.11/nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\n!tar xpzf nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\n!rm -rf nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T07:42:52.078880Z","iopub.execute_input":"2026-07-30T07:42:52.079620Z","iopub.status.idle":"2026-07-30T07:50:53.092326Z","shell.execute_reply.started":"2026-07-30T07:42:52.079579Z","shell.execute_reply":"2026-07-30T07:50:53.090340Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"/kaggle/working\n--2026-07-30 07:42:52-- https://developer.download.nvidia.com/hpc-sdk/24.11/nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\nResolving developer.download.nvidia.com (developer.download.nvidia.com)... 23.46.228.176, 23.46.228.170\nConnecting to developer.download.nvidia.com (developer.download.nvidia.com)|23.46.228.176|:443... connected.\nHTTP request sent, awaiting response... 200 OK\nLength: 6131381079 (5.7G) [application/x-tar]\nSaving to: ‘nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz’\n\nnvhpc_2024_2411_Lin 100%[===================>] 5.71G 18.2MB/s in 6m 0s \n\n2026-07-30 07:48:52 (16.3 MB/s) - ‘nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz’ saved [6131381079/6131381079]\n\n","output_type":"stream"}],"execution_count":3},{"cell_type":"markdown","source":"## 3. Setting environment for running ","metadata":{}},{"cell_type":"markdown","source":"This part is extremely crucial, **do not** skip. Without this step, the whole process is not applicable.","metadata":{}},{"cell_type":"code","source":"import os\n\nbase = \"/kaggle/working/nvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11\" # Change path to current path where the nvhpc folder is\n\nos.environ[\"PATH\"] = base + \"/compilers/bin:\" + os.environ[\"PATH\"]\nos.environ[\"LD_LIBRARY_PATH\"] = base + \"/compilers/lib:\" + os.environ.get(\"LD_LIBRARY_PATH\", \"\")\nprint(\"Environment set.\")\n!nvfortran --version\nprint(\" \")\nprint(\"Check for error\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T07:50:53.093982Z","iopub.execute_input":"2026-07-30T07:50:53.094390Z","iopub.status.idle":"2026-07-30T07:50:55.275873Z","shell.execute_reply.started":"2026-07-30T07:50:53.094347Z","shell.execute_reply":"2026-07-30T07:50:55.275058Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Environment set.\n\nnvfortran 24.11-0 64-bit target on Linux -tp skylake-avx512 \nNVIDIA Compilers and Tools\nCopyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.\n\nnvfortran 24.11-0 64-bit target on x86-64 Linux -tp skylake-avx512 \nNVIDIA Compilers and Tools\nCopyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.\n \nCheck for error\n","output_type":"stream"}],"execution_count":4},{"cell_type":"markdown","source":"## 4. Set config ","metadata":{}},{"cell_type":"markdown","source":"Ensure to not tinker with the config unless **absolutely needed**. **Do not modify.**","metadata":{}},{"cell_type":"code","source":"%cd /kaggle/working/q-e-qe-7.5 \n# Change path as per need\n!export LIBXC_LIBS=\"-L/usr/lib/x86_64-linux-gnu -lxc -lxcf03\"\n!export LIBXC_CFLAGS=\"-I/usr/include\"\n!./configure \\\n FC=nvfortran \\\n F90=nvfortran \\\n F77=nvfortran \\\n MPIF90=nvfortran \\\n CC=nvc \\\n CXX=nvc++ \\\n LD=nvfortran \\\n --with-cuda=yes \\\n --with-cuda-runtime=12.6 \\\n --with-cuda-cc=60 \\\n --with-scalapack=no","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T07:50:55.277933Z","iopub.execute_input":"2026-07-30T07:50:55.278232Z","iopub.status.idle":"2026-07-30T07:51:04.403588Z","shell.execute_reply.started":"2026-07-30T07:50:55.278203Z","shell.execute_reply":"2026-07-30T07:51:04.402876Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"/kaggle/working/q-e-qe-7.5\ndirectory KCW/PP : okk ok okkokCI : ok\nall dependencies updated successfully\nRunning configure as ./install/configure FC=nvfortran F90=nvfortran F77=nvfortran MPIF90=nvfortran CC=nvc CXX=nvc++ LD=nvfortran --with-cuda=yes --with-cuda-runtime=12.6 --with-cuda-cc=60 --with-scalapack=no\nconfigure: WARNING: you should use --build, --host, --target\nchecking build system type... x86_64-pc-linux-gnu\nchecking ARCH... x86_64\nchecking setting AR... ... ar\nchecking setting ARFLAGS... ... ruv\nchecking whether the Fortran compiler works... yes\nchecking for Fortran compiler default output file name... a.out\nchecking for suffix of executables... \nchecking whether we are cross compiling... no\nchecking for suffix of object files... o\nchecking whether we are using the GNU Fortran compiler... no\nchecking whether nvfortran accepts -g... yes\nchecking for Fortran flag to compile .f90 files... none\nchecking for nvfortran... nvfortran\nchecking whether we are using the GNU Fortran compiler... no\nchecking whether nvfortran accepts -g... yes\nchecking version of nvfortran... nvfortran 24.11-0\nconfigure: WARNING: Check whether user-supplied F90 is consistent with MPIF90 !!! \nsetting F90... nvfortran\nsetting MPIF90... nvfortran\nchecking whether we are using the GNU C compiler... yes\nchecking whether nvc accepts -g... yes\nchecking for nvc option to accept ISO C89... none needed\nsetting CC... nvc\nsetting CFLAGS... -O3\nusing F90... nvfortran\nsetting FFLAGS... -fast\nsetting F90FLAGS... -fast -Mcache_align -Mpreprocess -Mlarge_arrays\nsetting FFLAGS_NOOPT... -O0\nsetting FFLAGS_NOMAIN... -Mnomain\nsetting CPP... cpp\nsetting CPPFLAGS... -P -traditional -Uvector\nsetting LD... nvfortran\nsetting LDFLAGS...\nchecking whether Fortran compiler accepts -cuda -gpu=cuda12.6... yes\nchecking whether make sets $(MAKE)... yes\nchecking whether Fortran files must be preprocessed... no\nchecking for library containing dgemm... -lmkl_intel_lp64\nsetting BLAS_LIBS... -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nchecking FFT... \nchecking MASS... \nchecking for library containing mpi_init... no\nchecking ELPA... \nchecking for Environ... not used\nchecking if legacy plugins are enabled ... no\nchecking for ranlib... ranlib\nchecking for wget... wget -O\nsetting WGET... wget -O\nchecking for git... git\nsetting DFLAGS... -D__PGI -D__CUDA -D__DFTI\nsetting IFLAGS... -I. -I$(TOPDIR)/include -I/opt/intel/mkl/include\nconfigure: creating ./config.status\nconfig.status: creating install/make_lapack.inc\nconfig.status: creating include/configure.h\nconfig.status: creating make.inc\nconfig.status: creating configure.msg\nconfig.status: creating install/make_wannier90.inc\n--------------------------------------------------------------------\nESPRESSO can take advantage of several optimized numerical libraries\n(essl, fftw, mkl...). This configure script attempts to find them,\nbut may fail if they have been installed in non-standard locations.\nIf a required library is not found, the local copy will be compiled.\n\nThe following libraries have been found:\n BLAS_LIBS= -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\n LAPACK_LIBS=\n FFT_LIBS=\n \n \n\nPlease check if this is what you expect.\n\nIf any libraries are missing, you may specify a list of directories\nto search and retry, as follows:\n ./configure LIBDIRS=\"list of directories, separated by spaces\"\n\nParallel environment not detected \\(is this a parallel machine?\\).\\\nConfigured for compilation of serial executables.\n\nFor more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).\n--------------------------------------------------------------------\nconfigure: success\n","output_type":"stream"}],"execution_count":5},{"cell_type":"markdown","source":"If final output shows configure: success, continue. Otherwise, search for documentation or use AI to help troubleshoot.","metadata":{}},{"cell_type":"code","source":"from pathlib import Path\nimport re\n\npath = Path(\"/kaggle/working/q-e-qe-7.5/make.inc\")\ntext = path.read_text()\n\nnew_lines = []\nfor line in text.splitlines():\n if line.strip().startswith(\"DFLAGS\"):\n line = re.sub(r\"-D__DFTI\\b\", \"\", line)\n line = re.sub(r\"-D__FFTW3\\b\", \"\", line)\n line = re.sub(r\"-D__FFTW\\b\", \"\", line)\n line = line.rstrip() + \" -D__FFTW\"\n new_lines.append(line)\n\npath.write_text(\"\\n\".join(new_lines) + \"\\n\")\n\nprint(\"Updated DFLAGS:\")\nfor line in new_lines:\n if line.strip().startswith(\"DFLAGS\"):\n print(line)","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T07:51:04.404828Z","iopub.execute_input":"2026-07-30T07:51:04.405040Z","iopub.status.idle":"2026-07-30T07:51:04.413588Z","shell.execute_reply.started":"2026-07-30T07:51:04.405017Z","shell.execute_reply":"2026-07-30T07:51:04.412967Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Updated DFLAGS:\nDFLAGS = -D__PGI -D__CUDA -D__FFTW\n","output_type":"stream"}],"execution_count":6},{"cell_type":"markdown","source":"## 5. Compile and Run","metadata":{}},{"cell_type":"markdown","source":"The below code may take a few minutes to run. **Do not** interrupt execution. In case of errors saying certain parts are not there/broken, remove the comment on the cell below the given one. Then run the below cell and re-comment.","metadata":{}},{"cell_type":"code","source":"!cd /kaggle/working/q-e-qe-7.5/bin\n!make pw -j4 2>&1\n#!make cp -j4 2>&1","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T07:51:04.414455Z","iopub.execute_input":"2026-07-30T07:51:04.414811Z","iopub.status.idle":"2026-07-30T07:57:40.917583Z","shell.execute_reply.started":"2026-07-30T07:51:04.414788Z","shell.execute_reply":"2026-07-30T07:57:40.916724Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"/bin/bash: line 1: cd: /kaggle/working/q-e-qe-7.5/bin: No such file or directory\ntest -d bin || mkdir bin\n( cd UtilXlib ; make TLDEPS= all || exit 1 )\ncd install ; make -f extlibs_makefile libcuda\n( cd FFTXlib ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/install'\ncd install ; make -f extlibs_makefile libmbd\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/UtilXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c parallel_include.f90 -o parallel_include.o\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/FFTXlib'\n( cd src ; make all || exit 1 )\ninitializing external/devxlib submodule ...\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/install'\ninitializing external/mbd submodule ...\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/FFTXlib/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_param.f90 -o fft_param.o\n\u001b[33mhint: Using 'master' as the name for the initial branch. This default branch name\u001b[m\n\u001b[33mhint: Using 'master' as the name for the initial branch. This default branch name\u001b[m\n\u001b[33mhint: is subject to change. To configure the initial branch name to use in all\u001b[m\n\u001b[33mhint: is subject to change. To configure the initial branch name to use in all\u001b[m\n\u001b[33mhint: of your new repositories, which will suppress this warning, call:\u001b[m\n\u001b[33mhint: of your new repositories, which will suppress this warning, call:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit config --global init.defaultBranch \u001b[m\n\u001b[33mhint: \tgit config --global init.defaultBranch \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: Names commonly chosen instead of 'master' are 'main', 'trunk' and\u001b[m\n\u001b[33mhint: Names commonly chosen instead of 'master' are 'main', 'trunk' and\u001b[m\n\u001b[33mhint: 'development'. The just-created branch can be renamed via this command:\u001b[m\n\u001b[33mhint: 'development'. The just-created branch can be renamed via this command:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit branch -m \u001b[m\n\u001b[33mhint: \tgit branch -m \u001b[m\nInitialized empty Git repository in /kaggle/working/q-e-qe-7.5/external/mbd/.git/\nInitialized empty Git repository in /kaggle/working/q-e-qe-7.5/external/devxlib/.git/\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c nvtx_wrapper.f90 -o nvtx_wrapper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fftw_interfaces.f90 -o fftw_interfaces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.FFTW3.f90 -o fft_scalar.FFTW3.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.FFTW3.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.SX6.f90 -o fft_scalar.SX6.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.SX6.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.cuFFT.f90 -o fft_scalar.cuFFT.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c cptimer.c\nremote: Enumerating objects: 84, done.\u001b[K\nremote: Counting objects: 100% (84/84), done.\u001b[K\nremote: Compressing objects: 100% (82/82), done.\u001b[K\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c copy.c\nremote: Total 84 (delta 3), reused 19 (delta 0), pack-reused 0 (from 0)\u001b[K\nUnpacking objects: 100% (84/84), 112.48 KiB | 828.00 KiB/s, done.\nFrom https://github.com/libmbd/libmbd\n * branch 89a3cc199c0a200c9f0f688c3229ef6b9a8d63bd -> FETCH_HEAD\nSwitched to a new branch 'recorded_HEAD'\nif test ! -d ../MBD; then \\\n mkdir ../MBD; \\\n cd /kaggle/working/q-e-qe-7.5//external/mbd/src; \\\nexport FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include \"; \\\nmake -f ../../mbd.make; cp *.mod *.a /kaggle/working/q-e-qe-7.5//MBD; cd ../../.. ;fi\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c c_mkdir.c\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/external/mbd/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_constants.f90\nsed -e 's/@PROJECT_VERSION_MAJOR@/0/' mbd_version.f90.in > mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_MINOR@/13/' mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_PATCH@/0/' mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_SUFFIX@/0/' mbd_version.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_gradients.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c device_helper.f90 -o device_helper.o\nremote: Enumerating objects: 117, done.\u001b[K\nremote: Counting objects: 100% (117/117), done.\u001b[K\nremote: Compressing objects: 100% (104/104), done.\u001b[K\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_defaults.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_linalg.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_smallbox.f90 -o fft_smallbox.o\nremote: Total 117 (delta 16), reused 68 (delta 8), pack-reused 0 (from 0)\u001b[K\nReceiving objects: 100% (117/117), 5.07 MiB | 12.92 MiB/s, done.\nResolving deltas: 100% (16/16), done.\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_version.f90\nFrom https://gitlab.com/max-centre/components/devicexlib\n * branch a6b89ef77b1ceda48e967921f1f5488d2df9226d -> FETCH_HEAD\nSwitched to a new branch 'recorded_HEAD'\ncd /kaggle/working/q-e-qe-7.5//external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.5//make.inc ../; \\\nmake all; \\\ntouch /kaggle/working/q-e-qe-7.5//install/libcuda_devxlib # do not download and configure again\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/external/devxlib/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_auxfunc_mod.f90 -o device_auxfunc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_utils.F90\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_auxfunc_mod.f90: 13)\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_fbuff.f90 -o device_fbuff.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw_sp.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_damping.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_formulas.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_lapack.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_vdw_param.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_matrix.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_geom.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_dipole.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_memcpy_mod.f90 -o device_memcpy_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_memcpy_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_memcpy.f90 -o device_memcpy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_ts.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c eval_infix.c\n\u001b[01m\u001b[0m\u001b[01m\"eval_infix.c\", line 431\u001b[0m: \u001b[01;35mwarning\u001b[0m: statement is unreachable [code_is_unreachable]\n return EOL;\n ^\n\n\u001b[01;36m\u001b[0m\u001b[01;36mRemark\u001b[0m: individual warnings can be suppressed with \"--diag_suppress \"\n\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_coulomb.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c find_free_unit.f90 -o find_free_unit.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fletcher32.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c md5.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c md5_from_file.c\n\u001b[01m\u001b[0m\u001b[01m\"md5_from_file.c\", line 79\u001b[0m: \u001b[01;35mwarning\u001b[0m: parameter \u001b[01m\"err\"\u001b[0m was set but never used [set_but_not_used]\n void get_md5(const char *file, char *md5, int err)\n ^\n\n\u001b[01;36m\u001b[0m\u001b[01;36mRemark\u001b[0m: individual warnings can be suppressed with \"--diag_suppress \"\n\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c memstat.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c memusage.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c mem_counter.f90 -o mem_counter.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c ptrace.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c util_param.f90 -o util_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c clib_wrappers.f90 -o clib_wrappers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_density.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c clocks_handler.f90 -o clocks_handler.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_hamiltonian.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_rpa.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c mp.f90 -o mp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_scs.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_methods.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw_dp.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd.F90\nar -r libmbd.a mbd.o mbd_constants.o mbd_coulomb.o mbd_damping.o mbd_defaults.o mbd_density.o mbd_dipole.o mbd_formulas.o mbd_geom.o mbd_gradients.o mbd_hamiltonian.o mbd_lapack.o mbd_linalg.o mbd_matrix.o mbd_methods.o mbd_rpa.o mbd_scs.o mbd_ts.o mbd_utils.o mbd_version.o mbd_vdw_param.o\nar: creating libmbd.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/external/mbd/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/install'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_auxfunc.f90 -o device_auxfunc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c data_buffer.f90 -o data_buffer.o\n( cd XClib ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/XClib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xclib_utils_and_para.f90 -o xclib_utils_and_para.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_kind.f90 -o qe_kind.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c fletcher32_mod.f90 -o fletcher32_mod.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c pbecor.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c mp_base.f90 -o mp_base.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c beefun.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c mp_base_gpu.f90 -o mp_base_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xclib_error.f90 -o xclib_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_constants.f90 -o qe_constants.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c dft_setting_params.f90 -o dft_setting_params.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_funct_corr_lda_lsda.f90 -o qe_funct_corr_lda_lsda.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c timer.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c timer_mod.f90 -o timer_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_fbuff_mod.f90 -o device_fbuff_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_fbuff_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c deviceXlib_mod.f90 -o deviceXlib_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (deviceXlib_mod.f90: 13)\nar ruv libdevXlib.a deviceXlib_mod.o device_memcpy.o device_memcpy_mod.o device_auxfunc.o device_auxfunc_mod.o device_fbuff.o device_fbuff_mod.o timer.o timer_mod.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdevXlib.a\na - deviceXlib_mod.o\na - device_memcpy.o\na - device_memcpy_mod.o\na - device_auxfunc.o\na - device_auxfunc_mod.o\na - device_fbuff.o\na - device_fbuff_mod.o\na - timer.o\na - timer_mod.o\nranlib libdevXlib.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/external/devxlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/install'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_error.f90 -o fft_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c print_mem.f90 -o print_mem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_funct_exch_lda_lsda.f90 -o qe_funct_exch_lda_lsda.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fft_stick.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_funct_corr_gga.f90 -o qe_funct_corr_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c thread_util.f90 -o thread_util.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_support.f90 -o fft_support.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c stick_base.f90 -o stick_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c divide.f90 -o divide.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_funct_exch_gga.f90 -o qe_funct_exch_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.DFTI.f90 -o fft_scalar.DFTI.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_beef_interface.f90 -o xc_beef_interface.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.ESSL.f90 -o fft_scalar.ESSL.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c error_handler.f90 -o error_handler.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.ESSL.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.FFTW.f90 -o fft_scalar.FFTW.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c mp_bands_util.f90 -o mp_bands_util.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_drivers_lda_lsda.f90 -o qe_drivers_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_types.f90 -o fft_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c export_gstart_2_solvers.f90 -o export_gstart_2_solvers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c set_mpi_comm_4_solvers.f90 -o set_mpi_comm_4_solvers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_dft_list.f90 -o qe_dft_list.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_funct_mgga.f90 -o qe_funct_mgga.o\nar ruv libutil.a clib_wrappers.o clocks_handler.o cptimer.o copy.o c_mkdir.o device_helper.o divide.o data_buffer.o eval_infix.o error_handler.o export_gstart_2_solvers.o find_free_unit.o fletcher32_mod.o fletcher32.o md5.o md5_from_file.o memstat.o memusage.o mem_counter.o mp.o mp_base.o mp_base_gpu.o mp_bands_util.o parallel_include.o print_mem.o ptrace.o set_mpi_comm_4_solvers.o util_param.o thread_util.o nvtx_wrapper.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libutil.a\na - clib_wrappers.o\na - clocks_handler.o\na - cptimer.o\na - copy.o\na - c_mkdir.o\na - device_helper.o\na - divide.o\na - data_buffer.o\na - eval_infix.o\na - error_handler.o\na - export_gstart_2_solvers.o\na - find_free_unit.o\na - fletcher32_mod.o\na - fletcher32.o\na - md5.o\na - md5_from_file.o\na - memstat.o\na - memusage.o\na - mem_counter.o\na - mp.o\na - mp_base.o\na - mp_base_gpu.o\na - mp_bands_util.o\na - parallel_include.o\na - print_mem.o\na - ptrace.o\na - set_mpi_comm_4_solvers.o\na - util_param.o\na - thread_util.o\na - nvtx_wrapper.o\nranlib libutil.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/UtilXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_drivers_d_lda_lsda.f90 -o qe_drivers_d_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.f90 -o fft_scalar.o\n( cd LAXlib ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/LAXlib'\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib.h -o laxlib.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib_hi.h -o laxlib_hi.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib_kinds.h -o laxlib_kinds.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib_low.h -o laxlib_low.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib_mid.h -o laxlib_mid.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib_param.h -o laxlib_param.fh\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_wrapper_lda_lsda.f90 -o xc_wrapper_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c la_types.f90 -o la_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c la_param.f90 -o la_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c la_module.f90 -o la_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c dspev_drv.f90 -o dspev_drv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c scatter_mod.f90 -o scatter_mod.o\n( cd upflib ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/upflib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_kinds.f90 -o upf_kinds.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_io.f90 -o upf_io.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_params.f90 -o upf_params.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scatter_2d.f90 -o fft_scatter_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mp_diag.f90 -o mp_diag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_utils.f90 -o upf_utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c dft_setting_routines.f90 -o dft_setting_routines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c zhpev_drv.f90 -o zhpev_drv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_invmat.f90 -o upf_invmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_buffers.f90 -o fft_buffers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c paw_variables.f90 -o paw_variables.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atomic_number.f90 -o atomic_number.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dylmr2.f90 -o dylmr2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_drivers_gga.f90 -o qe_drivers_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c splinelib.f90 -o splinelib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scatter_2d_gpu.f90 -o fft_scatter_2d_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c rdiaghg.f90 -o rdiaghg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c xmltools.f90 -o xmltools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_ggen.f90 -o fft_ggen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_drivers_mgga.f90 -o qe_drivers_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c ptoolkit.f90 -o ptoolkit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c spinor.f90 -o spinor.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_wrapper_d_lda_lsda.f90 -o xc_wrapper_d_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c sph_ind.f90 -o sph_ind.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c simpsn.f90 -o simpsn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scatter.f90 -o fft_scatter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_wrapper_gga.f90 -o xc_wrapper_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_parallel_include.f90 -o upf_parallel_include.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c ylmr2_gpu.f90 -o ylmr2_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_wrapper_mgga.f90 -o xc_wrapper_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_parallel_2d.f90 -o fft_parallel_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_lib.f90 -o xc_lib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_drivers_d_gga.f90 -o qe_drivers_d_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dom.f90 -o dom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_smallbox_type.f90 -o fft_smallbox_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c wxml.f90 -o wxml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_wrapper_d_gga.f90 -o xc_wrapper_d_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_const.f90 -o upf_const.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c pseudo_types.f90 -o pseudo_types.o\nar ruv xc_lib.a xclib_utils_and_para.o xclib_error.o qe_kind.o qe_constants.o dft_setting_params.o dft_setting_routines.o qe_dft_list.o qe_funct_corr_lda_lsda.o qe_funct_exch_lda_lsda.o qe_funct_corr_gga.o qe_funct_exch_gga.o qe_funct_mgga.o xc_beef_interface.o qe_drivers_lda_lsda.o qe_drivers_d_lda_lsda.o qe_drivers_gga.o qe_drivers_d_gga.o qe_drivers_mgga.o xc_wrapper_d_gga.o xc_wrapper_d_lda_lsda.o xc_wrapper_gga.o xc_wrapper_lda_lsda.o xc_wrapper_mgga.o xc_lib.o pbecor.o beefun.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating xc_lib.a\na - xclib_utils_and_para.o\na - xclib_error.o\na - qe_kind.o\na - qe_constants.o\na - dft_setting_params.o\na - dft_setting_routines.o\na - qe_dft_list.o\na - qe_funct_corr_lda_lsda.o\na - qe_funct_exch_lda_lsda.o\na - qe_funct_corr_gga.o\na - qe_funct_exch_gga.o\na - qe_funct_mgga.o\na - xc_beef_interface.o\na - qe_drivers_lda_lsda.o\na - qe_drivers_d_lda_lsda.o\na - qe_drivers_gga.o\na - qe_drivers_d_gga.o\na - qe_drivers_mgga.o\na - xc_wrapper_d_gga.o\na - xc_wrapper_d_lda_lsda.o\na - xc_wrapper_gga.o\na - xc_wrapper_lda_lsda.o\na - xc_wrapper_mgga.o\na - xc_lib.o\na - pbecor.o\na - beefun.o\nranlib xc_lib.a\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/XClib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c transto.f90 -o transto.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c tg_gather.f90 -o tg_gather.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c sph_bes.f90 -o sph_bes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_auxtools.f90 -o upf_auxtools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_error.f90 -o upf_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_helper_subroutines.f90 -o fft_helper_subroutines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c write_upf_new.f90 -o write_upf_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c distools.f90 -o distools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c ylmr2.f90 -o ylmr2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scatter_gpu.f90 -o fft_scatter_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c la_error.f90 -o la_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c la_helper.f90 -o la_helper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c casino_pp.f90 -o casino_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c cdiaghg.f90 -o cdiaghg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_interfaces.f90 -o fft_interfaces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_parallel.f90 -o fft_parallel.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c radial_grids.f90 -o radial_grids.o\nar ruv libqela.a la_types.o la_error.o la_module.o la_helper.o cdiaghg.o rdiaghg.o dspev_drv.o ptoolkit.o transto.o distools.o zhpev_drv.o mp_diag.o la_param.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqela.a\na - la_types.o\na - la_error.o\na - la_module.o\na - la_helper.o\na - cdiaghg.o\na - rdiaghg.o\na - dspev_drv.o\na - ptoolkit.o\na - transto.o\na - distools.o\na - zhpev_drv.o\na - mp_diag.o\na - la_param.o\nranlib libqela.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/LAXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_interpolate.f90 -o fft_interpolate.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c uspp_param.f90 -o uspp_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gth.f90 -o gth.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_spinorb.f90 -o upf_spinorb.o\n( cd KS_Solvers ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers'\nMakefile:80: warning: overriding recipe for target 'librmm'\nMakefile:72: warning: ignoring old recipe for target 'librmm'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/Davidson_RCI'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c david_rci.f90 -o david_rci.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_cpmd.f90 -o read_cpmd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_fhi.f90 -o read_fhi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_fwinv.f90 -o fft_fwinv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_ncpp.f90 -o read_ncpp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_psml.f90 -o read_psml.o\nar ruv libdavid_rci.a david_rci.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdavid_rci.a\na - david_rci.o\nranlib libdavid_rci.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/Davidson'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c cegterg.f90 -o cegterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c regterg.f90 -o regterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_upf_new.f90 -o read_upf_new.o\nar ruv libqefft.a scatter_mod.o fft_scatter_2d.o fft_scatter_gpu.o fft_scatter_2d_gpu.o fft_ggen.o fft_fwinv.o fft_scalar.o fft_scalar.DFTI.o fft_scalar.ESSL.o fft_scalar.FFTW.o fft_scatter.o fft_scalar.cuFFT.o fftw_interfaces.o fft_scalar.FFTW3.o fft_scalar.SX6.o fft_parallel.o fft_parallel_2d.o fft_interfaces.o fft_interpolate.o stick_base.o fftw.o fftw_sp.o fftw_dp.o fft_smallbox.o fft_smallbox_type.o fft_support.o fft_error.o fft_stick.o fft_types.o tg_gather.o fft_helper_subroutines.o fft_param.o fft_buffers.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqefft.a\na - scatter_mod.o\na - fft_scatter_2d.o\na - fft_scatter_gpu.o\na - fft_scatter_2d_gpu.o\na - fft_ggen.o\na - fft_fwinv.o\na - fft_scalar.o\na - fft_scalar.DFTI.o\na - fft_scalar.ESSL.o\na - fft_scalar.FFTW.o\na - fft_scatter.o\na - fft_scalar.cuFFT.o\na - fftw_interfaces.o\na - fft_scalar.FFTW3.o\na - fft_scalar.SX6.o\na - fft_parallel.o\na - fft_parallel_2d.o\na - fft_interfaces.o\na - fft_interpolate.o\na - stick_base.o\na - fftw.o\na - fftw_sp.o\na - fftw_dp.o\na - fft_smallbox.o\na - fft_smallbox_type.o\na - fft_support.o\na - fft_error.o\na - fft_stick.o\na - fft_types.o\na - tg_gather.o\na - fft_helper_subroutines.o\na - fft_param.o\na - fft_buffers.o\nranlib libqefft.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/FFTXlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/FFTXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c cegterg_gpu.f90 -o cegterg_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_upf_v1.f90 -o read_upf_v1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_uspp.f90 -o read_uspp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_ions.f90 -o upf_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_to_internal.f90 -o upf_to_internal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c regterg_gpu.f90 -o regterg_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c virtual_v2.f90 -o virtual_v2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upfconv.f90 -o upfconv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c casino2upf.f90 -o casino2upf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atom.f90 -o atom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c uspp.f90 -o uspp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_0.f90 -o init_us_0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_b0.f90 -o init_us_b0.o\nar ruv libdavid.a cegterg.o regterg.o cegterg_gpu.o regterg_gpu.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdavid.a\na - cegterg.o\na - regterg.o\na - cegterg_gpu.o\na - regterg_gpu.o\nranlib libdavid.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/Davidson'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/CG'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c ccgdiagg.f90 -o ccgdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_ps.f90 -o read_ps.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atwfc_mod.f90 -o atwfc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c rcgdiagg.f90 -o rcgdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c beta_mod.f90 -o beta_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c qrad_mod.f90 -o qrad_mod.o\nar ruv libcg.a ccgdiagg.o rcgdiagg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libcg.a\na - ccgdiagg.o\na - rcgdiagg.o\nranlib libcg.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/CG'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/ParO'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_gamma.f90 -o paro_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_gamma_new.f90 -o paro_gamma_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c rhoat_mod.f90 -o rhoat_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_k.f90 -o paro_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c rhoc_mod.f90 -o rhoc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_k_new.f90 -o paro_k_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcg_gamma.f90 -o pcg_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcg_k.f90 -o pcg_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c vloc_mod.f90 -o vloc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c qvan2.f90 -o qvan2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dqvan2.f90 -o dqvan2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c bpcg_gamma.f90 -o bpcg_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gen_us_dj.f90 -o gen_us_dj.o\nNVFORTRAN-W-0155-Constant or Parameter used in data clause - maxter (bpcg_gamma.f90: 304)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c bpcg_k.f90 -o bpcg_k.o\n 0 inform, 1 warnings, 0 severes, 0 fatal for bpcg_gamma\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gen_us_dy.f90 -o gen_us_dy.o\nNVFORTRAN-W-0155-Constant or Parameter used in data clause - maxter (bpcg_k.f90: 300)\n 0 inform, 1 warnings, 0 severes, 0 fatal for bpcg_k\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_1.f90 -o init_us_1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_2_acc.f90 -o init_us_2_acc.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o virtual_v2.x virtual_v2.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o upfconv.x upfconv.o casino_pp.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o casino2upf.x casino2upf.o casino_pp.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nar ruv libparo.a paro_gamma.o paro_gamma_new.o paro_k.o paro_k_new.o pcg_gamma.o pcg_k.o bpcg_gamma.o bpcg_k.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libparo.a\na - paro_gamma.o\na - paro_gamma_new.o\na - paro_k.o\na - paro_k_new.o\na - pcg_gamma.o\na - pcg_k.o\na - bpcg_gamma.o\na - bpcg_k.o\nranlib libparo.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/RMM'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../PPCG -I ../../UtilXlib -I. -c crmmdiagg.f90 -o crmmdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../PPCG -I ../../UtilXlib -I. -c rrmmdiagg.f90 -o rrmmdiagg.o\nar ruv libupf.a atwfc_mod.o beta_mod.o qrad_mod.o rhoat_mod.o rhoc_mod.o vloc_mod.o qvan2.o dqvan2.o gen_us_dj.o gen_us_dy.o init_us_0.o init_us_b0.o init_us_1.o init_us_2_acc.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libupf.a\na - atwfc_mod.o\na - beta_mod.o\na - qrad_mod.o\na - rhoat_mod.o\na - rhoc_mod.o\na - vloc_mod.o\na - qvan2.o\na - dqvan2.o\na - gen_us_dj.o\na - gen_us_dy.o\na - init_us_0.o\na - init_us_b0.o\na - init_us_1.o\na - init_us_2_acc.o\na - atom.o\na - atomic_number.o\na - dylmr2.o\na - gth.o\na - paw_variables.o\na - pseudo_types.o\na - radial_grids.o\na - read_cpmd.o\na - read_fhi.o\na - read_ncpp.o\na - read_ps.o\na - read_psml.o\na - read_upf_new.o\na - read_upf_v1.o\na - read_uspp.o\na - spinor.o\na - sph_ind.o\na - sph_bes.o\na - splinelib.o\na - simpsn.o\na - upf_auxtools.o\na - upf_const.o\na - upf_error.o\na - upf_invmat.o\na - upf_io.o\na - upf_ions.o\na - upf_kinds.o\na - upf_params.o\na - upf_parallel_include.o\na - upf_spinorb.o\na - upf_to_internal.o\na - upf_utils.o\na - uspp.o\na - uspp_param.o\na - write_upf_new.o\na - xmltools.o\na - ylmr2.o\na - ylmr2_gpu.o\na - dom.o\na - wxml.o\nranlib libupf.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/upflib'\n( cd Modules ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/Modules'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c kind.f90 -o kind.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c parameters.f90 -o parameters.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c io_global.f90 -o io_global.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_bands.f90 -o mp_bands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c noncol.f90 -o noncol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c bspline.f90 -o bspline.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fft_base.f90 -o fft_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c coulomb_vcut.f90 -o coulomb_vcut.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c environ_api_stub.f90 -o environ_api_stub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_pools.f90 -o mp_pools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qeh5_module.f90 -o qeh5_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c version.f90 -o version.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fsockets.f90 -o fsockets.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c lmdif.f90 -o lmdif.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c plugin_flags.f90 -o plugin_flags.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mdiis.f90 -o mdiis.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_wave.f90 -o mp_wave.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c open_close_input_file.f90 -o open_close_input_file.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c plugin_arguments.f90 -o plugin_arguments.o\nar ruv librmm.a crmmdiagg.o rrmmdiagg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating librmm.a\na - crmmdiagg.o\na - rrmmdiagg.o\nranlib librmm.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/DENSE'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_HSpsi_gamma.f90 -o rotate_HSpsi_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_HSpsi_k.f90 -o rotate_HSpsi_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_wfc_gamma.f90 -o rotate_wfc_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c plugin_variables.f90 -o plugin_variables.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wypos.f90 -o wypos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_wfc_k.f90 -o rotate_wfc_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c run_info.f90 -o run_info.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_driver.f90 -o rotate_driver.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c space_group.f90 -o space_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c set_vdw_corr.f90 -o set_vdw_corr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_xpsi_k.f90 -o rotate_xpsi_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_types_module.f90 -o qes_types_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c setqf.f90 -o setqf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c timestep.f90 -o timestep.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_bcast_module.f90 -o qes_bcast_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_xpsi_gamma.f90 -o rotate_xpsi_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c gram_schmidt_gamma.f90 -o gram_schmidt_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c gram_schmidt_k.f90 -o gram_schmidt_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_init_module.f90 -o qes_init_module.o\nar ruv libdense.a rotate_HSpsi_gamma.o rotate_HSpsi_k.o rotate_wfc_gamma.o rotate_wfc_k.o rotate_driver.o rotate_xpsi_k.o rotate_xpsi_gamma.o gram_schmidt_gamma.o gram_schmidt_k.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdense.a\na - rotate_HSpsi_gamma.o\na - rotate_HSpsi_k.o\na - rotate_wfc_gamma.o\na - rotate_wfc_k.o\na - rotate_driver.o\na - rotate_xpsi_k.o\na - rotate_xpsi_gamma.o\na - gram_schmidt_gamma.o\na - gram_schmidt_k.o\nranlib libdense.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/DENSE'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nar ruv libks_solvers.a Davidson_RCI/david_rci.o Davidson/cegterg.o Davidson/regterg.o CG/ccgdiagg.o CG/rcgdiagg.o ParO/bpcg_gamma.o ParO/bpcg_k.o ParO/paro_gamma.o ParO/pcg_gamma.o ParO/paro_k.o ParO/pcg_k.o ParO/paro_gamma_new.o ParO/paro_k_new.o DENSE/rotate_HSpsi_gamma.o DENSE/rotate_HSpsi_k.o DENSE/rotate_wfc_gamma.o DENSE/rotate_wfc_k.o DENSE/rotate_driver.o DENSE/gram_schmidt_gamma.o DENSE/gram_schmidt_k.o DENSE/rotate_xpsi_gamma.o DENSE/rotate_xpsi_k.o RMM/crmmdiagg.o RMM/rrmmdiagg.o Davidson/cegterg_gpu.o Davidson/regterg_gpu.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libks_solvers.a\na - Davidson_RCI/david_rci.o\na - Davidson/cegterg.o\na - Davidson/regterg.o\na - CG/ccgdiagg.o\na - CG/rcgdiagg.o\na - ParO/bpcg_gamma.o\na - ParO/bpcg_k.o\na - ParO/paro_gamma.o\na - ParO/pcg_gamma.o\na - ParO/paro_k.o\na - ParO/pcg_k.o\na - ParO/paro_gamma_new.o\na - ParO/paro_k_new.o\na - DENSE/rotate_HSpsi_gamma.o\na - DENSE/rotate_HSpsi_k.o\na - DENSE/rotate_wfc_gamma.o\na - DENSE/rotate_wfc_k.o\na - DENSE/rotate_driver.o\na - DENSE/gram_schmidt_gamma.o\na - DENSE/gram_schmidt_k.o\na - DENSE/rotate_xpsi_gamma.o\na - DENSE/rotate_xpsi_k.o\na - RMM/crmmdiagg.o\na - RMM/rrmmdiagg.o\na - Davidson/cegterg_gpu.o\na - Davidson/regterg_gpu.o\nranlib libks_solvers.a\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include ks_solver_interfaces.h -o ks_solver_interfaces.fh\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_read_module.f90 -o qes_read_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_reset_module.f90 -o qes_reset_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_write_module.f90 -o qes_write_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c molecule_types.f90 -o molecule_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wyckoff.f90 -o wyckoff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c zvscal.f90 -o zvscal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wave_gauge.f90 -o wave_gauge.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c atom_weight.f90 -o atom_weight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c capital.f90 -o capital.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c cryst_to_car.f90 -o cryst_to_car.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c expint.f90 -o expint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c generate_k_along_lines.f90 -o generate_k_along_lines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c has_xml.f90 -o has_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c inpfile.f90 -o inpfile.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c int_to_char.f90 -o int_to_char.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c linpack.f90 -o linpack.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c matches.f90 -o matches.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c plot_io.f90 -o plot_io.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c radial_gradients.f90 -o radial_gradients.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c rgen.f90 -o rgen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c recips.f90 -o recips.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c remove_tot_torque.f90 -o remove_tot_torque.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c sort.f90 -o sort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c trimcheck.f90 -o trimcheck.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c test_input_file.f90 -o test_input_file.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c date_and_tim.f90 -o date_and_tim.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c volume.f90 -o volume.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c deviatoric.f90 -o deviatoric.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c customize_signals.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c qmmm_aux.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c sockets.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_rism.f90 -o mp_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c err_rism.f90 -o err_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvmol.f90 -o solvmol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c cryst_to_car_2d.f90 -o cryst_to_car_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c lj_forcefield.f90 -o lj_forcefield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_swap_ax_rism.f90 -o mp_swap_ax_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c plot_rism.f90 -o plot_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c rms_residual.f90 -o rms_residual.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c constants.f90 -o constants.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c control_flags.f90 -o control_flags.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c invmat.f90 -o invmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wannier_new.f90 -o wannier_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_images.f90 -o mp_images.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c recvec.f90 -o recvec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_world.f90 -o mp_world.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c random_numbers.f90 -o random_numbers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c cell_nose.f90 -o cell_nose.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c basic_algebra_routines.f90 -o basic_algebra_routines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c io_files.f90 -o io_files.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c bz_form.f90 -o bz_form.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c set_signal.f90 -o set_signal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c command_line_options.f90 -o command_line_options.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c electrons_base.f90 -o electrons_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fox_init_module.f90 -o fox_init_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fft_rho.f90 -o fft_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fft_wave.f90 -o fft_wave.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c gvecw.f90 -o gvecw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_exx.f90 -o mp_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_global.f90 -o mp_global.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c printout_base.f90 -o printout_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c pw_dot.f90 -o pw_dot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c recvec_subs.f90 -o recvec_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c set_para_diag.f90 -o set_para_diag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c copy_order_um_from_xml.f90 -o copy_order_um_from_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wavefunctions.f90 -o wavefunctions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c ws_base.f90 -o ws_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c io_base.f90 -o io_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_libs_module.f90 -o qes_libs_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qexsd_input.f90 -o qexsd_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qexsd_copy.f90 -o qexsd_copy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c hdf5_qe.f90 -o hdf5_qe.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c xsf.f90 -o xsf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c random_numbers_gpu.f90 -o random_numbers_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c latgen.f90 -o latgen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wgauss.f90 -o wgauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c w0gauss.f90 -o w0gauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c w1gauss.f90 -o w1gauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c lauefft.f90 -o lauefft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c radfft.f90 -o radfft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c molecule_const.f90 -o molecule_const.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c suscept_g0.f90 -o suscept_g0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c cell_base.f90 -o cell_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c input_parameters.f90 -o input_parameters.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c parser.f90 -o parser.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c ions_base.f90 -o ions_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c becmod.f90 -o becmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c bfgs_module.f90 -o bfgs_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c check_stop.f90 -o check_stop.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c compute_dipole.f90 -o compute_dipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c environment.f90 -o environment.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c extffield.f90 -o extffield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fd_gradient.f90 -o fd_gradient.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c xc_rVV10.f90 -o xc_rVV10.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c xc_vdW_DF.f90 -o xc_vdW_DF.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c generate_function.f90 -o generate_function.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c gradutils.f90 -o gradutils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c makov_payne.f90 -o makov_payne.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mm_dispersion.f90 -o mm_dispersion.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_namelists.f90 -o read_namelists.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c tsvdw.f90 -o tsvdw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wannier_gw.f90 -o wannier_gw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qexsd_init.f90 -o qexsd_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c recvec_3drism.f90 -o recvec_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c xml_io_rism.f90 -o xml_io_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_mol.f90 -o read_mol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c lauefft_subs.f90 -o lauefft_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvavg.f90 -o solvavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c scale_fft_3drism.f90 -o scale_fft_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c scale_fft_lauerism.f90 -o scale_fft_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c additional_kpoints.f90 -o additional_kpoints.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c atomic_wfc_mod.f90 -o atomic_wfc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c autopilot.f90 -o autopilot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c ions_nose.f90 -o ions_nose.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c constraints_module.f90 -o constraints_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c dist.f90 -o dist.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c environ_base_module.f90 -o environ_base_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c funct.f90 -o funct.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_cards.f90 -o read_cards.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c allocate_fft_3drism.f90 -o allocate_fft_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c rism.f90 -o rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c data_structure_3drism.f90 -o data_structure_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_solv.f90 -o read_solv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qmmm.f90 -o qmmm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_pseudo.f90 -o read_pseudo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mbdlib.f90 -o mbdlib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qexsd.f90 -o qexsd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c chempot.f90 -o chempot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c chempot_lauerism.f90 -o chempot_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c closure.f90 -o closure.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c corrdipole_laue.f90 -o corrdipole_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c correctat0_vv.f90 -o correctat0_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c corrgxy0_laue.f90 -o corrgxy0_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c do_1drism.f90 -o do_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c do_3drism.f90 -o do_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c do_lauerism.f90 -o do_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c eqn_1drism.f90 -o eqn_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c eqn_3drism.f90 -o eqn_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c eqn_lauedipole.f90 -o eqn_lauedipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c eqn_lauegxy0.f90 -o eqn_lauegxy0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c eqn_lauelong.f90 -o eqn_lauelong.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c eqn_lauerism.f90 -o eqn_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c eqn_laueshort.f90 -o eqn_laueshort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c eqn_lauevoid.f90 -o eqn_lauevoid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c guess_3drism.f90 -o guess_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c init_1drism.f90 -o init_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c io_rism_xml.f90 -o io_rism_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solute.f90 -o solute.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c molecorr_vv.f90 -o molecorr_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c molebridge_vv.f90 -o molebridge_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c normalize_lauerism.f90 -o normalize_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c potential_3drism.f90 -o potential_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c potential_esm.f90 -o potential_esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c potential_vv.f90 -o potential_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c print_chempot_3drism.f90 -o print_chempot_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c print_chempot_lauerism.f90 -o print_chempot_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c print_chempot_vv.f90 -o print_chempot_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c print_corr_vv.f90 -o print_corr_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvation_3drism.f90 -o solvation_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvation_force.f90 -o solvation_force.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvation_lauerism.f90 -o solvation_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvation_pbc.f90 -o solvation_pbc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvation_stress.f90 -o solvation_stress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c suscept_laue.f90 -o suscept_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c suscept_laueint.f90 -o suscept_laueint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c suscept_vv.f90 -o suscept_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c write_rism_type.f90 -o write_rism_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_input.f90 -o read_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c rism1d_facade.f90 -o rism1d_facade.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c rism3d_facade.f90 -o rism3d_facade.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c lj_solute.f90 -o lj_solute.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c init_3drism.f90 -o init_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c input_1drism.f90 -o input_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c print_solvavg.f90 -o print_solvavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c summary_1drism.f90 -o summary_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c input_3drism.f90 -o input_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvation_esm.f90 -o solvation_esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c summary_3drism.f90 -o summary_3drism.o\nar ruv libqemod.a additional_kpoints.o atomic_wfc_mod.o autopilot.o ions_nose.o cell_nose.o basic_algebra_routines.o becmod.o bfgs_module.o bspline.o bz_form.o cell_base.o check_stop.o command_line_options.o compute_dipole.o constants.o constraints_module.o control_flags.o coulomb_vcut.o dist.o electrons_base.o environ_base_module.o environment.o extffield.o fd_gradient.o fft_base.o fft_rho.o fft_wave.o fsockets.o funct.o generate_function.o gradutils.o gvecw.o input_parameters.o invmat.o io_files.o io_global.o ions_base.o kind.o lmdif.o makov_payne.o mdiis.o mm_dispersion.o mp_bands.o mp_exx.o mp_global.o mp_images.o mp_pools.o mp_wave.o mp_world.o noncol.o open_close_input_file.o parameters.o parser.o plugin_flags.o plugin_arguments.o plugin_variables.o printout_base.o pw_dot.o qmmm.o random_numbers.o read_cards.o read_input.o read_namelists.o read_pseudo.o recvec.o recvec_subs.o run_info.o space_group.o set_para_diag.o set_signal.o set_vdw_corr.o copy_order_um_from_xml.o setqf.o timestep.o tsvdw.o mbdlib.o version.o wannier_gw.o wannier_new.o wavefunctions.o ws_base.o xc_vdW_DF.o xc_rVV10.o io_base.o qes_types_module.o qes_libs_module.o qes_write_module.o qes_read_module.o qes_reset_module.o qes_init_module.o qes_bcast_module.o qexsd.o qexsd_copy.o qexsd_init.o qexsd_input.o hdf5_qe.o qeh5_module.o fox_init_module.o xsf.o wyckoff.o wypos.o zvscal.o wave_gauge.o random_numbers_gpu.o atom_weight.o capital.o cryst_to_car.o expint.o generate_k_along_lines.o has_xml.o inpfile.o int_to_char.o latgen.o linpack.o matches.o plot_io.o radial_gradients.o rgen.o recips.o remove_tot_torque.o sort.o trimcheck.o test_input_file.o date_and_tim.o volume.o wgauss.o w0gauss.o w1gauss.o deviatoric.o customize_signals.o qmmm_aux.o sockets.o allocate_fft_3drism.o chempot.o chempot_lauerism.o closure.o corrdipole_laue.o correctat0_vv.o corrgxy0_laue.o cryst_to_car_2d.o data_structure_3drism.o do_1drism.o do_3drism.o do_lauerism.o eqn_1drism.o eqn_3drism.o eqn_lauedipole.o eqn_lauegxy0.o eqn_lauelong.o eqn_lauerism.o eqn_laueshort.o eqn_lauevoid.o err_rism.o guess_3drism.o init_1drism.o init_3drism.o input_1drism.o input_3drism.o io_rism_xml.o lauefft.o lauefft_subs.o lj_forcefield.o lj_solute.o molecorr_vv.o molebridge_vv.o molecule_const.o molecule_types.o mp_rism.o mp_swap_ax_rism.o normalize_lauerism.o plot_rism.o potential_3drism.o potential_esm.o potential_vv.o print_chempot_3drism.o print_chempot_lauerism.o print_chempot_vv.o print_corr_vv.o print_solvavg.o radfft.o read_mol.o read_solv.o recvec_3drism.o rism.o rism1d_facade.o rism3d_facade.o rms_residual.o scale_fft_3drism.o scale_fft_lauerism.o solute.o solvation_3drism.o solvation_esm.o solvation_force.o solvation_lauerism.o solvation_pbc.o solvation_stress.o solvavg.o solvmol.o summary_1drism.o summary_3drism.o suscept_g0.o suscept_laue.o suscept_laueint.o suscept_vv.o write_rism_type.o xml_io_rism.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqemod.a\na - additional_kpoints.o\na - atomic_wfc_mod.o\na - autopilot.o\na - ions_nose.o\na - cell_nose.o\na - basic_algebra_routines.o\na - becmod.o\na - bfgs_module.o\na - bspline.o\na - bz_form.o\na - cell_base.o\na - check_stop.o\na - command_line_options.o\na - compute_dipole.o\na - constants.o\na - constraints_module.o\na - control_flags.o\na - coulomb_vcut.o\na - dist.o\na - electrons_base.o\na - environ_base_module.o\na - environment.o\na - extffield.o\na - fd_gradient.o\na - fft_base.o\na - fft_rho.o\na - fft_wave.o\na - fsockets.o\na - funct.o\na - generate_function.o\na - gradutils.o\na - gvecw.o\na - input_parameters.o\na - invmat.o\na - io_files.o\na - io_global.o\na - ions_base.o\na - kind.o\na - lmdif.o\na - makov_payne.o\na - mdiis.o\na - mm_dispersion.o\na - mp_bands.o\na - mp_exx.o\na - mp_global.o\na - mp_images.o\na - mp_pools.o\na - mp_wave.o\na - mp_world.o\na - noncol.o\na - open_close_input_file.o\na - parameters.o\na - parser.o\na - plugin_flags.o\na - plugin_arguments.o\na - plugin_variables.o\na - printout_base.o\na - pw_dot.o\na - qmmm.o\na - random_numbers.o\na - read_cards.o\na - read_input.o\na - read_namelists.o\na - read_pseudo.o\na - recvec.o\na - recvec_subs.o\na - run_info.o\na - space_group.o\na - set_para_diag.o\na - set_signal.o\na - set_vdw_corr.o\na - copy_order_um_from_xml.o\na - setqf.o\na - timestep.o\na - tsvdw.o\na - mbdlib.o\na - version.o\na - wannier_gw.o\na - wannier_new.o\na - wavefunctions.o\na - ws_base.o\na - xc_vdW_DF.o\na - xc_rVV10.o\na - io_base.o\na - qes_types_module.o\na - qes_libs_module.o\na - qes_write_module.o\na - qes_read_module.o\na - qes_reset_module.o\na - qes_init_module.o\na - qes_bcast_module.o\na - qexsd.o\na - qexsd_copy.o\na - qexsd_init.o\na - qexsd_input.o\na - hdf5_qe.o\na - qeh5_module.o\na - fox_init_module.o\na - xsf.o\na - wyckoff.o\na - wypos.o\na - zvscal.o\na - wave_gauge.o\na - random_numbers_gpu.o\na - atom_weight.o\na - capital.o\na - cryst_to_car.o\na - expint.o\na - generate_k_along_lines.o\na - has_xml.o\na - inpfile.o\na - int_to_char.o\na - latgen.o\na - linpack.o\na - matches.o\na - plot_io.o\na - radial_gradients.o\na - rgen.o\na - recips.o\na - remove_tot_torque.o\na - sort.o\na - trimcheck.o\na - test_input_file.o\na - date_and_tim.o\na - volume.o\na - wgauss.o\na - w0gauss.o\na - w1gauss.o\na - deviatoric.o\na - customize_signals.o\na - qmmm_aux.o\na - sockets.o\na - allocate_fft_3drism.o\na - chempot.o\na - chempot_lauerism.o\na - closure.o\na - corrdipole_laue.o\na - correctat0_vv.o\na - corrgxy0_laue.o\na - cryst_to_car_2d.o\na - data_structure_3drism.o\na - do_1drism.o\na - do_3drism.o\na - do_lauerism.o\na - eqn_1drism.o\na - eqn_3drism.o\na - eqn_lauedipole.o\na - eqn_lauegxy0.o\na - eqn_lauelong.o\na - eqn_lauerism.o\na - eqn_laueshort.o\na - eqn_lauevoid.o\na - err_rism.o\na - guess_3drism.o\na - init_1drism.o\na - init_3drism.o\na - input_1drism.o\na - input_3drism.o\na - io_rism_xml.o\na - lauefft.o\na - lauefft_subs.o\na - lj_forcefield.o\na - lj_solute.o\na - molecorr_vv.o\na - molebridge_vv.o\na - molecule_const.o\na - molecule_types.o\na - mp_rism.o\na - mp_swap_ax_rism.o\na - normalize_lauerism.o\na - plot_rism.o\na - potential_3drism.o\na - potential_esm.o\na - potential_vv.o\na - print_chempot_3drism.o\na - print_chempot_lauerism.o\na - print_chempot_vv.o\na - print_corr_vv.o\na - print_solvavg.o\na - radfft.o\na - read_mol.o\na - read_solv.o\na - recvec_3drism.o\na - rism.o\na - rism1d_facade.o\na - rism3d_facade.o\na - rms_residual.o\na - scale_fft_3drism.o\na - scale_fft_lauerism.o\na - solute.o\na - solvation_3drism.o\na - solvation_esm.o\na - solvation_force.o\na - solvation_lauerism.o\na - solvation_pbc.o\na - solvation_stress.o\na - solvavg.o\na - solvmol.o\na - summary_1drism.o\na - summary_3drism.o\na - suscept_g0.o\na - suscept_laue.o\na - suscept_laueint.o\na - suscept_vv.o\na - write_rism_type.o\na - xml_io_rism.o\nranlib libqemod.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/Modules'\n( cd dft-d3 ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/dft-d3'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c common.f90 -o common.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c sizes.f90 -o sizes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c pars.f90 -o pars.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c core.f90 -o core.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c api.f90 -o api.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c dftd3_qe.f90 -o dftd3_qe.o\nar ruv libdftd3qe.a common.o sizes.o pars.o core.o api.o dftd3_qe.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdftd3qe.a\na - common.o\na - sizes.o\na - pars.o\na - core.o\na - api.o\na - dftd3_qe.o\nranlib libdftd3qe.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/dft-d3'\nif test -d PW ; then \\\n( cd PW ; make pw-lib || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/PW/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c pwcom.f90 -o pwcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c start_k.f90 -o start_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c symm_base.f90 -o symm_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c extfield.f90 -o extfield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_enums.f90 -o oscdft_enums.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_indices.f90 -o oscdft_indices.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c buffers.f90 -o buffers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c atomic_wfc_mod.f90 -o atomic_wfc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c init_us_2.f90 -o init_us_2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c paw_onecenter.f90 -o paw_onecenter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c allocate_locpot.f90 -o allocate_locpot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c allocate_wfc.f90 -o allocate_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c starting_scf_mod.f90 -o starting_scf_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c atomic_wfc.f90 -o atomic_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c acfdt_in_pw.f90 -o acfdt_in_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c bp_mod.f90 -o bp_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c bp_strings.f90 -o bp_strings.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c g_psi_mod.f90 -o g_psi_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c exx_base.f90 -o exx_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c dynamics_module.f90 -o dynamics_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c fcp_dynamics.f90 -o fcp_dynamics.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c fcp_relaxation.f90 -o fcp_relaxation.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c c_phase_field.f90 -o c_phase_field.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c cdiagh.f90 -o cdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c Coul_cut_2D.f90 -o Coul_cut_2D.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c exx_band.f90 -o exx_band.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c paw_symmetry.f90 -o paw_symmetry.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c symme.f90 -o symme.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c tetra.f90 -o tetra.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c compute_deff.f90 -o compute_deff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c compute_dip.f90 -o compute_dip.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c compute_rho.f90 -o compute_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c compute_qdipol.f90 -o compute_qdipol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c compute_qdipol_so.f90 -o compute_qdipol_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c compute_ux.f90 -o compute_ux.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c coset.f90 -o coset.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c d_matrix.f90 -o d_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c divide_class.f90 -o divide_class.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c divide_class_so.f90 -o divide_class_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c divide_et_impera.f90 -o divide_et_impera.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c rotate_wfc.f90 -o rotate_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c efermig.f90 -o efermig.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c efermit.f90 -o efermit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c environ_io_stub.f90 -o environ_io_stub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c two_chem.f90 -o two_chem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c eqvect.f90 -o eqvect.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c martyna_tuckerman.f90 -o martyna_tuckerman.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c ewald_dipole.f90 -o ewald_dipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c fcp_dyn_calcavg.f90 -o fcp_dyn_calcavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c fcp_dyn_printavg.f90 -o fcp_dyn_printavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c fcp_hessian.f90 -o fcp_hessian.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c find_group.f90 -o find_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c forces_bp_efield.f90 -o forces_bp_efield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c force_ew.f90 -o force_ew.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c g_psi.f90 -o g_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c gen_at_dj.f90 -o gen_at_dj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c gen_at_dy.f90 -o gen_at_dy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c get_locals.f90 -o get_locals.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c gk_sort.f90 -o gk_sort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c gradcorr.f90 -o gradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c gweights.f90 -o gweights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c g2_kin.f90 -o g2_kin.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c hs_psi.f90 -o hs_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c h_epsi_her_apply.f90 -o h_epsi_her_apply.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c h_epsi_her_set.f90 -o h_epsi_her_set.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c irrek.f90 -o irrek.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c iweights.f90 -o iweights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c kpoint_grid.f90 -o kpoint_grid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c lchk_tauxk.f90 -o lchk_tauxk.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c make_pointlists.f90 -o make_pointlists.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c manypw.f90 -o manypw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c multable.f90 -o multable.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c n_plane_waves.f90 -o n_plane_waves.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c new_occ.f90 -o new_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c orthoatwfc.f90 -o orthoatwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c output_tau.f90 -o output_tau.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c para.f90 -o para.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_print_energies.f90 -o plugin_print_energies.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_init_ions.f90 -o plugin_init_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_init_cell.f90 -o plugin_init_cell.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_init_potential.f90 -o plugin_init_potential.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_initbase.f90 -o plugin_initbase.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_clean.f90 -o plugin_clean.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_check.f90 -o plugin_check.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_clock.f90 -o plugin_clock.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_summary.f90 -o plugin_summary.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_initialization.f90 -o plugin_initialization.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_ext_forces.f90 -o plugin_ext_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_int_forces.f90 -o plugin_int_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_read_input.f90 -o plugin_read_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c pw_init_qexsd_input.f90 -o pw_init_qexsd_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c pw2blip.f90 -o pw2blip.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c pw2casino.f90 -o pw2casino.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c rdiagh.f90 -o rdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c read_conf_from_file.f90 -o read_conf_from_file.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c rho2zeta.f90 -o rho2zeta.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c ruotaijk.f90 -o ruotaijk.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c save_in_cbands.f90 -o save_in_cbands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c set_kplusq.f90 -o set_kplusq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c set_kup_and_kdw.f90 -o set_kup_and_kdw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c set_occupations.f90 -o set_occupations.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c set_spin_vars.f90 -o set_spin_vars.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c set_vrs.f90 -o set_vrs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stop_run.f90 -o stop_run.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_ewa.f90 -o stres_ewa.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_knl.f90 -o stres_knl.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_us.f90 -o stres_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_nonloc_dft.f90 -o stres_nonloc_dft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c struct_fact.f90 -o struct_fact.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c sumkg.f90 -o sumkg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c sumkt.f90 -o sumkt.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c symmetrize_at.f90 -o symmetrize_at.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c transform_becsum_so.f90 -o transform_becsum_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c transform_becsum_nc.f90 -o transform_becsum_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c trnvecc.f90 -o trnvecc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c vcsmd.f90 -o vcsmd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c vcsubs.f90 -o vcsubs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c vloc_psi_tg.f90 -o vloc_psi_tg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c vloc_psi_acc.f90 -o vloc_psi_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c utils.f90 -o utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c wsweight.f90 -o wsweight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c ortho_wfc.f90 -o ortho_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c wannier_init.f90 -o wannier_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c wannier_check.f90 -o wannier_check.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c wannier_occ.f90 -o wannier_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c d3hess_mod.f90 -o d3hess_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c rotate_wfc_gpu.f90 -o rotate_wfc_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c hs_psi_gpu.f90 -o hs_psi_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c utils_gpu.f90 -o utils_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c a2fmod.f90 -o a2fmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_bfield.f90 -o add_bfield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_efield.f90 -o add_efield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_dmft_occ.f90 -o add_dmft_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_vuspsi.f90 -o add_vuspsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_vuspsi_acc.f90 -o add_vuspsi_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_gatefield.f90 -o add_gatefield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_paw_to_deeq.f90 -o add_paw_to_deeq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_paw_to_deeq_acc.f90 -o add_paw_to_deeq_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_wavefunction.f90 -o oscdft_wavefunction.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_input.f90 -o oscdft_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c atomic_rho.f90 -o atomic_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c bp_c_phase.f90 -o bp_c_phase.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c esm_common_mod.f90 -o esm_common_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c paw_exx.f90 -o paw_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c ewald.f90 -o ewald.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c force_us.f90 -o force_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c print_ks_energies.f90 -o print_ks_energies.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c save_in_electrons.f90 -o save_in_electrons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_forces.f90 -o oscdft_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c esm_ewald_mod.f90 -o esm_ewald_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c esm_force_mod.f90 -o esm_force_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c esm_hartree_mod.f90 -o esm_hartree_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c esm_local_mod.f90 -o esm_local_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c esm_stres_mod.f90 -o esm_stres_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_context.f90 -o oscdft_context.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_base.f90 -o oscdft_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_wavefunction_subs.f90 -o oscdft_wavefunction_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_occupations.f90 -o oscdft_occupations.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_wfcO.f90 -o oscdft_wfcO.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_functions_gpu.f90 -o oscdft_functions_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_functions.f90 -o oscdft_functions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_forces_subs.f90 -o oscdft_forces_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c restart_in_electrons.f90 -o restart_in_electrons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c ldaU.f90 -o ldaU.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c scf_mod.f90 -o scf_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c average_pp.f90 -o average_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c close_files.f90 -o close_files.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c commutator_Hx_psi.f90 -o commutator_Hx_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c hubbard.f90 -o hubbard.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c init_q_aeps.f90 -o init_q_aeps.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c intersite_V.f90 -o intersite_V.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c init_nsg.f90 -o init_nsg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c nsg_adj.f90 -o nsg_adj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c new_ns.f90 -o new_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c new_nsb.f90 -o new_nsb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c new_nsg.f90 -o new_nsg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c offset_atom_wfc.f90 -o offset_atom_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c openfil.f90 -o openfil.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c orthoUwfc.f90 -o orthoUwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plus_u_full.f90 -o plus_u_full.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c wannier_clean.f90 -o wannier_clean.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_extended.f90 -o oscdft_extended.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c esm.f90 -o esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c rism_module.f90 -o rism_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c fcp_capacitance.f90 -o fcp_capacitance.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c force_lc.f90 -o force_lc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c h_psi_meta.f90 -o h_psi_meta.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c init_ns.f90 -o init_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c init_vloc.f90 -o init_vloc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c ns_adj.f90 -o ns_adj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_scf_energy.f90 -o plugin_scf_energy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_scf_potential.f90 -o plugin_scf_potential.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c remove_atomic_rho.f90 -o remove_atomic_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c report_mag.f90 -o report_mag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c set_rhoc.f90 -o set_rhoc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_cc.f90 -o stres_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_gradcorr.f90 -o stres_gradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_har.f90 -o stres_har.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_hub.f90 -o stres_hub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_loc.f90 -o stres_loc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_mgga.f90 -o stres_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c usnldiag.f90 -o usnldiag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c vhpsi.f90 -o vhpsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c write_ns.f90 -o write_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c vhpsi_gpu.f90 -o vhpsi_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_vhub_to_deeq.f90 -o add_vhub_to_deeq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_vhub_to_deeq_acc.f90 -o add_vhub_to_deeq_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c realus.f90 -o realus.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c allocate_fft.f90 -o allocate_fft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c beef.f90 -o beef.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c fcp_module.f90 -o fcp_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c sic.f90 -o sic.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c orbm_kubo.f90 -o orbm_kubo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c paw_init.f90 -o paw_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c xdm_dispersion.f90 -o xdm_dispersion.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c commutator_Vhubx_psi.f90 -o commutator_Vhubx_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c update_pot.f90 -o update_pot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c io_rho_xml.f90 -o io_rho_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c fcp_input.f90 -o fcp_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c force_cc.f90 -o force_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c force_corr.f90 -o force_corr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c force_hub.f90 -o force_hub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_qexsd_step.f90 -o add_qexsd_step.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c s_1psi.f90 -o s_1psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c s_psi.f90 -o s_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c s_psi_acc.f90 -o s_psi_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c v_of_rho.f90 -o v_of_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c hs_1psi_gpu.f90 -o hs_1psi_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c s_1psi_gpu.f90 -o s_1psi_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c addusdens.f90 -o addusdens.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c addusforce.f90 -o addusforce.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c addusstress.f90 -o addusstress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c newd_acc.f90 -o newd_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c gcscf_module.f90 -o gcscf_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c scissor.f90 -o scissor.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c us_exx.f90 -o us_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c data_structure.f90 -o data_structure.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c run_driver.f90 -o run_driver.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c environ_pw_module.f90 -o environ_pw_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c gcscf_input.f90 -o gcscf_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c hs_1psi.f90 -o hs_1psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c hinit0.f90 -o hinit0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c hinit1.f90 -o hinit1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c init_run.f90 -o init_run.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c mix_rho.f90 -o mix_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c move_ions.f90 -o move_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c potinit.f90 -o potinit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c print_clock_pw.f90 -o print_clock_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c setlocal.f90 -o setlocal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c sum_band.f90 -o sum_band.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c weights.f90 -o weights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c c_bands.f90 -o c_bands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c exx.f90 -o exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c compute_becsum.f90 -o compute_becsum.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c forces.f90 -o forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c clean_pw.f90 -o clean_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c loc_scdm.f90 -o loc_scdm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c h_psi.f90 -o h_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c memory_report.f90 -o memory_report.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c non_scf.f90 -o non_scf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c pw_restart_new.f90 -o pw_restart_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c pw2casino_write.f90 -o pw2casino_write.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c run_pwscf.f90 -o run_pwscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c scale_h.f90 -o scale_h.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c setup.f90 -o setup.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stress.f90 -o stress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c summary.f90 -o summary.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c h_psi_gpu.f90 -o h_psi_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c loc_scdm_k.f90 -o loc_scdm_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c input.f90 -o input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c punch.f90 -o punch.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c read_file_new.f90 -o read_file_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c wfcinit.f90 -o wfcinit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c electrons.f90 -o electrons.o\nar ruv libpw.a a2fmod.o add_bfield.o add_efield.o add_dmft_occ.o add_vuspsi.o add_vuspsi_acc.o add_gatefield.o add_paw_to_deeq.o add_paw_to_deeq_acc.o add_vhub_to_deeq.o add_vhub_to_deeq_acc.o addusdens.o addusforce.o addusstress.o allocate_fft.o allocate_locpot.o allocate_wfc.o atomic_rho.o atomic_wfc.o atomic_wfc_mod.o average_pp.o acfdt_in_pw.o newd_acc.o beef.o bp_mod.o bp_c_phase.o bp_strings.o buffers.o c_bands.o c_phase_field.o orbm_kubo.o cdiagh.o clean_pw.o close_files.o commutator_Hx_psi.o commutator_Vhubx_psi.o compute_becsum.o compute_deff.o compute_dip.o compute_rho.o compute_qdipol.o compute_qdipol_so.o compute_ux.o coset.o Coul_cut_2D.o d_matrix.o data_structure.o divide_class.o divide_class_so.o divide_et_impera.o rotate_wfc.o run_driver.o dynamics_module.o efermig.o efermit.o electrons.o environ_pw_module.o eqvect.o esm.o esm_common_mod.o esm_ewald_mod.o esm_force_mod.o esm_hartree_mod.o esm_local_mod.o esm_stres_mod.o ewald.o ewald_dipole.o extfield.o exx_base.o exx_band.o exx.o fcp_capacitance.o fcp_dyn_calcavg.o fcp_dyn_printavg.o fcp_dynamics.o fcp_hessian.o fcp_input.o fcp_module.o fcp_relaxation.o find_group.o forces_bp_efield.o force_cc.o force_corr.o force_ew.o force_hub.o force_lc.o force_us.o forces.o g_psi.o g_psi_mod.o gcscf_input.o gcscf_module.o gen_at_dj.o gen_at_dy.o get_locals.o gk_sort.o gradcorr.o gweights.o g2_kin.o hs_psi.o hs_1psi.o h_epsi_her_apply.o h_epsi_her_set.o h_psi.o h_psi_meta.o hinit0.o hinit1.o hubbard.o init_ns.o init_q_aeps.o init_run.o init_us_2.o init_vloc.o input.o io_rho_xml.o irrek.o iweights.o intersite_V.o init_nsg.o nsg_adj.o start_k.o kpoint_grid.o lchk_tauxk.o ldaU.o make_pointlists.o manypw.o martyna_tuckerman.o memory_report.o mix_rho.o move_ions.o multable.o n_plane_waves.o new_ns.o new_nsb.o new_nsg.o new_occ.o ns_adj.o non_scf.o offset_atom_wfc.o openfil.o orthoatwfc.o orthoUwfc.o output_tau.o para.o paw_exx.o paw_init.o paw_onecenter.o paw_symmetry.o plugin_print_energies.o plugin_scf_energy.o plugin_scf_potential.o plugin_init_ions.o plugin_init_cell.o plugin_init_potential.o plugin_initbase.o plugin_clean.o plugin_check.o plugin_clock.o plugin_summary.o plugin_initialization.o plugin_ext_forces.o plugin_int_forces.o plugin_read_input.o plus_u_full.o potinit.o print_clock_pw.o print_ks_energies.o punch.o pw_restart_new.o add_qexsd_step.o pw_init_qexsd_input.o pwcom.o pw2blip.o pw2casino.o pw2casino_write.o rdiagh.o read_conf_from_file.o read_file_new.o realus.o remove_atomic_rho.o report_mag.o restart_in_electrons.o rho2zeta.o rism_module.o ruotaijk.o run_pwscf.o s_1psi.o s_psi.o s_psi_acc.o save_in_cbands.o save_in_electrons.o scale_h.o loc_scdm.o loc_scdm_k.o scf_mod.o set_kplusq.o set_kup_and_kdw.o set_occupations.o set_rhoc.o set_spin_vars.o set_vrs.o setlocal.o setup.o scissor.o sic.o starting_scf_mod.o stop_run.o stres_cc.o stres_ewa.o stres_gradcorr.o stres_har.o stres_hub.o stres_knl.o stres_loc.o stres_us.o stres_nonloc_dft.o stres_mgga.o stress.o struct_fact.o sum_band.o sumkg.o sumkt.o summary.o symme.o symm_base.o symmetrize_at.o tetra.o transform_becsum_so.o transform_becsum_nc.o trnvecc.o two_chem.o update_pot.o us_exx.o usnldiag.o v_of_rho.o vcsmd.o vcsubs.o vhpsi.o vloc_psi_tg.o vloc_psi_acc.o utils.o xdm_dispersion.o wfcinit.o write_ns.o wsweight.o weights.o ortho_wfc.o wannier_init.o wannier_check.o wannier_clean.o wannier_occ.o oscdft_input.o oscdft_context.o oscdft_base.o oscdft_enums.o oscdft_indices.o oscdft_wavefunction.o oscdft_wavefunction_subs.o oscdft_functions.o oscdft_occupations.o oscdft_wfcO.o oscdft_forces.o oscdft_forces_subs.o oscdft_extended.o d3hess_mod.o h_psi_gpu.o vhpsi_gpu.o rotate_wfc_gpu.o hs_1psi_gpu.o hs_psi_gpu.o s_1psi_gpu.o utils_gpu.o oscdft_functions_gpu.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libpw.a\na - a2fmod.o\na - add_bfield.o\na - add_efield.o\na - add_dmft_occ.o\na - add_vuspsi.o\na - add_vuspsi_acc.o\na - add_gatefield.o\na - add_paw_to_deeq.o\na - add_paw_to_deeq_acc.o\na - add_vhub_to_deeq.o\na - add_vhub_to_deeq_acc.o\na - addusdens.o\na - addusforce.o\na - addusstress.o\na - allocate_fft.o\na - allocate_locpot.o\na - allocate_wfc.o\na - atomic_rho.o\na - atomic_wfc.o\na - atomic_wfc_mod.o\na - average_pp.o\na - acfdt_in_pw.o\na - newd_acc.o\na - beef.o\na - bp_mod.o\na - bp_c_phase.o\na - bp_strings.o\na - buffers.o\na - c_bands.o\na - c_phase_field.o\na - orbm_kubo.o\na - cdiagh.o\na - clean_pw.o\na - close_files.o\na - commutator_Hx_psi.o\na - commutator_Vhubx_psi.o\na - compute_becsum.o\na - compute_deff.o\na - compute_dip.o\na - compute_rho.o\na - compute_qdipol.o\na - compute_qdipol_so.o\na - compute_ux.o\na - coset.o\na - Coul_cut_2D.o\na - d_matrix.o\na - data_structure.o\na - divide_class.o\na - divide_class_so.o\na - divide_et_impera.o\na - rotate_wfc.o\na - run_driver.o\na - dynamics_module.o\na - efermig.o\na - efermit.o\na - electrons.o\na - environ_pw_module.o\na - eqvect.o\na - esm.o\na - esm_common_mod.o\na - esm_ewald_mod.o\na - esm_force_mod.o\na - esm_hartree_mod.o\na - esm_local_mod.o\na - esm_stres_mod.o\na - ewald.o\na - ewald_dipole.o\na - extfield.o\na - exx_base.o\na - exx_band.o\na - exx.o\na - fcp_capacitance.o\na - fcp_dyn_calcavg.o\na - fcp_dyn_printavg.o\na - fcp_dynamics.o\na - fcp_hessian.o\na - fcp_input.o\na - fcp_module.o\na - fcp_relaxation.o\na - find_group.o\na - forces_bp_efield.o\na - force_cc.o\na - force_corr.o\na - force_ew.o\na - force_hub.o\na - force_lc.o\na - force_us.o\na - forces.o\na - g_psi.o\na - g_psi_mod.o\na - gcscf_input.o\na - gcscf_module.o\na - gen_at_dj.o\na - gen_at_dy.o\na - get_locals.o\na - gk_sort.o\na - gradcorr.o\na - gweights.o\na - g2_kin.o\na - hs_psi.o\na - hs_1psi.o\na - h_epsi_her_apply.o\na - h_epsi_her_set.o\na - h_psi.o\na - h_psi_meta.o\na - hinit0.o\na - hinit1.o\na - hubbard.o\na - init_ns.o\na - init_q_aeps.o\na - init_run.o\na - init_us_2.o\na - init_vloc.o\na - input.o\na - io_rho_xml.o\na - irrek.o\na - iweights.o\na - intersite_V.o\na - init_nsg.o\na - nsg_adj.o\na - start_k.o\na - kpoint_grid.o\na - lchk_tauxk.o\na - ldaU.o\na - make_pointlists.o\na - manypw.o\na - martyna_tuckerman.o\na - memory_report.o\na - mix_rho.o\na - move_ions.o\na - multable.o\na - n_plane_waves.o\na - new_ns.o\na - new_nsb.o\na - new_nsg.o\na - new_occ.o\na - ns_adj.o\na - non_scf.o\na - offset_atom_wfc.o\na - openfil.o\na - orthoatwfc.o\na - orthoUwfc.o\na - output_tau.o\na - para.o\na - paw_exx.o\na - paw_init.o\na - paw_onecenter.o\na - paw_symmetry.o\na - plugin_print_energies.o\na - plugin_scf_energy.o\na - plugin_scf_potential.o\na - plugin_init_ions.o\na - plugin_init_cell.o\na - plugin_init_potential.o\na - plugin_initbase.o\na - plugin_clean.o\na - plugin_check.o\na - plugin_clock.o\na - plugin_summary.o\na - plugin_initialization.o\na - plugin_ext_forces.o\na - plugin_int_forces.o\na - plugin_read_input.o\na - plus_u_full.o\na - potinit.o\na - print_clock_pw.o\na - print_ks_energies.o\na - punch.o\na - pw_restart_new.o\na - add_qexsd_step.o\na - pw_init_qexsd_input.o\na - pwcom.o\na - pw2blip.o\na - pw2casino.o\na - pw2casino_write.o\na - rdiagh.o\na - read_conf_from_file.o\na - read_file_new.o\na - realus.o\na - remove_atomic_rho.o\na - report_mag.o\na - restart_in_electrons.o\na - rho2zeta.o\na - rism_module.o\na - ruotaijk.o\na - run_pwscf.o\na - s_1psi.o\na - s_psi.o\na - s_psi_acc.o\na - save_in_cbands.o\na - save_in_electrons.o\na - scale_h.o\na - loc_scdm.o\na - loc_scdm_k.o\na - scf_mod.o\na - set_kplusq.o\na - set_kup_and_kdw.o\na - set_occupations.o\na - set_rhoc.o\na - set_spin_vars.o\na - set_vrs.o\na - setlocal.o\na - setup.o\na - scissor.o\na - sic.o\na - starting_scf_mod.o\na - stop_run.o\na - stres_cc.o\na - stres_ewa.o\na - stres_gradcorr.o\na - stres_har.o\na - stres_hub.o\na - stres_knl.o\na - stres_loc.o\na - stres_us.o\na - stres_nonloc_dft.o\na - stres_mgga.o\na - stress.o\na - struct_fact.o\na - sum_band.o\na - sumkg.o\na - sumkt.o\na - summary.o\na - symme.o\na - symm_base.o\na - symmetrize_at.o\na - tetra.o\na - transform_becsum_so.o\na - transform_becsum_nc.o\na - trnvecc.o\na - two_chem.o\na - update_pot.o\na - us_exx.o\na - usnldiag.o\na - v_of_rho.o\na - vcsmd.o\na - vcsubs.o\na - vhpsi.o\na - vloc_psi_tg.o\na - vloc_psi_acc.o\na - utils.o\na - xdm_dispersion.o\na - wfcinit.o\na - write_ns.o\na - wsweight.o\na - weights.o\na - ortho_wfc.o\na - wannier_init.o\na - wannier_check.o\na - wannier_clean.o\na - wannier_occ.o\na - oscdft_input.o\na - oscdft_context.o\na - oscdft_base.o\na - oscdft_enums.o\na - oscdft_indices.o\na - oscdft_wavefunction.o\na - oscdft_wavefunction_subs.o\na - oscdft_functions.o\na - oscdft_occupations.o\na - oscdft_wfcO.o\na - oscdft_forces.o\na - oscdft_forces_subs.o\na - oscdft_extended.o\na - d3hess_mod.o\na - h_psi_gpu.o\na - vhpsi_gpu.o\na - rotate_wfc_gpu.o\na - hs_1psi_gpu.o\na - hs_psi_gpu.o\na - s_1psi_gpu.o\na - utils_gpu.o\na - oscdft_functions_gpu.o\nranlib libpw.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/PW/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/PW'\nif test -d PW ; then \\\n( cd PW ; make TLDEPS= all || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/PW'\n( cd src ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/PW/src'\nif test -n \"\" ; then \\\n( cd ../.. ; make || exit 1 ) ; fi\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c pwscf.f90 -o pwscf.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pw.x \\\n pwscf.o libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.5//Modules/libqemod.a /kaggle/working/q-e-qe-7.5//upflib/libupf.a /kaggle/working/q-e-qe-7.5//XClib/xc_lib.a /kaggle/working/q-e-qe-7.5//FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.5//LAXlib/libqela.a /kaggle/working/q-e-qe-7.5//UtilXlib/libutil.a /kaggle/working/q-e-qe-7.5//MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand /kaggle/working/q-e-qe-7.5//external/devxlib/src/libdevXlib.a -L/kaggle/working/q-e-qe-7.5//external/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin; ln -fs ../PW/src/pw.x . ; \\\n ln -fs ../PW/src/pw.x dist.x ; ln -fs ../PW/src/pw.x manypw.x ; )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/PW/src'\n( cd tools ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/PW/tools'\nif test -n \"\" ; then \\\n( cd ../.. ; make || exit 1 ) ; fi\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../src -I../../dft-d3/ -c ev.f90 -o ev.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../src -I../../dft-d3/ -c kpoints.f90 -o kpoints.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../src -I../../dft-d3/ -c pwi2xsf.f90 -o pwi2xsf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../src -I../../dft-d3/ -c ibrav2cell.f90 -o ibrav2cell.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../src -I../../dft-d3/ -c cell2ibrav.f90 -o cell2ibrav.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../src -I../../dft-d3/ -c scan_ibrav.f90 -o scan_ibrav.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../src -I../../dft-d3/ -c rism1d.f90 -o rism1d.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o kpoints.x \\\n\tkpoints.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.5//Modules/libqemod.a /kaggle/working/q-e-qe-7.5//upflib/libupf.a /kaggle/working/q-e-qe-7.5//XClib/xc_lib.a /kaggle/working/q-e-qe-7.5//FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.5//LAXlib/libqela.a /kaggle/working/q-e-qe-7.5//UtilXlib/libutil.a /kaggle/working/q-e-qe-7.5//MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand /kaggle/working/q-e-qe-7.5//external/devxlib/src/libdevXlib.a -L/kaggle/working/q-e-qe-7.5//external/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pwi2xsf.x \\\n\tpwi2xsf.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.5//Modules/libqemod.a /kaggle/working/q-e-qe-7.5//upflib/libupf.a /kaggle/working/q-e-qe-7.5//XClib/xc_lib.a /kaggle/working/q-e-qe-7.5//FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.5//LAXlib/libqela.a /kaggle/working/q-e-qe-7.5//UtilXlib/libutil.a /kaggle/working/q-e-qe-7.5//MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand /kaggle/working/q-e-qe-7.5//external/devxlib/src/libdevXlib.a -L/kaggle/working/q-e-qe-7.5//external/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ibrav2cell.x \\\n\tibrav2cell.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.5//Modules/libqemod.a /kaggle/working/q-e-qe-7.5//upflib/libupf.a /kaggle/working/q-e-qe-7.5//XClib/xc_lib.a /kaggle/working/q-e-qe-7.5//FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.5//LAXlib/libqela.a /kaggle/working/q-e-qe-7.5//UtilXlib/libutil.a /kaggle/working/q-e-qe-7.5//MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand /kaggle/working/q-e-qe-7.5//external/devxlib/src/libdevXlib.a -L/kaggle/working/q-e-qe-7.5//external/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o cell2ibrav.x \\\n\tcell2ibrav.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.5//Modules/libqemod.a /kaggle/working/q-e-qe-7.5//upflib/libupf.a /kaggle/working/q-e-qe-7.5//XClib/xc_lib.a /kaggle/working/q-e-qe-7.5//FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.5//LAXlib/libqela.a /kaggle/working/q-e-qe-7.5//UtilXlib/libutil.a /kaggle/working/q-e-qe-7.5//MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand /kaggle/working/q-e-qe-7.5//external/devxlib/src/libdevXlib.a -L/kaggle/working/q-e-qe-7.5//external/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/kpoints.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o scan_ibrav.x \\\n\tscan_ibrav.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.5//Modules/libqemod.a /kaggle/working/q-e-qe-7.5//upflib/libupf.a /kaggle/working/q-e-qe-7.5//XClib/xc_lib.a /kaggle/working/q-e-qe-7.5//FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.5//LAXlib/libqela.a /kaggle/working/q-e-qe-7.5//UtilXlib/libutil.a /kaggle/working/q-e-qe-7.5//MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand /kaggle/working/q-e-qe-7.5//external/devxlib/src/libdevXlib.a -L/kaggle/working/q-e-qe-7.5//external/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/pwi2xsf.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o rism1d.x \\\n\trism1d.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.5//Modules/libqemod.a /kaggle/working/q-e-qe-7.5//upflib/libupf.a /kaggle/working/q-e-qe-7.5//XClib/xc_lib.a /kaggle/working/q-e-qe-7.5//FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.5//LAXlib/libqela.a /kaggle/working/q-e-qe-7.5//UtilXlib/libutil.a /kaggle/working/q-e-qe-7.5//MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand /kaggle/working/q-e-qe-7.5//external/devxlib/src/libdevXlib.a -L/kaggle/working/q-e-qe-7.5//external/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/cell2ibrav.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ev.x \\\n\tev.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.5//Modules/libqemod.a /kaggle/working/q-e-qe-7.5//upflib/libupf.a /kaggle/working/q-e-qe-7.5//XClib/xc_lib.a /kaggle/working/q-e-qe-7.5//FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.5//LAXlib/libqela.a /kaggle/working/q-e-qe-7.5//UtilXlib/libutil.a /kaggle/working/q-e-qe-7.5//MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand /kaggle/working/q-e-qe-7.5//external/devxlib/src/libdevXlib.a -L/kaggle/working/q-e-qe-7.5//external/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/ibrav2cell.x . )\n( cd ../../bin ; ln -fs ../PW/tools/scan_ibrav.x . )\n( cd ../../bin ; ln -fs ../PW/tools/ev.x . )\n( cd ../../bin ; ln -fs ../PW/tools/rism1d.x . )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/PW/tools'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/PW'\n","output_type":"stream"}],"execution_count":7},{"cell_type":"markdown","source":"Below code runs QE and the analysis.","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > run_qe.sh << 'EOF'\n#!/bin/bash\nexport CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\nexec /kaggle/working/q-e-qe-7.5/bin/pw.x -nb 4 -in input.in > output.out\nEOF\nchmod +x run_qe.sh\n\nmpirun --allow-run-as-root -np 2 \\\n --bind-to none \\\n ./run_qe.sh || true","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T08:45:09.521870Z","iopub.execute_input":"2026-07-30T08:45:09.522428Z","iopub.status.idle":"2026-07-30T09:02:52.101648Z","shell.execute_reply.started":"2026-07-30T08:45:09.522392Z","shell.execute_reply":"2026-07-30T09:02:52.100583Z"}},"outputs":[{"name":"stderr","text":"FORTRAN STOP\nWarning: ieee_invalid is signaling\nWarning: ieee_divide_by_zero is signaling\nWarning: ieee_inexact is signaling\nFORTRAN STOP\n","output_type":"stream"}],"execution_count":14},{"cell_type":"markdown","source":"Check outputs for any errors(saves a lot of time compared to trying to use mpirun error codes)","metadata":{}},{"cell_type":"code","source":"!cat output.out","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T09:02:52.103264Z","iopub.execute_input":"2026-07-30T09:02:52.103580Z","iopub.status.idle":"2026-07-30T09:02:52.234373Z","shell.execute_reply.started":"2026-07-30T09:02:52.103556Z","shell.execute_reply":"2026-07-30T09:02:52.233266Z"}},"outputs":[{"name":"stdout","text":"\n Program PWSCF v.7.5 starts on 30Jul2026 at 8:45: 9 \n\n This program is part of the open-source Quantum ESPRESSO suite\n for quantum simulation of materials; please cite\n \"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);\n \"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);\n \"P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);\n URL http://www.quantum-espresso.org\", \n in publications or presentations arising from this work. More details at\n http://www.quantum-espresso.org/quote\n\n Serial version\n 4537 MiB available memory on the printing compute node when the environment starts\n \n Reading input from input.in\n\n Current dimensions of program PWSCF are:\n Max number of different atomic species (ntypx) = 10\n Max number of k-points (npk) = 40000\n Max angular momentum in pseudopotentials (lmaxx) = 4\n Stress calculation not meaningful in isolated systems\n\n file N.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S renormalized\n file C.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S 2P renormalized\n file O.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S 2P renormalized\n\n IMPORTANT: XC functional enforced from input :\n Exchange-correlation= PBE\n ( 1 4 3 4 0 0 0)\n Any further DFT definition will be discarded\n Please, verify this is what you really want\n\n\n gamma-point specific algorithms are used\n \n \n G-vector sticks info\n --------------------\n sticks: dense smooth PW G-vecs: dense smooth PW\n Sum 40945 20461 5129 6227117 2201421 274961\n \n Using Slab Decomposition\n \n\n\n bravais-lattice index = 0\n lattice parameter (alat) = 37.7945 a.u.\n unit-cell volume = 53986.6760 (a.u.)^3\n number of atoms/cell = 40\n number of atomic types = 3\n number of electrons = 214.00\n number of Kohn-Sham states= 112\n kinetic-energy cutoff = 45.0000 Ry\n charge density cutoff = 360.0000 Ry\n scf convergence threshold = 1.0E-08\n mixing beta = 0.3000\n number of iterations used = 8 local-TF mixing\n energy convergence thresh.= 1.0E-04\n force convergence thresh. = 1.0E-03\n Exchange-correlation= PBE\n ( 1 4 3 4 0 0 0)\n nstep = 50\n\n\n GPU acceleration is ACTIVE. 1 visible GPUs per MPI rank\n\n Assuming isolated system, Martyna-Tuckerman method\n\n\n celldm(1)= 37.794522 celldm(2)= 0.000000 celldm(3)= 0.000000\n celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000\n\n crystal axes: (cart. coord. in units of alat)\n a(1) = ( 1.000000 0.000000 0.000000 ) \n a(2) = ( 0.000000 1.000000 0.000000 ) \n a(3) = ( 0.000000 0.000000 1.000000 ) \n\n reciprocal axes: (cart. coord. in units 2 pi/alat)\n b(1) = ( 1.000000 0.000000 0.000000 ) \n b(2) = ( 0.000000 1.000000 0.000000 ) \n b(3) = ( 0.000000 0.000000 1.000000 ) \n\n\n PseudoPot. # 1 for N read from file:\n ./pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF\n MD5 check sum: 14c48229446f9f2d411169a3abcbc3fa\n Pseudo is Projector augmented-wave + core cor, Zval = 5.0\n Generated using "atomic" code by A. Dal Corso v.6.3\n Shape of augmentation charge: PSQ\n Using radial grid of 1085 points, 4 beta functions with: \n l(1) = 0\n l(2) = 0\n l(3) = 1\n l(4) = 1\n Q(r) pseudized with 0 coefficients \n\n\n PseudoPot. # 2 for C read from file:\n ./pseudo/C.pbe-n-kjpaw_psl.1.0.0.UPF\n MD5 check sum: 5f16ad9a65e90284d1d834d4ab3b0f7d\n Pseudo is Projector augmented-wave + core cor, Zval = 4.0\n Generated using "atomic" code by A. Dal Corso v.6.3\n Shape of augmentation charge: PSQ\n Using radial grid of 1073 points, 4 beta functions with: \n l(1) = 0\n l(2) = 0\n l(3) = 1\n l(4) = 1\n Q(r) pseudized with 0 coefficients \n\n\n PseudoPot. # 3 for O read from file:\n ./pseudo/O.pbe-n-kjpaw_psl.1.0.0.UPF\n MD5 check sum: e99d9cef9b487d1ca56f5b95ecd0fd7a\n Pseudo is Projector augmented-wave + core cor, Zval = 6.0\n Generated using "atomic" code by A. Dal Corso v.6.3\n Shape of augmentation charge: PSQ\n Using radial grid of 1095 points, 4 beta functions with: \n l(1) = 0\n l(2) = 0\n l(3) = 1\n l(4) = 1\n Q(r) pseudized with 0 coefficients \n\n\n atomic species valence mass pseudopotential\n N 5.00 14.00700 N ( 1.00)\n C 4.00 12.00000 C ( 1.00)\n O 6.00 16.00000 O ( 1.00)\n\n No symmetry found\n\n\n\n Cartesian axes\n\n site n. atom positions (alat units)\n 1 N tau( 1) = ( 0.5442696 0.5250549 0.4722695 )\n 2 N tau( 2) = ( 0.5603382 0.4577031 0.4530804 )\n 3 N tau( 3) = ( 0.5651545 0.4359939 0.5211068 )\n 4 N tau( 4) = ( 0.6351172 0.4490598 0.5208343 )\n 5 N tau( 5) = ( 0.6213379 0.5220462 0.5408817 )\n 6 C tau( 6) = ( 0.6133900 0.5420130 0.4691470 )\n 7 C tau( 7) = ( 0.6396019 0.6089819 0.4366548 )\n 8 N tau( 8) = ( 0.7146386 0.6098064 0.4432914 )\n 9 O tau( 9) = ( 0.7284335 0.6042607 0.5104961 )\n 10 O tau( 10) = ( 0.7371529 0.5511936 0.4151277 )\n 11 N tau( 11) = ( 0.6189668 0.6093873 0.3634015 )\n 12 N tau( 12) = ( 0.6404371 0.5495858 0.3291519 )\n 13 O tau( 13) = ( 0.6789012 0.5621517 0.2742994 )\n 14 O tau( 14) = ( 0.5856897 0.5126427 0.3119959 )\n 15 N tau( 15) = ( 0.6160483 0.6727821 0.3249513 )\n 16 N tau( 16) = ( 0.5634062 0.6796498 0.2737709 )\n 17 O tau( 17) = ( 0.5046925 0.6551035 0.3010716 )\n 18 O tau( 18) = ( 0.5786576 0.6405548 0.2192991 )\n 19 N tau( 19) = ( 0.6739297 0.7128545 0.3151055 )\n 20 N tau( 20) = ( 0.7253942 0.6914673 0.2694967 )\n 21 O tau( 21) = ( 0.7382732 0.7379094 0.2208604 )\n 22 O tau( 22) = ( 0.7832096 0.6819716 0.3066256 )\n 23 N tau( 23) = ( 0.6832394 0.7739866 0.3550635 )\n 24 N tau( 24) = ( 0.6504628 0.8341122 0.3266570 )\n 25 O tau( 25) = ( 0.5818152 0.8216765 0.3237975 )\n 26 O tau( 26) = ( 0.6706632 0.8461025 0.2622949 )\n 27 N tau( 27) = ( 0.6698867 0.7646783 0.4282428 )\n 28 N tau( 28) = ( 0.6904843 0.8206350 0.4719688 )\n 29 O tau( 29) = ( 0.7583718 0.8298867 0.4637674 )\n 30 O tau( 30) = ( 0.6591636 0.8788048 0.4513982 )\n 31 N tau( 31) = ( 0.6067420 0.7335414 0.4439924 )\n 32 N tau( 32) = ( 0.5469890 0.7758037 0.4555312 )\n 33 O tau( 33) = ( 0.5459279 0.7973429 0.5208320 )\n 34 O tau( 34) = ( 0.4914183 0.7355152 0.4463151 )\n 35 N tau( 35) = ( 0.6073129 0.6666437 0.4744138 )\n 36 N tau( 36) = ( 0.6204479 0.6633207 0.5455089 )\n 37 O tau( 37) = ( 0.6517388 0.7193831 0.5692587 )\n 38 O tau( 38) = ( 0.5615290 0.6533228 0.5785499 )\n 39 N tau( 39) = ( 0.6300941 0.4725863 0.4477702 )\n 40 N tau( 40) = ( 0.5519394 0.5037239 0.5401663 )\n\n --------------------------------------------\n DFT-D3 Dispersion Correction (no 3-body):\n --------------------------------------------\n Reference C6 values for interpolation: \n\n atom Coordination number C6\n C 0.000 98.23\n C 0.987 86.49\n C 1.998 58.72\n C 2.999 51.56\n C 3.984 36.41\n N 0.000 50.54\n N 0.994 44.25\n N 2.014 39.35\n N 2.990 31.16\n O 0.000 31.01\n O 0.993 25.63\n O 1.989 20.74\n\n Values used:\n\n atom Coordination number R0_AB[au] C6 C8\n N 3.634 2.478 31.16 687.51\n N 3.967 2.478 31.16 687.49\n N 3.564 2.478 31.17 687.53\n N 3.642 2.478 31.16 687.51\n N 3.551 2.478 31.17 687.54\n C 4.968 2.750 36.41 1053.14\n C 4.178 2.750 36.47 1054.85\n N 3.060 2.478 31.26 689.63\n O 1.075 2.345 25.50 514.58\n O 1.076 2.345 25.50 514.54\n N 3.140 2.478 31.22 688.64\n N 3.061 2.478 31.26 689.61\n O 1.047 2.345 25.55 515.55\n O 1.048 2.345 25.54 515.50\n N 3.126 2.478 31.22 688.78\n N 3.023 2.478 31.29 690.34\n O 1.043 2.345 25.55 515.66\n O 1.042 2.345 25.55 515.70\n N 3.134 2.478 31.22 688.70\n N 3.027 2.478 31.29 690.25\n O 1.040 2.345 25.56 515.78\n O 1.045 2.345 25.55 515.61\n N 3.098 2.478 31.24 689.09\n N 3.026 2.478 31.29 690.26\n O 1.046 2.345 25.55 515.58\n O 1.040 2.345 25.56 515.78\n N 3.110 2.478 31.23 688.94\n N 3.022 2.478 31.29 690.36\n O 1.041 2.345 25.56 515.75\n O 1.044 2.345 25.55 515.63\n N 3.134 2.478 31.22 688.69\n N 3.019 2.478 31.30 690.43\n O 1.042 2.345 25.55 515.70\n O 1.043 2.345 25.55 515.66\n N 3.146 2.478 31.21 688.59\n N 3.063 2.478 31.26 689.59\n O 1.046 2.345 25.55 515.59\n O 1.047 2.345 25.55 515.53\n N 3.546 2.478 31.17 687.54\n N 3.945 2.478 31.16 687.49\n\n Molecular C6 ( Ry / a.u.^6 ) = 46510.31\n\n\n number of k points= 1\n cart. coord. in units 2pi/alat\n k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 2.0000000\n\n Dense grid: 3113559 G-vectors FFT dimensions: ( 240, 240, 240)\n\n Smooth grid: 1100711 G-vectors FFT dimensions: ( 162, 162, 162)\n\n Estimated max dynamical RAM per process > 8.24 GB\n\n Atomic positions and unit cell read from directory:\n ./tmp/calc.save/\n \n\n Check: negative core charge= -0.000001\n\n The initial density is read from file :\n ./tmp/calc.save/charge-density\n\n\n negative rho (up, down): 2.687E-02 0.000E+00\n Starting wfcs from file\n\n total cpu time spent up to now is 9.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-05, avg # of iterations = 1.0\n\n Threshold (ethr) on eigenvalues was too large:\n Diagonalizing with lowered threshold\n\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 15.3 secs\n\n total energy = -1318.69595219 Ry\n estimated scf accuracy < 0.00002923 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.762E-02 0.000E+00\n\n total cpu time spent up to now is 19.4 secs\n\n total energy = -1318.69594924 Ry\n estimated scf accuracy < 0.73173862 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.768E-02 0.000E+00\n\n total cpu time spent up to now is 23.4 secs\n\n total energy = -1318.69595398 Ry\n estimated scf accuracy < 0.17634000 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.696E-02 0.000E+00\n\n total cpu time spent up to now is 27.5 secs\n\n total energy = -1318.69595640 Ry\n estimated scf accuracy < 0.00032659 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.661E-02 0.000E+00\n\n total cpu time spent up to now is 31.8 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00040829 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.643E-02 0.000E+00\n\n total cpu time spent up to now is 36.0 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00045832 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.635E-02 0.000E+00\n\n total cpu time spent up to now is 40.2 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00046987 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.631E-02 0.000E+00\n\n total cpu time spent up to now is 44.6 secs\n\n total energy = -1318.69595588 Ry\n estimated scf accuracy < 0.00040734 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.712E-02 0.000E+00\n\n total cpu time spent up to now is 48.9 secs\n\n total energy = -1318.69595146 Ry\n estimated scf accuracy < 0.70782268 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.667E-02 0.000E+00\n\n total cpu time spent up to now is 53.2 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00057714 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.646E-02 0.000E+00\n\n total cpu time spent up to now is 57.5 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00034031 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.635E-02 0.000E+00\n\n total cpu time spent up to now is 61.7 secs\n\n total energy = -1318.69595590 Ry\n estimated scf accuracy < 0.00008042 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.630E-02 0.000E+00\n\n total cpu time spent up to now is 66.0 secs\n\n total energy = -1318.69595590 Ry\n estimated scf accuracy < 0.00002358 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 70.4 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00038397 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 74.7 secs\n\n total energy = -1318.69595590 Ry\n estimated scf accuracy < 0.00027929 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 79.0 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00035213 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 83.3 secs\n\n total energy = -1318.69595594 Ry\n estimated scf accuracy < 0.00003894 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 87.6 secs\n\n total energy = -1318.69595593 Ry\n estimated scf accuracy < 0.00002330 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 91.9 secs\n\n total energy = -1318.69595592 Ry\n estimated scf accuracy < 0.00008193 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 96.2 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00016956 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 100.4 secs\n\n total energy = -1318.69595581 Ry\n estimated scf accuracy < 0.00438551 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 104.7 secs\n\n total energy = -1318.69595592 Ry\n estimated scf accuracy < 0.00114451 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 108.9 secs\n\n total energy = -1318.69595594 Ry\n estimated scf accuracy < 0.00008593 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 113.2 secs\n\n total energy = -1318.69595594 Ry\n estimated scf accuracy < 0.00014043 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 117.4 secs\n\n total energy = -1318.69595593 Ry\n estimated scf accuracy < 0.00014171 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 121.7 secs\n\n total energy = -1318.69595594 Ry\n estimated scf accuracy < 0.00020043 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 125.8 secs\n\n total energy = -1318.69595594 Ry\n estimated scf accuracy < 0.00021838 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 130.1 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00043226 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 134.4 secs\n\n total energy = -1318.69595596 Ry\n estimated scf accuracy < 0.00095163 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 138.7 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00036494 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 142.9 secs\n\n total energy = -1318.69595592 Ry\n estimated scf accuracy < 0.00109236 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 147.1 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00002458 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 151.3 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00004551 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 155.6 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00003183 Ry\n\n iteration # 35 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 159.7 secs\n\n total energy = -1318.69595596 Ry\n estimated scf accuracy < 0.00020095 Ry\n\n iteration # 36 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 164.0 secs\n\n total energy = -1318.69595596 Ry\n estimated scf accuracy < 0.00021023 Ry\n\n iteration # 37 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 168.2 secs\n\n total energy = -1318.69595597 Ry\n estimated scf accuracy < 0.00029194 Ry\n\n iteration # 38 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 172.4 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00031705 Ry\n\n iteration # 39 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 176.6 secs\n\n total energy = -1318.69595597 Ry\n estimated scf accuracy < 0.00025303 Ry\n\n iteration # 40 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 180.8 secs\n\n total energy = -1318.69595593 Ry\n estimated scf accuracy < 0.00020056 Ry\n\n iteration # 41 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.688E-02 0.000E+00\n\n total cpu time spent up to now is 185.1 secs\n\n total energy = -1318.69594381 Ry\n estimated scf accuracy < 0.72370926 Ry\n\n iteration # 42 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.655E-02 0.000E+00\n\n total cpu time spent up to now is 189.3 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00008788 Ry\n\n iteration # 43 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.640E-02 0.000E+00\n\n total cpu time spent up to now is 193.5 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00009064 Ry\n\n iteration # 44 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 197.7 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00007198 Ry\n\n iteration # 45 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.629E-02 0.000E+00\n\n total cpu time spent up to now is 201.9 secs\n\n total energy = -1318.69595604 Ry\n estimated scf accuracy < 0.00004856 Ry\n\n iteration # 46 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 206.1 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00003816 Ry\n\n iteration # 47 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 210.3 secs\n\n total energy = -1318.69595609 Ry\n estimated scf accuracy < 0.00003200 Ry\n\n iteration # 48 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 214.5 secs\n\n total energy = -1318.69595607 Ry\n estimated scf accuracy < 0.00003134 Ry\n\n iteration # 49 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 218.7 secs\n\n total energy = -1318.69595608 Ry\n estimated scf accuracy < 0.00003064 Ry\n\n iteration # 50 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 222.9 secs\n\n total energy = -1318.69595643 Ry\n estimated scf accuracy < 0.00002429 Ry\n\n iteration # 51 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.624E-02 0.000E+00\n\n total cpu time spent up to now is 227.1 secs\n\n total energy = -1318.69595631 Ry\n estimated scf accuracy < 0.00008893 Ry\n\n iteration # 52 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 231.3 secs\n\n total energy = -1318.69595579 Ry\n estimated scf accuracy < 0.00019541 Ry\n\n iteration # 53 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.688E-02 0.000E+00\n\n total cpu time spent up to now is 235.5 secs\n\n total energy = -1318.69592223 Ry\n estimated scf accuracy < 0.72210124 Ry\n\n iteration # 54 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.655E-02 0.000E+00\n\n total cpu time spent up to now is 239.7 secs\n\n total energy = -1318.69595615 Ry\n estimated scf accuracy < 0.00002690 Ry\n\n iteration # 55 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.639E-02 0.000E+00\n\n total cpu time spent up to now is 243.9 secs\n\n total energy = -1318.69595609 Ry\n estimated scf accuracy < 0.00002616 Ry\n\n iteration # 56 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 248.2 secs\n\n total energy = -1318.69595610 Ry\n estimated scf accuracy < 0.00002572 Ry\n\n iteration # 57 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 252.4 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00002567 Ry\n\n iteration # 58 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 256.6 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00002606 Ry\n\n iteration # 59 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 260.8 secs\n\n total energy = -1318.69595612 Ry\n estimated scf accuracy < 0.00002606 Ry\n\n iteration # 60 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 264.9 secs\n\n total energy = -1318.69595614 Ry\n estimated scf accuracy < 0.00002546 Ry\n\n iteration # 61 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 269.1 secs\n\n total energy = -1318.69595615 Ry\n estimated scf accuracy < 0.00002634 Ry\n\n iteration # 62 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.633E-02 0.000E+00\n\n total cpu time spent up to now is 273.3 secs\n\n total energy = -1318.69595208 Ry\n estimated scf accuracy < 0.00002552 Ry\n\n iteration # 63 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.690E-02 0.000E+00\n\n total cpu time spent up to now is 277.5 secs\n\n total energy = -1318.69591013 Ry\n estimated scf accuracy < 0.73866533 Ry\n\n iteration # 64 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 281.7 secs\n\n total energy = -1318.69595614 Ry\n estimated scf accuracy < 0.00002672 Ry\n\n iteration # 65 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.640E-02 0.000E+00\n\n total cpu time spent up to now is 285.9 secs\n\n total energy = -1318.69595604 Ry\n estimated scf accuracy < 0.00002588 Ry\n\n iteration # 66 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 290.1 secs\n\n total energy = -1318.69595604 Ry\n estimated scf accuracy < 0.00002444 Ry\n\n iteration # 67 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 294.3 secs\n\n total energy = -1318.69595607 Ry\n estimated scf accuracy < 0.00002487 Ry\n\n iteration # 68 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 298.5 secs\n\n total energy = -1318.69595604 Ry\n estimated scf accuracy < 0.00002506 Ry\n\n iteration # 69 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 302.7 secs\n\n total energy = -1318.69595602 Ry\n estimated scf accuracy < 0.00002542 Ry\n\n iteration # 70 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 307.0 secs\n\n total energy = -1318.69595598 Ry\n estimated scf accuracy < 0.00002303 Ry\n\n iteration # 71 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 311.3 secs\n\n total energy = -1318.69595590 Ry\n estimated scf accuracy < 0.00002602 Ry\n\n iteration # 72 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.691E-02 0.000E+00\n\n total cpu time spent up to now is 315.6 secs\n\n total energy = -1318.69595238 Ry\n estimated scf accuracy < 0.72260967 Ry\n\n iteration # 73 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.657E-02 0.000E+00\n\n total cpu time spent up to now is 319.8 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00003231 Ry\n\n iteration # 74 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.766E-02 0.000E+00\n\n total cpu time spent up to now is 324.1 secs\n\n total energy = -1318.69596074 Ry\n estimated scf accuracy < 0.72275657 Ry\n\n iteration # 75 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.885E-02 0.000E+00\n\n total cpu time spent up to now is 328.3 secs\n\n total energy = -1318.69596699 Ry\n estimated scf accuracy < 0.72092692 Ry\n\n iteration # 76 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.986E-02 0.000E+00\n\n total cpu time spent up to now is 332.5 secs\n\n total energy = -1318.69599146 Ry\n estimated scf accuracy < 0.72251649 Ry\n\n iteration # 77 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.066E-02 0.000E+00\n\n total cpu time spent up to now is 336.7 secs\n\n total energy = -1318.69599234 Ry\n estimated scf accuracy < 0.72357448 Ry\n\n iteration # 78 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.125E-02 0.000E+00\n\n total cpu time spent up to now is 340.9 secs\n\n total energy = -1318.69599234 Ry\n estimated scf accuracy < 0.72368133 Ry\n\n iteration # 79 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.168E-02 0.000E+00\n\n total cpu time spent up to now is 345.1 secs\n\n total energy = -1318.69595247 Ry\n estimated scf accuracy < 0.72393805 Ry\n\n iteration # 80 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.951E-02 0.000E+00\n\n total cpu time spent up to now is 349.4 secs\n\n total energy = -1318.69595717 Ry\n estimated scf accuracy < 0.04251432 Ry\n\n iteration # 81 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.928E-02 0.000E+00\n\n total cpu time spent up to now is 353.6 secs\n\n total energy = -1318.69596129 Ry\n estimated scf accuracy < 0.26677332 Ry\n\n iteration # 82 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.017E-02 0.000E+00\n\n total cpu time spent up to now is 357.8 secs\n\n total energy = -1318.69596267 Ry\n estimated scf accuracy < 0.72386225 Ry\n\n iteration # 83 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.087E-02 0.000E+00\n\n total cpu time spent up to now is 362.0 secs\n\n total energy = -1318.69595615 Ry\n estimated scf accuracy < 0.71661047 Ry\n\n iteration # 84 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.062E-02 0.000E+00\n\n total cpu time spent up to now is 366.2 secs\n\n total energy = -1318.69595942 Ry\n estimated scf accuracy < 0.40416037 Ry\n\n iteration # 85 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.108E-02 0.000E+00\n\n total cpu time spent up to now is 370.5 secs\n\n total energy = -1318.69595285 Ry\n estimated scf accuracy < 0.65922062 Ry\n\n iteration # 86 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.915E-02 0.000E+00\n\n total cpu time spent up to now is 374.7 secs\n\n total energy = -1318.69595753 Ry\n estimated scf accuracy < 0.03023216 Ry\n\n iteration # 87 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 378.9 secs\n\n total energy = -1318.69595812 Ry\n estimated scf accuracy < 0.01781254 Ry\n\n iteration # 88 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.900E-02 0.000E+00\n\n total cpu time spent up to now is 383.1 secs\n\n total energy = -1318.69595613 Ry\n estimated scf accuracy < 0.65615932 Ry\n\n iteration # 89 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 387.3 secs\n\n total energy = -1318.69595788 Ry\n estimated scf accuracy < 0.02856719 Ry\n\n iteration # 90 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.887E-02 0.000E+00\n\n total cpu time spent up to now is 391.6 secs\n\n total energy = -1318.69595883 Ry\n estimated scf accuracy < 0.56500240 Ry\n\n iteration # 91 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.956E-02 0.000E+00\n\n total cpu time spent up to now is 395.8 secs\n\n total energy = -1318.69595903 Ry\n estimated scf accuracy < 0.54981939 Ry\n\n iteration # 92 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.024E-02 0.000E+00\n\n total cpu time spent up to now is 399.9 secs\n\n total energy = -1318.69595733 Ry\n estimated scf accuracy < 0.63516217 Ry\n\n iteration # 93 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.004E-02 0.000E+00\n\n total cpu time spent up to now is 404.2 secs\n\n total energy = -1318.69595586 Ry\n estimated scf accuracy < 0.33791172 Ry\n\n iteration # 94 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.838E-02 0.000E+00\n\n total cpu time spent up to now is 408.3 secs\n\n total energy = -1318.69595768 Ry\n estimated scf accuracy < 0.00983348 Ry\n\n iteration # 95 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.744E-02 0.000E+00\n\n total cpu time spent up to now is 412.5 secs\n\n total energy = -1318.69595693 Ry\n estimated scf accuracy < 0.00572322 Ry\n\n iteration # 96 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.690E-02 0.000E+00\n\n total cpu time spent up to now is 416.7 secs\n\n total energy = -1318.69595648 Ry\n estimated scf accuracy < 0.00267385 Ry\n\n iteration # 97 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.769E-02 0.000E+00\n\n total cpu time spent up to now is 421.0 secs\n\n total energy = -1318.69595675 Ry\n estimated scf accuracy < 0.45475497 Ry\n\n iteration # 98 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.734E-02 0.000E+00\n\n total cpu time spent up to now is 425.2 secs\n\n total energy = -1318.69595678 Ry\n estimated scf accuracy < 0.04064797 Ry\n\n iteration # 99 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.691E-02 0.000E+00\n\n total cpu time spent up to now is 429.4 secs\n\n total energy = -1318.69595631 Ry\n estimated scf accuracy < 0.00704090 Ry\n\n iteration #100 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.664E-02 0.000E+00\n\n total cpu time spent up to now is 433.6 secs\n\n total energy = -1318.69595609 Ry\n estimated scf accuracy < 0.00314367 Ry\n\n iteration #101 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.647E-02 0.000E+00\n\n total cpu time spent up to now is 437.8 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00146896 Ry\n\n iteration #102 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.638E-02 0.000E+00\n\n total cpu time spent up to now is 442.0 secs\n\n total energy = -1318.69595596 Ry\n estimated scf accuracy < 0.00086858 Ry\n\n iteration #103 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.633E-02 0.000E+00\n\n total cpu time spent up to now is 446.1 secs\n\n total energy = -1318.69595596 Ry\n estimated scf accuracy < 0.00075606 Ry\n\n iteration #104 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.630E-02 0.000E+00\n\n total cpu time spent up to now is 450.3 secs\n\n total energy = -1318.69595596 Ry\n estimated scf accuracy < 0.00081361 Ry\n\n iteration #105 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 454.5 secs\n\n total energy = -1318.69595597 Ry\n estimated scf accuracy < 0.00029357 Ry\n\n iteration #106 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 458.8 secs\n\n total energy = -1318.69595598 Ry\n estimated scf accuracy < 0.00023871 Ry\n\n iteration #107 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 462.9 secs\n\n total energy = -1318.69595600 Ry\n estimated scf accuracy < 0.00015343 Ry\n\n iteration #108 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 467.1 secs\n\n total energy = -1318.69595600 Ry\n estimated scf accuracy < 0.00008112 Ry\n\n iteration #109 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 471.3 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00009298 Ry\n\n iteration #110 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 475.5 secs\n\n total energy = -1318.69595602 Ry\n estimated scf accuracy < 0.00010611 Ry\n\n iteration #111 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 479.7 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00016861 Ry\n\n iteration #112 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 483.9 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00012601 Ry\n\n iteration #113 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 488.1 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00011744 Ry\n\n iteration #114 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 492.2 secs\n\n total energy = -1318.69595602 Ry\n estimated scf accuracy < 0.00036442 Ry\n\n iteration #115 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 496.4 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00024814 Ry\n\n iteration #116 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 500.5 secs\n\n total energy = -1318.69595605 Ry\n estimated scf accuracy < 0.00011680 Ry\n\n iteration #117 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 504.7 secs\n\n total energy = -1318.69595599 Ry\n estimated scf accuracy < 0.00017554 Ry\n\n iteration #118 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 508.9 secs\n\n total energy = -1318.69595593 Ry\n estimated scf accuracy < 0.00002477 Ry\n\n iteration #119 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.686E-02 0.000E+00\n\n total cpu time spent up to now is 513.1 secs\n\n total energy = -1318.69595042 Ry\n estimated scf accuracy < 0.72358558 Ry\n\n iteration #120 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.654E-02 0.000E+00\n\n total cpu time spent up to now is 517.3 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00002606 Ry\n\n iteration #121 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.639E-02 0.000E+00\n\n total cpu time spent up to now is 521.5 secs\n\n total energy = -1318.69595596 Ry\n estimated scf accuracy < 0.00002492 Ry\n\n iteration #122 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.631E-02 0.000E+00\n\n total cpu time spent up to now is 525.7 secs\n\n total energy = -1318.69595597 Ry\n estimated scf accuracy < 0.00002333 Ry\n\n iteration #123 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 529.9 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00002318 Ry\n\n iteration #124 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 534.0 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00002650 Ry\n\n iteration #125 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 538.3 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00002313 Ry\n\n iteration #126 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 542.5 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00002419 Ry\n\n iteration #127 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 546.6 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00002372 Ry\n\n iteration #128 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 550.8 secs\n\n total energy = -1318.69595540 Ry\n estimated scf accuracy < 0.00002327 Ry\n\n iteration #129 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.690E-02 0.000E+00\n\n total cpu time spent up to now is 555.0 secs\n\n total energy = -1318.69594482 Ry\n estimated scf accuracy < 0.72526770 Ry\n\n iteration #130 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 559.1 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00002486 Ry\n\n iteration #131 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.640E-02 0.000E+00\n\n total cpu time spent up to now is 563.3 secs\n\n total energy = -1318.69595599 Ry\n estimated scf accuracy < 0.00002376 Ry\n\n iteration #132 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 567.5 secs\n\n total energy = -1318.69595598 Ry\n estimated scf accuracy < 0.00002328 Ry\n\n iteration #133 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 571.7 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00002290 Ry\n\n iteration #134 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 575.9 secs\n\n total energy = -1318.69595602 Ry\n estimated scf accuracy < 0.00002295 Ry\n\n iteration #135 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 580.1 secs\n\n total energy = -1318.69595604 Ry\n estimated scf accuracy < 0.00002296 Ry\n\n iteration #136 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 584.3 secs\n\n total energy = -1318.69595604 Ry\n estimated scf accuracy < 0.00002292 Ry\n\n iteration #137 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 588.4 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00002293 Ry\n\n iteration #138 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 592.6 secs\n\n total energy = -1318.69595376 Ry\n estimated scf accuracy < 0.00003130 Ry\n\n iteration #139 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.690E-02 0.000E+00\n\n total cpu time spent up to now is 596.8 secs\n\n total energy = -1318.69595036 Ry\n estimated scf accuracy < 0.73308632 Ry\n\n iteration #140 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 601.0 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00002252 Ry\n\n iteration #141 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.640E-02 0.000E+00\n\n total cpu time spent up to now is 605.2 secs\n\n total energy = -1318.69595590 Ry\n estimated scf accuracy < 0.00002251 Ry\n\n iteration #142 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 609.3 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00002332 Ry\n\n iteration #143 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 613.5 secs\n\n total energy = -1318.69595592 Ry\n estimated scf accuracy < 0.00002679 Ry\n\n iteration #144 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 617.7 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00002438 Ry\n\n iteration #145 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 621.9 secs\n\n total energy = -1318.69595596 Ry\n estimated scf accuracy < 0.00002697 Ry\n\n iteration #146 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 626.1 secs\n\n total energy = -1318.69595597 Ry\n estimated scf accuracy < 0.00002909 Ry\n\n iteration #147 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 630.2 secs\n\n total energy = -1318.69595599 Ry\n estimated scf accuracy < 0.00002392 Ry\n\n iteration #148 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 634.5 secs\n\n total energy = -1318.69595555 Ry\n estimated scf accuracy < 0.00006721 Ry\n\n iteration #149 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.690E-02 0.000E+00\n\n total cpu time spent up to now is 638.6 secs\n\n total energy = -1318.69593780 Ry\n estimated scf accuracy < 0.72555813 Ry\n\n iteration #150 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 642.8 secs\n\n total energy = -1318.69595610 Ry\n estimated scf accuracy < 0.00002495 Ry\n\n iteration #151 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.640E-02 0.000E+00\n\n total cpu time spent up to now is 647.0 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00002461 Ry\n\n iteration #152 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 651.2 secs\n\n total energy = -1318.69595598 Ry\n estimated scf accuracy < 0.00002516 Ry\n\n iteration #153 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.629E-02 0.000E+00\n\n total cpu time spent up to now is 655.3 secs\n\n total energy = -1318.69595599 Ry\n estimated scf accuracy < 0.00006843 Ry\n\n iteration #154 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 659.5 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00004823 Ry\n\n iteration #155 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 663.6 secs\n\n total energy = -1318.69595613 Ry\n estimated scf accuracy < 0.00002349 Ry\n\n iteration #156 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 667.9 secs\n\n total energy = -1318.69595611 Ry\n estimated scf accuracy < 0.00003429 Ry\n\n iteration #157 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 672.0 secs\n\n total energy = -1318.69595607 Ry\n estimated scf accuracy < 0.00003187 Ry\n\n iteration #158 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.617E-02 0.000E+00\n\n total cpu time spent up to now is 676.2 secs\n\n total energy = -1318.69595485 Ry\n estimated scf accuracy < 0.00002322 Ry\n\n iteration #159 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.690E-02 0.000E+00\n\n total cpu time spent up to now is 680.3 secs\n\n total energy = -1318.69594938 Ry\n estimated scf accuracy < 0.72895641 Ry\n\n iteration #160 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 684.5 secs\n\n total energy = -1318.69595605 Ry\n estimated scf accuracy < 0.00009922 Ry\n\n iteration #161 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.640E-02 0.000E+00\n\n total cpu time spent up to now is 688.7 secs\n\n total energy = -1318.69595602 Ry\n estimated scf accuracy < 0.00015948 Ry\n\n iteration #162 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 692.8 secs\n\n total energy = -1318.69595599 Ry\n estimated scf accuracy < 0.00006165 Ry\n\n iteration #163 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 697.0 secs\n\n total energy = -1318.69595600 Ry\n estimated scf accuracy < 0.00040035 Ry\n\n iteration #164 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.630E-02 0.000E+00\n\n total cpu time spent up to now is 701.3 secs\n\n total energy = -1318.69595602 Ry\n estimated scf accuracy < 0.01181385 Ry\n\n iteration #165 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.630E-02 0.000E+00\n\n total cpu time spent up to now is 705.4 secs\n\n total energy = -1318.69595574 Ry\n estimated scf accuracy < 0.00390330 Ry\n\n iteration #166 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 709.6 secs\n\n total energy = -1318.69595610 Ry\n estimated scf accuracy < 0.00007106 Ry\n\n iteration #167 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 713.7 secs\n\n total energy = -1318.69595615 Ry\n estimated scf accuracy < 0.00003913 Ry\n\n iteration #168 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 717.8 secs\n\n total energy = -1318.69595620 Ry\n estimated scf accuracy < 0.00002366 Ry\n\n iteration #169 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 722.0 secs\n\n total energy = -1318.69595620 Ry\n estimated scf accuracy < 0.00004133 Ry\n\n iteration #170 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 726.2 secs\n\n total energy = -1318.69595617 Ry\n estimated scf accuracy < 0.00004851 Ry\n\n iteration #171 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 730.3 secs\n\n total energy = -1318.69595616 Ry\n estimated scf accuracy < 0.00005329 Ry\n\n iteration #172 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 734.5 secs\n\n total energy = -1318.69595616 Ry\n estimated scf accuracy < 0.00005701 Ry\n\n iteration #173 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 738.7 secs\n\n total energy = -1318.69595619 Ry\n estimated scf accuracy < 0.00005453 Ry\n\n iteration #174 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 742.9 secs\n\n total energy = -1318.69595651 Ry\n estimated scf accuracy < 0.00011674 Ry\n\n iteration #175 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 747.0 secs\n\n total energy = -1318.69595721 Ry\n estimated scf accuracy < 0.00013066 Ry\n\n iteration #176 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 751.2 secs\n\n total energy = -1318.69595687 Ry\n estimated scf accuracy < 0.00012511 Ry\n\n iteration #177 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.617E-02 0.000E+00\n\n total cpu time spent up to now is 755.3 secs\n\n total energy = -1318.69595230 Ry\n estimated scf accuracy < 0.00005765 Ry\n\n iteration #178 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.686E-02 0.000E+00\n\n total cpu time spent up to now is 759.6 secs\n\n total energy = -1318.69593181 Ry\n estimated scf accuracy < 0.73717713 Ry\n\n iteration #179 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.654E-02 0.000E+00\n\n total cpu time spent up to now is 763.8 secs\n\n total energy = -1318.69595600 Ry\n estimated scf accuracy < 0.00002476 Ry\n\n iteration #180 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.639E-02 0.000E+00\n\n total cpu time spent up to now is 767.9 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00003122 Ry\n\n iteration #181 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.631E-02 0.000E+00\n\n total cpu time spent up to now is 772.1 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00003167 Ry\n\n iteration #182 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 776.3 secs\n\n total energy = -1318.69595613 Ry\n estimated scf accuracy < 0.00003344 Ry\n\n iteration #183 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 780.4 secs\n\n total energy = -1318.69595614 Ry\n estimated scf accuracy < 0.00004533 Ry\n\n iteration #184 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 784.6 secs\n\n total energy = -1318.69595617 Ry\n estimated scf accuracy < 0.00003070 Ry\n\n iteration #185 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 788.8 secs\n\n total energy = -1318.69595618 Ry\n estimated scf accuracy < 0.00002935 Ry\n\n iteration #186 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 792.9 secs\n\n total energy = -1318.69595619 Ry\n estimated scf accuracy < 0.00002727 Ry\n\n iteration #187 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.622E-02 0.000E+00\n\n total cpu time spent up to now is 797.1 secs\n\n total energy = -1318.69595442 Ry\n estimated scf accuracy < 0.00002636 Ry\n\n iteration #188 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.689E-02 0.000E+00\n\n total cpu time spent up to now is 801.3 secs\n\n total energy = -1318.69591595 Ry\n estimated scf accuracy < 0.72996248 Ry\n\n iteration #189 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.655E-02 0.000E+00\n\n total cpu time spent up to now is 805.5 secs\n\n total energy = -1318.69595616 Ry\n estimated scf accuracy < 0.00002793 Ry\n\n iteration #190 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.639E-02 0.000E+00\n\n total cpu time spent up to now is 809.7 secs\n\n total energy = -1318.69595613 Ry\n estimated scf accuracy < 0.00002646 Ry\n\n iteration #191 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.631E-02 0.000E+00\n\n total cpu time spent up to now is 813.8 secs\n\n total energy = -1318.69595613 Ry\n estimated scf accuracy < 0.00002632 Ry\n\n iteration #192 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 818.0 secs\n\n total energy = -1318.69595616 Ry\n estimated scf accuracy < 0.00002559 Ry\n\n iteration #193 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 822.2 secs\n\n total energy = -1318.69595615 Ry\n estimated scf accuracy < 0.00002563 Ry\n\n iteration #194 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 826.4 secs\n\n total energy = -1318.69595615 Ry\n estimated scf accuracy < 0.00002430 Ry\n\n iteration #195 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 830.6 secs\n\n total energy = -1318.69595613 Ry\n estimated scf accuracy < 0.00002475 Ry\n\n iteration #196 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 834.8 secs\n\n total energy = -1318.69595612 Ry\n estimated scf accuracy < 0.00002362 Ry\n\n iteration #197 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.650E-02 0.000E+00\n\n total cpu time spent up to now is 838.9 secs\n\n total energy = -1318.69595355 Ry\n estimated scf accuracy < 0.00002450 Ry\n\n iteration #198 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 3.0\n\n negative rho (up, down): 2.690E-02 0.000E+00\n\n total cpu time spent up to now is 843.2 secs\n\n total energy = -1318.69593017 Ry\n estimated scf accuracy < 0.74007766 Ry\n\n iteration #199 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.655E-02 0.000E+00\n\n total cpu time spent up to now is 847.5 secs\n\n total energy = -1318.69595552 Ry\n estimated scf accuracy < 0.00002594 Ry\n\n iteration #200 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.639E-02 0.000E+00\n\n total cpu time spent up to now is 851.6 secs\n\n total energy = -1318.69595557 Ry\n estimated scf accuracy < 0.00002479 Ry\n\n iteration #201 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 855.8 secs\n\n total energy = -1318.69595564 Ry\n estimated scf accuracy < 0.00002383 Ry\n\n iteration #202 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 860.0 secs\n\n total energy = -1318.69595571 Ry\n estimated scf accuracy < 0.00002313 Ry\n\n iteration #203 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 864.1 secs\n\n total energy = -1318.69595576 Ry\n estimated scf accuracy < 0.00002489 Ry\n\n iteration #204 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 868.3 secs\n\n total energy = -1318.69595583 Ry\n estimated scf accuracy < 0.00002666 Ry\n\n iteration #205 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 872.5 secs\n\n total energy = -1318.69595585 Ry\n estimated scf accuracy < 0.00002862 Ry\n\n iteration #206 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 876.7 secs\n\n total energy = -1318.69595586 Ry\n estimated scf accuracy < 0.00002654 Ry\n\n iteration #207 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 880.8 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00004966 Ry\n\n iteration #208 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.689E-02 0.000E+00\n\n total cpu time spent up to now is 885.2 secs\n\n total energy = -1318.69592015 Ry\n estimated scf accuracy < 0.73237904 Ry\n\n iteration #209 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 889.5 secs\n\n total energy = -1318.69595575 Ry\n estimated scf accuracy < 0.00002394 Ry\n\n iteration #210 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.640E-02 0.000E+00\n\n total cpu time spent up to now is 893.6 secs\n\n total energy = -1318.69595578 Ry\n estimated scf accuracy < 0.00002326 Ry\n\n iteration #211 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 897.8 secs\n\n total energy = -1318.69595583 Ry\n estimated scf accuracy < 0.00002288 Ry\n\n iteration #212 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 901.9 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00002965 Ry\n\n iteration #213 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 906.1 secs\n\n total energy = -1318.69595598 Ry\n estimated scf accuracy < 0.00003537 Ry\n\n iteration #214 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 910.2 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00004239 Ry\n\n iteration #215 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 914.4 secs\n\n total energy = -1318.69595621 Ry\n estimated scf accuracy < 0.00005657 Ry\n\n iteration #216 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.623E-02 0.000E+00\n\n total cpu time spent up to now is 918.6 secs\n\n total energy = -1318.69595651 Ry\n estimated scf accuracy < 0.00004501 Ry\n\n iteration #217 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.645E-02 0.000E+00\n\n total cpu time spent up to now is 922.7 secs\n\n total energy = -1318.69595384 Ry\n estimated scf accuracy < 0.00003910 Ry\n\n iteration #218 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 3.0\n\n negative rho (up, down): 2.688E-02 0.000E+00\n\n total cpu time spent up to now is 927.0 secs\n\n total energy = -1318.69585668 Ry\n estimated scf accuracy < 0.73481650 Ry\n\n iteration #219 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.653E-02 0.000E+00\n\n total cpu time spent up to now is 931.3 secs\n\n total energy = -1318.69595605 Ry\n estimated scf accuracy < 0.00003422 Ry\n\n iteration #220 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.637E-02 0.000E+00\n\n total cpu time spent up to now is 935.5 secs\n\n total energy = -1318.69595618 Ry\n estimated scf accuracy < 0.00003366 Ry\n\n iteration #221 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.629E-02 0.000E+00\n\n total cpu time spent up to now is 939.6 secs\n\n total energy = -1318.69595629 Ry\n estimated scf accuracy < 0.00003235 Ry\n\n iteration #222 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 943.8 secs\n\n total energy = -1318.69595638 Ry\n estimated scf accuracy < 0.00003117 Ry\n\n iteration #223 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.624E-02 0.000E+00\n\n total cpu time spent up to now is 948.0 secs\n\n total energy = -1318.69595653 Ry\n estimated scf accuracy < 0.00003095 Ry\n\n iteration #224 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.624E-02 0.000E+00\n\n total cpu time spent up to now is 952.1 secs\n\n total energy = -1318.69595661 Ry\n estimated scf accuracy < 0.00002913 Ry\n\n iteration #225 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.624E-02 0.000E+00\n\n total cpu time spent up to now is 956.3 secs\n\n total energy = -1318.69595667 Ry\n estimated scf accuracy < 0.00002935 Ry\n\n iteration #226 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.624E-02 0.000E+00\n\n total cpu time spent up to now is 960.5 secs\n\n total energy = -1318.69595666 Ry\n estimated scf accuracy < 0.00002965 Ry\n\n iteration #227 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 964.7 secs\n\n total energy = -1318.69595440 Ry\n estimated scf accuracy < 0.00002906 Ry\n\n iteration #228 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.690E-02 0.000E+00\n\n total cpu time spent up to now is 969.2 secs\n\n total energy = -1318.69583295 Ry\n estimated scf accuracy < 0.74031601 Ry\n\n iteration #229 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.655E-02 0.000E+00\n\n total cpu time spent up to now is 973.7 secs\n\n total energy = -1318.69595641 Ry\n estimated scf accuracy < 0.00002749 Ry\n\n iteration #230 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.638E-02 0.000E+00\n\n total cpu time spent up to now is 977.9 secs\n\n total energy = -1318.69595642 Ry\n estimated scf accuracy < 0.00002843 Ry\n\n iteration #231 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.631E-02 0.000E+00\n\n total cpu time spent up to now is 982.1 secs\n\n total energy = -1318.69595633 Ry\n estimated scf accuracy < 0.00002800 Ry\n\n iteration #232 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 986.2 secs\n\n total energy = -1318.69595650 Ry\n estimated scf accuracy < 0.00002668 Ry\n\n iteration #233 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 990.4 secs\n\n total energy = -1318.69595652 Ry\n estimated scf accuracy < 0.00002823 Ry\n\n iteration #234 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 994.6 secs\n\n total energy = -1318.69595650 Ry\n estimated scf accuracy < 0.00002814 Ry\n\n iteration #235 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.624E-02 0.000E+00\n\n total cpu time spent up to now is 998.8 secs\n\n total energy = -1318.69595680 Ry\n estimated scf accuracy < 0.00002774 Ry\n\n iteration #236 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 1003.0 secs\n\n total energy = -1318.69595529 Ry\n estimated scf accuracy < 0.00002994 Ry\n\n iteration #237 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.693E-02 0.000E+00\n\n total cpu time spent up to now is 1007.1 secs\n\n total energy = -1318.69603704 Ry\n estimated scf accuracy < 0.72358853 Ry\n\n iteration #238 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 1011.3 secs\n\n total energy = -1318.69604142 Ry\n estimated scf accuracy < 0.72371478 Ry\n\n iteration #239 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.926E-02 0.000E+00\n\n total cpu time spent up to now is 1015.4 secs\n\n total energy = -1318.69599239 Ry\n estimated scf accuracy < 0.72375323 Ry\n\n iteration #240 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.019E-02 0.000E+00\n\n total cpu time spent up to now is 1019.6 secs\n\n total energy = -1318.69598363 Ry\n estimated scf accuracy < 0.72213348 Ry\n\n iteration #241 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.091E-02 0.000E+00\n\n total cpu time spent up to now is 1023.8 secs\n\n total energy = -1318.69594863 Ry\n estimated scf accuracy < 0.72169289 Ry\n\n iteration #242 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.861E-02 0.000E+00\n\n total cpu time spent up to now is 1028.0 secs\n\n total energy = -1318.69595717 Ry\n estimated scf accuracy < 0.00066012 Ry\n\n iteration #243 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.966E-02 0.000E+00\n\n total cpu time spent up to now is 1032.2 secs\n\n total energy = -1318.69596776 Ry\n estimated scf accuracy < 0.72382780 Ry\n\n iteration #244 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.049E-02 0.000E+00\n\n total cpu time spent up to now is 1036.3 secs\n\n total energy = -1318.69588132 Ry\n estimated scf accuracy < 0.72459266 Ry\n\n iteration #245 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.839E-02 0.000E+00\n\n total cpu time spent up to now is 1040.5 secs\n\n total energy = -1318.69595741 Ry\n estimated scf accuracy < 0.00002939 Ry\n\n iteration #246 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.731E-02 0.000E+00\n\n total cpu time spent up to now is 1044.6 secs\n\n total energy = -1318.69595677 Ry\n estimated scf accuracy < 0.00003500 Ry\n\n iteration #247 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.678E-02 0.000E+00\n\n total cpu time spent up to now is 1048.8 secs\n\n total energy = -1318.69595616 Ry\n estimated scf accuracy < 0.00008687 Ry\n\n iteration #248 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.675E-02 0.000E+00\n\n total cpu time spent up to now is 1052.9 secs\n\n total energy = -1318.69595651 Ry\n estimated scf accuracy < 0.05322525 Ry\n\n iteration #249 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.763E-02 0.000E+00\n\n total cpu time spent up to now is 1057.1 secs\n\n total energy = -1318.69595923 Ry\n estimated scf accuracy < 0.52140512 Ry\n\n iteration #250 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.877E-02 0.000E+00\n\n total cpu time spent up to now is 1061.3 secs\n\n total energy = -1318.69597031 Ry\n estimated scf accuracy < 0.71256689 Ry\n\n End of self-consistent calculation\n\n convergence NOT achieved after 250 iterations: stopping\n\n Writing config to output data dir ./tmp/calc.save/ :\n XML data file, charge density distributed wavefunctions\n \n init_run : 7.09s CPU 9.03s WALL ( 1 calls)\n electrons : 997.81s CPU 1052.02s WALL ( 1 calls)\n\n Called by init_run:\n wfcinit : 0.04s CPU 0.12s WALL ( 1 calls)\n potinit : 2.00s CPU 2.66s WALL ( 1 calls)\n hinit0 : 3.21s CPU 3.72s WALL ( 1 calls)\n\n Called by electrons:\n c_bands : 116.88s CPU 117.06s WALL ( 251 calls)\n sum_band : 96.05s CPU 96.26s WALL ( 251 calls)\n v_of_rho : 101.94s CPU 126.05s WALL ( 251 calls)\n newd : 122.05s CPU 122.14s WALL ( 251 calls)\n PAW_pot : 142.39s CPU 142.45s WALL ( 251 calls)\n mix_rho : 188.90s CPU 189.32s WALL ( 251 calls)\n energy_dftd3 : 0.00s CPU 0.00s WALL ( 1 calls)\n\n Called by c_bands:\n init_us_2 : 3.39s CPU 3.40s WALL ( 502 calls)\n regterg : 107.31s CPU 107.46s WALL ( 251 calls)\n\n Called by *egterg:\n rdiaghg : 1.74s CPU 1.81s WALL ( 538 calls)\n 1.81s GPU ( 538 calls)\n h_psi : 92.34s CPU 92.44s WALL ( 540 calls)\n s_psi : 0.63s CPU 0.63s WALL ( 540 calls)\n g_psi : 0.35s CPU 0.35s WALL ( 289 calls)\n\n Called by h_psi:\n h_psi:calbec : 0.05s CPU 0.05s WALL ( 540 calls)\n vloc_psi : 85.79s CPU 85.88s WALL ( 540 calls)\n 85.87s GPU ( 540 calls)\n add_vuspsi : 3.15s CPU 3.15s WALL ( 540 calls)\n\n General routines\n calbec : 0.06s CPU 0.06s WALL ( 791 calls)\n fft : 119.00s CPU 126.37s WALL ( 2763 calls)\n 7.43s GPU ( 2512 calls)\n ffts : 37.06s CPU 69.82s WALL ( 31252 calls)\n 33.14s GPU ( 31001 calls)\n fftw : 0.28s CPU 81.35s WALL ( 18150 calls)\n 81.21s GPU ( 18150 calls)\n interpolate : 185.54s CPU 214.80s WALL ( 251 calls)\n davcio : 0.00s CPU 0.26s WALL ( 20 calls)\n \n \n PWSCF : 16m45.59s CPU 17m42.14s WALL\n\n \n This run was terminated on: 9: 2:51 30Jul2026 \n\n=------------------------------------------------------------------------------=\n JOB DONE.\n=------------------------------------------------------------------------------=\n","output_type":"stream"}],"execution_count":15},{"cell_type":"markdown","source":"Runs phonon calculations once phonpy has made the supercells.","metadata":{}},{"cell_type":"code","source":"import glob\nimport os\nimport re\n\n# 1. Sort all supercell files numerically\nall_files = glob.glob('supercell-*.in')\nall_files.sort(key=lambda f: int(re.sub(r'\\D', '', f)))\n\n# 2. Filter list to stop at 90\ntarget_files = []\nfor f in all_files:\n match = re.search(r'-(\\d+)\\.', f)\n if match and int(match.group(1)) <= 90:\n target_files.append(f)\n\n# 3. Create the parallel worker script\n# Rank 0 processes indices 0, 2, 4... Rank 1 processes indices 1, 3, 5...\nwith open(\"run_parallel.sh\", \"w\") as f:\n f.write(\"#!/bin/bash\\n\")\n f.write(\"export CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\\n\")\n f.write(\"RANK=${OMPI_COMM_WORLD_LOCAL_RANK}\\n\")\n f.write(\"SIZE=${OMPI_COMM_WORLD_LOCAL_SIZE}\\n\")\n f.write(\"FILES=(\\\"$@\\\")\\n\\n\")\n \n f.write(\"for (( i=$RANK; i<${#FILES[@]}; i+=$SIZE )); do\\n\")\n f.write(\" IN_FILE=${FILES[$i]}\\n\")\n f.write(\" OUT_FILE=\\\"${IN_FILE%.in}.out\\\"\\n\")\n \n # Skip if output already exists and isn't empty\n f.write(\" if [ -s \\\"$OUT_FILE\\\" ]; then\\n\")\n f.write(\" echo \\\"Rank $RANK: Skipping $IN_FILE (already done)\\\"\\n\")\n f.write(\" continue\\n\")\n f.write(\" fi\\n\\n\")\n \n # Isolated work directory to prevent GPU scratch-file collisions\n f.write(\" WORKDIR=\\\"work_rank_${RANK}_idx_${i}\\\"\\n\")\n f.write(\" mkdir -p $WORKDIR && cp $IN_FILE $WORKDIR/in.in\\n\")\n \n f.write(\" echo \\\"Rank $RANK: Starting $IN_FILE on GPU $RANK\\\"\\n\")\n # Execute pw.x\n f.write(\" /kaggle/working/q-e-qe-7.5/bin/pw.x -in $WORKDIR/in.in > $OUT_FILE\\n\")\n \n f.write(\" rm -rf $WORKDIR\\n\")\n f.write(\"done\\n\")\n\n!chmod +x run_parallel.sh\n\n# 4. Launch the two workers\nfiles_str = \" \".join(target_files)\n!mpirun --allow-run-as-root -np 2 --bind-to none ./run_parallel.sh {files_str}","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T05:43:14.535405Z","iopub.execute_input":"2026-07-30T05:43:14.536231Z","iopub.status.idle":"2026-07-30T05:43:20.292619Z","shell.execute_reply.started":"2026-07-30T05:43:14.536201Z","shell.execute_reply":"2026-07-30T05:43:20.291612Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Rank 0: Starting supercell-001.in on GPU 0\nRank 1: Starting supercell-002.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-004.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-006.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-008.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-010.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-012.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-014.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-016.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-018.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-020.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-022.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-024.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-026.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-028.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-030.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-032.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-034.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-036.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-038.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-040.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-042.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-044.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-046.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-048.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-050.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-052.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-054.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-056.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-058.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-060.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-062.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-064.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-066.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-068.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-070.in on GPU 1\n^C\n","output_type":"stream"}],"execution_count":47},{"cell_type":"markdown","source":"## 6.(Optional) In case .in files not present and only .xyz file available ","metadata":{}},{"cell_type":"markdown","source":"Run this if you have .in files and need ld1.x to run to create a .upf file.","metadata":{}},{"cell_type":"code","source":"'''!cd /kaggle/working/q-e-qe-7.5/bin\n!make ld1 -j2'''\n!cd /kaggle/input/datasets/pcsciprav/actinide-basis-set-rel/fully-relativistic-basis\n!../q-e-qe-7.2/bin/ld1.x < /kaggle/input/datasets/pcsciprav/actinide-basis-set-rel/fully-relativistic-basis/pu.in > pu.out\n# Change the .in and .out file names to match the input .in file name. Use the same .out name.","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.157572Z","iopub.status.idle":"2026-07-30T04:56:14.157789Z","shell.execute_reply.started":"2026-07-30T04:56:14.157683Z","shell.execute_reply":"2026-07-30T04:56:14.157696Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Change the link to any pseudopotential file as an alternative to ld1.","metadata":{}},{"cell_type":"code","source":"!wget https://pseudopotentials.quantum-espresso.org/upf_files/V.pbe-spnl-kjpaw_psl.1.0.0.UPF\n#!wget https://pseudopotentials.quantum-espresso.org/upf_files/N.rel-pz-n-kjpaw_psl.1.0.0.UPF\n#!wget https://pseudopotentials.quantum-espresso.org/upf_files/F.rel-pbe-n-kjpaw_psl.0.1.UPF","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.158995Z","iopub.status.idle":"2026-07-30T04:56:14.159426Z","shell.execute_reply.started":"2026-07-30T04:56:14.159245Z","shell.execute_reply":"2026-07-30T04:56:14.159260Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Run this snippet first and ensure persistence is set to files or variables and files.","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > relaxed.xyz << EOF\n37\nempty space\nN 12.1526494309 9.1674866038 10.4272563978\nN 11.4556314360 8.3476721009 9.3724563712\nN 10.4085781859 8.9452001098 8.5765180226\nO 10.2718526399 8.5017884604 7.4532391213\nO 9.7165347183 9.7856141721 9.1645407217\nC 12.4249924461 7.5512921343 8.6491909387\nN 12.3702088750 6.0774299018 9.0416975744\nF 12.3651994415 6.0966380513 10.4762292065\nF 11.0347403005 5.7357188652 8.7231338902\nN 13.6803020212 8.1067563575 9.0597910569\nN 14.9143945600 7.5915401914 8.5478214130\nO 14.8418348346 7.0599920707 7.4641294751\nO 15.8908227803 7.8059543669 9.2625250951\nC 13.6191085175 8.7986737271 10.3319536904\nN 14.4123982432 9.9862081067 10.2751810138\nN 15.1820962259 10.3904754986 11.4987542363\nO 15.3867765738 9.4574763928 12.2835028369\nO 15.5198099804 11.5399805161 11.5490879344\nN 14.0393168409 11.0094227759 9.4536088887\nN 14.3915092640 10.8151655952 8.1150041787\nN 15.8238564951 11.7189776386 7.7206688030\nO 16.2039464129 11.5410874101 6.6569448982\nO 16.2484003472 12.3177377991 8.7208363225\nC 13.3094948299 11.3213443707 7.3148945555\nO 13.3548076343 11.5872872584 6.1319814536\nN 12.1875870461 11.4251007934 8.1905011705\nN 11.0403487451 12.3402843540 7.8805557499\nO 10.6992813133 12.2754963153 6.6336760936\nO 10.5998662926 12.9372978941 8.7366123765\nC 12.6053676196 11.4456388964 9.5951713605\nN 11.9308304378 10.4873601424 10.4297571300\nN 11.2185731431 10.9876765605 11.6973738104\nO 11.1975901142 12.2190320519 11.7972567452\nO 10.7721324670 10.1342543880 12.3984061151\nH 12.2632373397 7.5632546198 7.5732547189\nH 13.9283703285 8.1927228731 11.1913993381\nH 12.4939621172 12.4291206357 10.0484672950\nEOF","metadata":{"trusted":true,"jupyter":{"source_hidden":true,"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-07-30T04:56:14.160926Z","iopub.status.idle":"2026-07-30T04:56:14.161301Z","shell.execute_reply.started":"2026-07-30T04:56:14.161113Z","shell.execute_reply":"2026-07-30T04:56:14.161135Z"},"collapsed":true},"outputs":[],"execution_count":null},{"cell_type":"code","source":"import os\nimport shutil\nimport requests\n\nPSEUDO_DIR = \"pseudo\"\nos.makedirs(PSEUDO_DIR, exist_ok=True)\nBASE_URL = \"https://pseudopotentials.quantum-espresso.org/upf_files/\"\n\nmanual_pseudos = {\n #'V': '/kaggle/working/q-e-qe-7.5/V.pbe-spnl-kjpaw_psl.1.0.0.UPF'\n}\n\nmasses = {\n 'U': 238.03,\n 'Pu': 244.06,\n 'Au': 196.966570,\n 'Fr': 223,\n 'Cs': 132.91,\n 'N': 14.007,\n 'Nd': 144.242,\n 'Tc': 97.907,\n 'As': 74.9216,\n 'O': 16,\n 'C': 12,\n 'Os': 190.23,\n 'Pt': 198.9705762,\n 'Hg': 200.59,\n 'F': 18.998\n}\n\nhubbard_u = {\n #'U': 3.0\n}\n\ndef find_pseudo(element):\n return [\n f\"{element}.pbe-spn-kjpaw_psl.1.0.0.UPF\",\n f\"{element}.pbe-n-kjpaw_psl.1.0.0.UPF\",\n f\"{element}.pbe-kjpaw_psl.1.0.0.UPF\",\n ]\n\ndef try_download(element):\n for name in find_pseudo(element):\n path = os.path.join(PSEUDO_DIR, name)\n\n if os.path.exists(path):\n print(f\"Using existing pseudo: {path}\")\n return name\n\n url = BASE_URL + name\n try:\n r = requests.get(url, timeout=30)\n if r.status_code == 200 and len(r.content) > 0:\n with open(path, \"wb\") as f:\n f.write(r.content)\n print(f\"Downloaded {name}\")\n return name\n except Exception as e:\n print(f\"Could not download {name}: {e}\")\n\n return None\n\ndef install_manual_pseudo(element):\n src = manual_pseudos[element]\n if not os.path.exists(src):\n raise FileNotFoundError(f\"Manual pseudopotential for {element} not found: {src}\")\n\n filename = os.path.basename(src)\n dst = os.path.join(PSEUDO_DIR, filename)\n\n if not os.path.exists(dst):\n shutil.copyfile(src, dst)\n print(f\"Copied manual pseudo for {element} to {dst}\")\n else:\n print(f\"Using existing copied pseudo for {element}: {dst}\")\n\n return filename\n\ndef download_pseudo(element):\n if element in manual_pseudos:\n return install_manual_pseudo(element)\n\n result = try_download(element)\n if result:\n return result\n\n raise Exception(f\"No pseudopotential found for {element}\")\n\ndef xyz_to_qe(xyz_file, output=\"input.in\"):\n with open(xyz_file, \"r\", encoding=\"utf-8\") as f:\n lines = f.readlines()\n\n nat = int(lines[0].strip())\n coords = lines[2:2 + nat]\n\n atoms = []\n species_ordered = []\n\n for line in coords:\n parts = line.split()\n if len(parts) < 4:\n raise ValueError(f\"Invalid XYZ line: {line!r}\")\n el, x, y, z = parts[:4]\n x = float(x) + 10.0\n y = float(y) + 10.0\n z = float(z) + 10.0\n atoms.append((el, x, y, z))\n if el not in species_ordered:\n species_ordered.append(el)\n\n pseudo_map = {}\n for el in species_ordered:\n pseudo_map[el] = download_pseudo(el)\n\n with open(output, \"w\", encoding=\"ascii\", newline=\"\\n\") as f:\n # CONTROL\n f.write(\"&CONTROL\\n\")\n f.write(\" calculation = 'relax'\\n\") # Either keep it as relax or scf\n f.write(\" restart_mode='restart'\\n\")\n f.write(\" pseudo_dir = './pseudo/'\\n\")\n f.write(\" outdir = './tmp/'\\n\")\n f.write(\" prefix = 'calc'\\n\")\n f.write(\" tprnfor = .true.\\n\") # Remove this and the line below if forces for phonons not needed\n f.write(\" tstress = .true.\\n\")\n f.write(\"/\\n\\n\")\n\n # SYSTEM\n f.write(\"&SYSTEM\\n\")\n f.write(f\" nat = {nat}\\n\")\n f.write(f\" ntyp = {len(species_ordered)}\\n\")\n f.write(\" ecutwfc = 45\\n\")\n #f.write(\" tot_charge = 1\\n\") #Remove comment if using charged body\n f.write(\" ecutrho = 360\\n\")\n f.write(\" nbnd = 112\\n\")\n f.write(\" input_dft = 'PBE'\\n\")\n f.write(\" occupations = 'fixed'\\n\")\n #f.write(\" smearing = 'gaussian'\\n\")\n #f.write(\" degauss = 0.005\\n\")\n f.write(\" vdw_corr = 'grimme-d3'\\n\")\n f.write(\" dftd3_version = 4\\n\")\n f.write(\" dftd3_threebody = .false.\\n\")\n f.write(\" assume_isolated = 'mt'\\n\")\n f.write(\" ibrav = 0\\n\")\n f.write(\" nosym = .true.\\n\")\n f.write(\" noinv = .true.\\n\")\n f.write(\" noncolin = .false.\\n\")\n f.write(\" lspinorb = .false.\\n\")\n f.write(\"/\\n\\n\")\n\n # ELECTRONS\n f.write(\"&ELECTRONS\\n\")\n f.write(\" conv_thr = 1.0d-8\\n\")\n f.write(\" mixing_beta = 0.3\\n\")\n f.write(\" mixing_mode = 'local-TF'\\n\")\n f.write(\" electron_maxstep = 250\\n\")\n f.write(\"/\\n\\n\")\n \n # IONS\n # Use only when running calculation = relax, otherwise comment it out. Change damp to bfgs if the system is fairly stable.\n f.write(\"&IONS\\n\")\n f.write(\" ion_dynamics = 'bfgs'\\n\")\n f.write(\" trust_radius_ini = 0.10\\n\") # Lower for unstable systems\n f.write(\" trust_radius_max = 0.20\\n\") # Lower for unstable systems\n #f.write(\" upscale = 0.5\\n\")\n f.write(\"/\\n\\n\")\n\n # ATOMIC_SPECIES\n f.write(\"ATOMIC_SPECIES\\n\")\n for el in species_ordered:\n mass = masses.get(el, 1.0)\n pseudo_filename = pseudo_map[el]\n f.write(f\"{el:>3} {mass:10.5f} {pseudo_filename}\\n\")\n \n # ATOMIC_POSITIONS\n f.write(\"\\nATOMIC_POSITIONS angstrom\\n\")\n for el, x, y, z in atoms:\n f.write(f\"{el:>3} {x} {y} {z}\\n\")\n \n # CELL PARAMETERS ANGSTROMS\n f.write(\"\\nCELL_PARAMETERS angstrom\\n\")\n f.write(\"20.0 0.0 0.0\\n\")\n f.write(\"0.0 20.0 0.0\\n\")\n f.write(\"0.0 0.0 20.0\\n\")\n\n # K_POINTS\n f.write(\"\\nK_POINTS gamma\\n\")\n #f.write(\"1 1 1 0 0 0\\n\")\n\n # HUBBARD\n has_hubbard = any(el in hubbard_u for el in species_ordered)\n if has_hubbard:\n f.write(\"\\nHUBBARD ortho-atomic\\n\")\n for el in species_ordered:\n if el in hubbard_u:\n f.write(f\"U {el}-5f {hubbard_u[el]}\\n\")\n\n print(f\"QE input ready: {output}\")\n print(\"Pseudopotentials used:\")\n for el in species_ordered:\n print(f\" {el} -> {pseudo_map[el]}\")\n\nxyz_to_qe(\"/kaggle/input/datasets/pcsciprav/personal-project-molecules/Molecules_screening/C2N22O16.xyz\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T08:20:06.153280Z","iopub.execute_input":"2026-07-30T08:20:06.153675Z","iopub.status.idle":"2026-07-30T08:20:08.472082Z","shell.execute_reply.started":"2026-07-30T08:20:06.153644Z","shell.execute_reply":"2026-07-30T08:20:08.471488Z"}},"outputs":[{"name":"stdout","text":"Using existing pseudo: pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF\nUsing existing pseudo: pseudo/C.pbe-n-kjpaw_psl.1.0.0.UPF\nUsing existing pseudo: pseudo/O.pbe-n-kjpaw_psl.1.0.0.UPF\nQE input ready: input.in\nPseudopotentials used:\n N -> N.pbe-n-kjpaw_psl.1.0.0.UPF\n C -> C.pbe-n-kjpaw_psl.1.0.0.UPF\n O -> O.pbe-n-kjpaw_psl.1.0.0.UPF\n","output_type":"stream"}],"execution_count":11},{"cell_type":"markdown","source":"Clones input.in to the supercell.in for running parallel finite displacement phonons.","metadata":{}},{"cell_type":"code","source":"import glob\n\n# 1. Read your baseline file and split it in half around the coordinates\nwith open('input.in', 'r') as f:\n baseline_lines = f.readlines()\n\npre_positions = []\npost_positions = []\nis_positions_block = False\npassed_positions = False\n\n# These keywords tell the script when the position block ends\nqe_keywords = ['&CONTROL', '&SYSTEM', '&ELECTRONS', '&IONS', '&CELL', \n 'K_POINTS', 'CELL_PARAMETERS', 'ATOMIC_SPECIES']\n\nfor line in baseline_lines:\n line_upper = line.strip().upper()\n \n if line_upper.startswith('ATOMIC_POSITIONS'):\n is_positions_block = True\n continue\n \n if is_positions_block:\n if any(line_upper.startswith(kw) for kw in qe_keywords):\n is_positions_block = False\n passed_positions = True\n post_positions.append(line)\n continue\n \n if not is_positions_block:\n if not passed_positions:\n pre_positions.append(line)\n else:\n post_positions.append(line)\n\n# 2. Extract the nudged coordinates from Phonopy's files\nfor target_file in glob.glob('supercell-*.in'):\n with open(target_file, 'r') as f:\n target_lines = f.readlines()\n \n new_positions = []\n in_target_pos = False\n \n for line in target_lines:\n line_upper = line.strip().upper()\n \n if line_upper.startswith('ATOMIC_POSITIONS'):\n in_target_pos = True\n new_positions.append(line)\n continue\n \n if in_target_pos:\n if any(line_upper.startswith(kw) for kw in qe_keywords):\n break\n if line.strip(): # Keep the coordinate lines\n new_positions.append(line)\n\n # 3. Sandwich the new coordinates inside your original baseline settings\n if new_positions:\n with open(target_file, 'w') as f:\n f.writelines(pre_positions)\n f.write(\"\\n\")\n f.writelines(new_positions)\n f.write(\"\\n\")\n f.writelines(post_positions)\n print(f\"Successfully applied baseline settings to: {target_file}\")\n else:\n print(f\"Skipped: Could not find coordinates in {target_file}\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T05:43:03.941778Z","iopub.execute_input":"2026-07-30T05:43:03.942542Z","iopub.status.idle":"2026-07-30T05:43:04.004168Z","shell.execute_reply.started":"2026-07-30T05:43:03.942505Z","shell.execute_reply":"2026-07-30T05:43:04.003439Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Successfully applied baseline settings to: supercell-086.in\nSuccessfully applied baseline settings to: supercell-240.in\nSuccessfully applied baseline settings to: supercell-136.in\nSuccessfully applied baseline settings to: supercell-141.in\nSuccessfully applied baseline settings to: supercell-074.in\nSuccessfully applied baseline settings to: supercell-138.in\nSuccessfully applied baseline settings to: supercell-163.in\nSuccessfully applied baseline settings to: supercell-014.in\nSuccessfully applied baseline settings to: supercell-076.in\nSuccessfully applied baseline settings to: supercell-028.in\nSuccessfully applied baseline settings to: supercell-005.in\nSuccessfully applied baseline settings to: supercell-095.in\nSuccessfully applied baseline settings to: supercell-195.in\nSuccessfully applied baseline settings to: supercell-228.in\nSuccessfully applied baseline settings to: supercell-104.in\nSuccessfully applied baseline settings to: supercell-023.in\nSuccessfully applied baseline settings to: supercell-099.in\nSuccessfully applied baseline settings to: supercell-015.in\nSuccessfully applied baseline settings to: supercell-219.in\nSuccessfully applied baseline settings to: supercell-008.in\nSuccessfully applied baseline settings to: supercell-152.in\nSuccessfully applied baseline settings to: supercell-165.in\nSuccessfully applied baseline settings to: supercell-022.in\nSuccessfully applied baseline settings to: supercell-058.in\nSuccessfully applied baseline settings to: supercell-042.in\nSuccessfully applied baseline settings to: supercell-210.in\nSuccessfully applied baseline settings to: supercell-020.in\nSuccessfully applied baseline settings to: supercell-043.in\nSuccessfully applied baseline settings to: supercell-154.in\nSuccessfully applied baseline settings to: supercell-064.in\nSuccessfully applied baseline settings to: supercell-109.in\nSuccessfully applied baseline settings to: supercell-075.in\nSuccessfully applied baseline settings to: supercell-191.in\nSuccessfully applied baseline settings to: supercell-091.in\nSuccessfully applied baseline settings to: supercell-168.in\nSuccessfully applied baseline settings to: supercell-197.in\nSuccessfully applied baseline settings to: supercell-182.in\nSuccessfully applied baseline settings to: supercell-083.in\nSuccessfully applied baseline settings to: supercell-133.in\nSuccessfully applied baseline settings to: supercell-038.in\nSuccessfully applied baseline settings to: supercell-106.in\nSuccessfully applied baseline settings to: supercell-230.in\nSuccessfully applied baseline settings to: supercell-019.in\nSuccessfully applied baseline settings to: supercell-030.in\nSuccessfully applied baseline settings to: supercell-202.in\nSuccessfully applied baseline settings to: supercell-218.in\nSuccessfully applied baseline settings to: supercell-062.in\nSuccessfully applied baseline settings to: supercell-147.in\nSuccessfully applied baseline settings to: supercell-115.in\nSuccessfully applied baseline settings to: supercell-073.in\nSuccessfully applied baseline settings to: supercell-072.in\nSuccessfully applied baseline settings to: supercell-235.in\nSuccessfully applied baseline settings to: supercell-236.in\nSuccessfully applied baseline settings to: supercell-135.in\nSuccessfully applied baseline settings to: supercell-082.in\nSuccessfully applied baseline settings to: supercell-009.in\nSuccessfully applied baseline settings to: supercell-114.in\nSuccessfully applied baseline settings to: supercell-229.in\nSuccessfully applied baseline settings to: supercell-186.in\nSuccessfully applied baseline settings to: supercell-101.in\nSuccessfully applied baseline settings to: supercell-208.in\nSuccessfully applied baseline settings to: supercell-227.in\nSuccessfully applied baseline settings to: supercell-097.in\nSuccessfully applied baseline settings to: supercell-048.in\nSuccessfully applied baseline settings to: supercell-035.in\nSuccessfully applied baseline settings to: supercell-051.in\nSuccessfully applied baseline settings to: supercell-011.in\nSuccessfully applied baseline settings to: supercell-003.in\nSuccessfully applied baseline settings to: supercell-029.in\nSuccessfully applied baseline settings to: supercell-126.in\nSuccessfully applied baseline settings to: supercell-180.in\nSuccessfully applied baseline settings to: supercell-178.in\nSuccessfully applied baseline settings to: supercell-093.in\nSuccessfully applied baseline settings to: supercell-225.in\nSuccessfully applied baseline settings to: supercell-207.in\nSuccessfully applied baseline settings to: supercell-139.in\nSuccessfully applied baseline settings to: supercell-039.in\nSuccessfully applied baseline settings to: supercell-145.in\nSuccessfully applied baseline settings to: supercell-078.in\nSuccessfully applied baseline settings to: supercell-103.in\nSuccessfully applied baseline settings to: supercell-070.in\nSuccessfully applied baseline settings to: supercell-012.in\nSuccessfully applied baseline settings to: supercell-045.in\nSuccessfully applied baseline settings to: supercell-128.in\nSuccessfully applied baseline settings to: supercell-143.in\nSuccessfully applied baseline settings to: supercell-164.in\nSuccessfully applied baseline settings to: supercell-066.in\nSuccessfully applied baseline settings to: supercell-094.in\nSuccessfully applied baseline settings to: supercell-158.in\nSuccessfully applied baseline settings to: supercell-212.in\nSuccessfully applied baseline settings to: supercell-198.in\nSuccessfully applied baseline settings to: supercell-169.in\nSuccessfully applied baseline settings to: supercell-055.in\nSuccessfully applied baseline settings to: supercell-033.in\nSuccessfully applied baseline settings to: supercell-071.in\nSuccessfully applied baseline settings to: supercell-087.in\nSuccessfully applied baseline settings to: supercell-148.in\nSuccessfully applied baseline settings to: supercell-118.in\nSuccessfully applied baseline settings to: supercell-216.in\nSuccessfully applied baseline settings to: supercell-084.in\nSuccessfully applied baseline settings to: supercell-237.in\nSuccessfully applied baseline settings to: supercell-077.in\nSuccessfully applied baseline settings to: supercell-129.in\nSuccessfully applied baseline settings to: supercell-079.in\nSuccessfully applied baseline settings to: supercell-053.in\nSuccessfully applied baseline settings to: supercell-124.in\nSuccessfully applied baseline settings to: supercell-036.in\nSuccessfully applied baseline settings to: supercell-215.in\nSuccessfully applied baseline settings to: supercell-239.in\nSuccessfully applied baseline settings to: supercell-214.in\nSuccessfully applied baseline settings to: supercell-217.in\nSuccessfully applied baseline settings to: supercell-234.in\nSuccessfully applied baseline settings to: supercell-131.in\nSuccessfully applied baseline settings to: supercell-144.in\nSuccessfully applied baseline settings to: supercell-067.in\nSuccessfully applied baseline settings to: supercell-046.in\nSuccessfully applied baseline settings to: supercell-192.in\nSuccessfully applied baseline settings to: supercell-105.in\nSuccessfully applied baseline settings to: supercell-065.in\nSuccessfully applied baseline settings to: supercell-037.in\nSuccessfully applied baseline settings to: supercell-121.in\nSuccessfully applied baseline settings to: supercell-159.in\nSuccessfully applied baseline settings to: supercell-111.in\nSuccessfully applied baseline settings to: supercell-200.in\nSuccessfully applied baseline settings to: supercell-119.in\nSuccessfully applied baseline settings to: supercell-113.in\nSuccessfully applied baseline settings to: supercell-176.in\nSuccessfully applied baseline settings to: supercell-050.in\nSuccessfully applied baseline settings to: supercell-179.in\nSuccessfully applied baseline settings to: supercell-117.in\nSuccessfully applied baseline settings to: supercell-166.in\nSuccessfully applied baseline settings to: supercell-177.in\nSuccessfully applied baseline settings to: supercell-224.in\nSuccessfully applied baseline settings to: supercell-222.in\nSuccessfully applied baseline settings to: supercell-149.in\nSuccessfully applied baseline settings to: supercell-102.in\nSuccessfully applied baseline settings to: supercell-206.in\nSuccessfully applied baseline settings to: supercell-220.in\nSuccessfully applied baseline settings to: supercell-155.in\nSuccessfully applied baseline settings to: supercell-161.in\nSuccessfully applied baseline settings to: supercell-024.in\nSuccessfully applied baseline settings to: supercell-089.in\nSuccessfully applied baseline settings to: supercell-002.in\nSuccessfully applied baseline settings to: supercell-231.in\nSuccessfully applied baseline settings to: supercell-108.in\nSuccessfully applied baseline settings to: supercell-189.in\nSuccessfully applied baseline settings to: supercell-031.in\nSuccessfully applied baseline settings to: supercell-098.in\nSuccessfully applied baseline settings to: supercell-112.in\nSuccessfully applied baseline settings to: supercell-173.in\nSuccessfully applied baseline settings to: supercell-153.in\nSuccessfully applied baseline settings to: supercell-172.in\nSuccessfully applied baseline settings to: supercell-096.in\nSuccessfully applied baseline settings to: supercell-201.in\nSuccessfully applied baseline settings to: supercell-187.in\nSuccessfully applied baseline settings to: supercell-057.in\nSuccessfully applied baseline settings to: supercell-088.in\nSuccessfully applied baseline settings to: supercell-061.in\nSuccessfully applied baseline settings to: supercell-181.in\nSuccessfully applied baseline settings to: supercell-142.in\nSuccessfully applied baseline settings to: supercell-193.in\nSuccessfully applied baseline settings to: supercell-040.in\nSuccessfully applied baseline settings to: supercell-021.in\nSuccessfully applied baseline settings to: supercell-132.in\nSuccessfully applied baseline settings to: supercell-209.in\nSuccessfully applied baseline settings to: supercell-032.in\nSuccessfully applied baseline settings to: supercell-203.in\nSuccessfully applied baseline settings to: supercell-090.in\nSuccessfully applied baseline settings to: supercell-150.in\nSuccessfully applied baseline settings to: supercell-146.in\nSuccessfully applied baseline settings to: supercell-044.in\nSuccessfully applied baseline settings to: supercell-211.in\nSuccessfully applied baseline settings to: supercell-162.in\nSuccessfully applied baseline settings to: supercell-041.in\nSuccessfully applied baseline settings to: supercell-213.in\nSuccessfully applied baseline settings to: supercell-006.in\nSuccessfully applied baseline settings to: supercell-059.in\nSuccessfully applied baseline settings to: supercell-018.in\nSuccessfully applied baseline settings to: supercell-151.in\nSuccessfully applied baseline settings to: supercell-157.in\nSuccessfully applied baseline settings to: supercell-056.in\nSuccessfully applied baseline settings to: supercell-016.in\nSuccessfully applied baseline settings to: supercell-049.in\nSuccessfully applied baseline settings to: supercell-183.in\nSuccessfully applied baseline settings to: supercell-171.in\nSuccessfully applied baseline settings to: supercell-085.in\nSuccessfully applied baseline settings to: supercell-010.in\nSuccessfully applied baseline settings to: supercell-123.in\nSuccessfully applied baseline settings to: supercell-174.in\nSuccessfully applied baseline settings to: supercell-013.in\nSuccessfully applied baseline settings to: supercell-233.in\nSuccessfully applied baseline settings to: supercell-122.in\nSuccessfully applied baseline settings to: supercell-025.in\nSuccessfully applied baseline settings to: supercell-188.in\nSuccessfully applied baseline settings to: supercell-026.in\nSuccessfully applied baseline settings to: supercell-223.in\nSuccessfully applied baseline settings to: supercell-054.in\nSuccessfully applied baseline settings to: supercell-175.in\nSuccessfully applied baseline settings to: supercell-196.in\nSuccessfully applied baseline settings to: supercell-226.in\nSuccessfully applied baseline settings to: supercell-081.in\nSuccessfully applied baseline settings to: supercell-238.in\nSuccessfully applied baseline settings to: supercell-184.in\nSuccessfully applied baseline settings to: supercell-221.in\nSuccessfully applied baseline settings to: supercell-125.in\nSuccessfully applied baseline settings to: supercell-205.in\nSuccessfully applied baseline settings to: supercell-080.in\nSuccessfully applied baseline settings to: supercell-160.in\nSuccessfully applied baseline settings to: supercell-194.in\nSuccessfully applied baseline settings to: supercell-052.in\nSuccessfully applied baseline settings to: supercell-001.in\nSuccessfully applied baseline settings to: supercell-120.in\nSuccessfully applied baseline settings to: supercell-069.in\nSuccessfully applied baseline settings to: supercell-092.in\nSuccessfully applied baseline settings to: supercell-127.in\nSuccessfully applied baseline settings to: supercell-017.in\nSuccessfully applied baseline settings to: supercell-027.in\nSuccessfully applied baseline settings to: supercell-156.in\nSuccessfully applied baseline settings to: supercell-060.in\nSuccessfully applied baseline settings to: supercell-167.in\nSuccessfully applied baseline settings to: supercell-107.in\nSuccessfully applied baseline settings to: supercell-130.in\nSuccessfully applied baseline settings to: supercell-134.in\nSuccessfully applied baseline settings to: supercell-137.in\nSuccessfully applied baseline settings to: supercell-190.in\nSuccessfully applied baseline settings to: supercell-232.in\nSuccessfully applied baseline settings to: supercell-047.in\nSuccessfully applied baseline settings to: supercell-004.in\nSuccessfully applied baseline settings to: supercell-034.in\nSuccessfully applied baseline settings to: supercell-100.in\nSuccessfully applied baseline settings to: supercell-170.in\nSuccessfully applied baseline settings to: supercell-204.in\nSuccessfully applied baseline settings to: supercell-068.in\nSuccessfully applied baseline settings to: supercell-110.in\nSuccessfully applied baseline settings to: supercell-140.in\nSuccessfully applied baseline settings to: supercell-199.in\nSuccessfully applied baseline settings to: supercell-116.in\nSuccessfully applied baseline settings to: supercell-007.in\nSuccessfully applied baseline settings to: supercell-185.in\nSuccessfully applied baseline settings to: supercell-063.in\n","output_type":"stream"}],"execution_count":46},{"cell_type":"code","source":"","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy-init -d --qe --dim=\"1 1 1\" -c input.in","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T05:42:55.027776Z","iopub.execute_input":"2026-07-30T05:42:55.028627Z","iopub.status.idle":"2026-07-30T05:42:56.056644Z","shell.execute_reply.started":"2026-07-30T05:42:55.028585Z","shell.execute_reply":"2026-07-30T05:42:56.055663Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":" _\n _ __ | |__ ___ _ __ ___ _ __ _ _\n | '_ \\| '_ \\ / _ \\| '_ \\ / _ \\ | '_ \\| | | |\n | |_) | | | | (_) | | | | (_) || |_) | |_| |\n | .__/|_| |_|\\___/|_| |_|\\___(_) .__/ \\__, |\n |_| |_| |___/\n 4.4.0\n\n-------------------------[time 2026-07-30 05:42:55]-------------------------\nRust backend (phonors) using rayon (4 threads).\nPython version 3.12.12\nSpglib version 2.7.0\n\nCalculator interface: qe\nCrystal structure was read from \"input.in\".\nUnit of length: au\nDisplacements creation mode\n Systematic displacements\nSettings:\n Supercell: [1 1 1]\n Primitive matrix:\n [1. 0. 0.]\n [0. 1. 0.]\n [0. 0. 1.]\nSpacegroup: P1 (1)\nNumber of symmetry operations in supercell: 1\nUse -v option to watch primitive cell, unit cell, and supercell structures.\n\nGenerated number of supercells: 240\n\"phonopy_disp.yaml\" and supercells have been created.\n\nSummary of calculation was written in \"phonopy_disp.yaml\".\n-------------------------[time 2026-07-30 05:42:55]-------------------------\n _\n ___ _ __ __| |\n / _ \\ '_ \\ / _` |\n | __/ | | | (_| |\n \\___|_| |_|\\__,_|\n\n","output_type":"stream"}],"execution_count":45},{"cell_type":"code","source":"!rm -rf supercell-*.in\n!rm -rf supercell.in","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.167206Z","iopub.status.idle":"2026-07-30T04:56:14.167525Z","shell.execute_reply.started":"2026-07-30T04:56:14.167322Z","shell.execute_reply":"2026-07-30T04:56:14.167335Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy --qe -f supercell-[0-9][0-9][0-9].out","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.168724Z","iopub.status.idle":"2026-07-30T04:56:14.169057Z","shell.execute_reply.started":"2026-07-30T04:56:14.168878Z","shell.execute_reply":"2026-07-30T04:56:14.168893Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!touch mesh.conf\nwith open(\"mesh.conf\", \"w\") as f:\n f.write(\"ATOM_NAME = C N F O H\\n\")\n f.write(\"DIM = 1 1 1\\n\")\n f.write(\"MESH = 1 1 1\\n\")\n f.write(\"FORCE_SETS = READ\\n\")\n\nprint(\"mesh.conf has been created successfully.\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.170369Z","iopub.status.idle":"2026-07-30T04:56:14.170708Z","shell.execute_reply.started":"2026-07-30T04:56:14.170534Z","shell.execute_reply":"2026-07-30T04:56:14.170556Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy --qe -c input.in -p mesh.conf","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.171828Z","iopub.status.idle":"2026-07-30T04:56:14.172188Z","shell.execute_reply.started":"2026-07-30T04:56:14.171999Z","shell.execute_reply":"2026-07-30T04:56:14.172020Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!cat mesh.yaml","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.173227Z","iopub.status.idle":"2026-07-30T04:56:14.173531Z","shell.execute_reply.started":"2026-07-30T04:56:14.173395Z","shell.execute_reply":"2026-07-30T04:56:14.173417Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Used to create molecular dynamics setup. Can be extremely sensitive.","metadata":{}},{"cell_type":"code","source":"def xyz_to_qe(xyz_file, output=\"input.in\", mode='cp'):\n with open(xyz_file, \"r\", encoding=\"utf-8\") as f:\n lines = f.readlines()\n\n nat = int(lines[0].strip())\n coords = lines[2:2 + nat]\n atoms = []\n species_ordered = []\n\n for line in coords:\n parts = line.split()\n el, x, y, z = parts[:4]\n atoms.append((el, float(x)+10.0, float(y)+10.0, float(z)+10.0))\n if el not in species_ordered: species_ordered.append(el)\n\n pseudo_map = {el: download_pseudo(el) for el in species_ordered}\n\n with open(output, \"w\", encoding=\"ascii\", newline=\"\\n\") as f:\n # --- 1. CONTROL ---\n # Stripped to the absolute bare minimums\n f.write(\"&CONTROL\\n\")\n f.write(\" calculation = 'cp',\\n\")\n f.write(\" restart_mode = 'from_scratch',\\n\")\n f.write(\" prefix = 'tesseract',\\n\")\n f.write(\" pseudo_dir = './pseudo/',\\n\")\n f.write(\" outdir = './tmp/',\\n\")\n f.write(\" dt = 5.0,\\n\")\n f.write(\" nstep = 500,\\n\")\n f.write(\" ndr = 51,\\n\")\n f.write(\" ndw = 51\\n\") # Removed TQR\n f.write(\"/\\n\\n\")\n\n # --- 2. SYSTEM ---\n f.write(\"&SYSTEM\\n\")\n f.write(f\" ibrav = 0, nat = {nat}, ntyp = {len(species_ordered)},\\n\")\n f.write(\" ecutwfc = 65.0,\\n\")\n f.write(\" ecutrho = 260.0,\\n\")\n f.write(\" input_dft = 'PBE',\\n\")\n f.write(\" nosym = .true.\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 3. ELECTRONS ---\n f.write(\"&ELECTRONS\\n\")\n f.write(\" electron_dynamics = 'damp',\\n\")\n f.write(\" electron_damping = 0.1,\\n\")\n f.write(\" emass = 400.0,\\n\")\n f.write(\" emass_cutoff = 2.5\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 4. IONS ---\n f.write(\"&IONS\\n\")\n f.write(\" ion_dynamics = 'none'\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 5. ATOMIC DATA ---\n f.write(\"ATOMIC_SPECIES\\n\")\n for el in species_ordered:\n f.write(f\"{el:>3} {masses.get(el, 1.0):10.5f} {pseudo_map[el]}\\n\")\n\n f.write(\"\\nATOMIC_POSITIONS angstrom\\n\")\n for el, x, y, z in atoms:\n f.write(f\"{el:>3} {x:12.8f} {y:12.8f} {z:12.8f}\\n\")\n \n f.write(\"\\nCELL_PARAMETERS angstrom\\n\")\n f.write(\"20.0 0.0 0.0\\n0.0 20.0 0.0\\n0.0 0.0 20.0\\n\")\n\n print(f\"✅ Clean CP Input ready: {output}\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.174707Z","iopub.status.idle":"2026-07-30T04:56:14.175055Z","shell.execute_reply.started":"2026-07-30T04:56:14.174890Z","shell.execute_reply":"2026-07-30T04:56:14.174906Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"NASA CEA Propellant checker","metadata":{}},{"cell_type":"code","source":"from rocketcea.cea_obj import CEA_Obj\nfrom rocketcea import cea_obj\n\n# 1. Define your custom monopropellant card\n# Format: 'ChemicalFormula', Enthalpy(kJ/mol), Density(g/cc, optional)\n# Swap C12H12N12O12F2 with your EXACT atom counts from your QE file.\n# Swap -500.0 with your calculated Heat of Formation in kJ/mol.\n\ncard_str = \"\"\"\nfuel MyCustomPropellant C 12 H 6 N 14 O 10 F 2 wt=100.0\nh,kj/mol=-500.0 t(k)=298.15\n\"\"\"\n\n# 2. Inject it into RocketCEA's internal dictionary\ncea_obj.add_new_fuel('MyCustomPropellant', card_str)\n\n# 3. Create the CEA Object\n# For a monopropellant, we name it as the fuel, and just pick a dummy oxidizer (like LOX)\n# because we will set the Mixture Ratio to 0.0 anyway.\nispObj = CEA_Obj(oxName=\"LOX\", fuelName=\"MyCustomPropellant\")\n\n# 4. Pull the juicy metrics\n# Pc = Chamber Pressure (psia) -> 1000.0 is industry standard for screening\n# eps = Nozzle Expansion Area Ratio -> 40.0 is standard for vacuum screening\n# MR = Mixture Ratio -> MUST BE 0.0 for a monopropellant (it burns itself)\nPc = 1000.0\neps = 40.0\nMR = 0.0\n\n# This single function pulls Vacuum Isp, C-Star (characteristic velocity), and Combustion Temp\nIspVac, Cstar, Tcomb = ispObj.get_IvacCstrTc(Pc=Pc, MR=MR, eps=eps)\n\n# Grab the average Molecular Weight and Gamma (ratio of specific heats) of the chamber exhaust gases\n_, _, _, mw_exhaust, gamma = ispObj.get_IvacCstrTc_ChmMwGam(Pc=Pc, MR=MR, eps=eps)\n\n# 5. Print the payload\nprint(\"=================== PROPELLANT PERFORMANCE ===================\")\nprint(f\"Vacuum Isp : {IspVac:.2f} seconds\")\nprint(f\"Combustion Temp (Tc) : {Tcomb:.2f} Rankine ({(Tcomb - 459.67) * 5/9 + 273.15:.2f} K)\")\nprint(f\"C-Star (Velocity) : {Cstar:.2f} ft/s\")\nprint(f\"Exhaust Mol Weight : {mw_exhaust:.2f} g/mol\")\nprint(f\"Chamber Gamma : {gamma:.4f}\")\nprint(\"==============================================================\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.176771Z","iopub.status.idle":"2026-07-30T04:56:14.177264Z","shell.execute_reply.started":"2026-07-30T04:56:14.177019Z","shell.execute_reply":"2026-07-30T04:56:14.177042Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null}]} \ No newline at end of file From b14ad5f337a188422882be99dc1d4187a47b738b Mon Sep 17 00:00:00 2001 From: Pravin Carthic <56361904+pravincarthic@users.noreply.github.com> Date: Mon, 10 Aug 2026 14:13:12 +0530 Subject: [PATCH 2/4] Re-added phonon support with pp.x included in the make --- Quantum_espresso_install_guide.ipynb | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Quantum_espresso_install_guide.ipynb b/Quantum_espresso_install_guide.ipynb index 6c89846..b3829b4 100644 --- a/Quantum_espresso_install_guide.ipynb +++ b/Quantum_espresso_install_guide.ipynb @@ -1 +1 @@ -{"metadata":{"kernelspec":{"language":"python","display_name":"Python 3","name":"python3"},"language_info":{"name":"python","version":"3.12.12","mimetype":"text/x-python","codemirror_mode":{"name":"ipython","version":3},"pygments_lexer":"ipython3","nbconvert_exporter":"python","file_extension":".py"},"kaggle":{"accelerator":"nvidiaTeslaT4","dataSources":[{"sourceType":"datasetVersion","sourceId":15490887,"datasetId":9910679,"databundleVersionId":16415605},{"sourceType":"datasetVersion","sourceId":15809101,"datasetId":10133874,"databundleVersionId":16756907},{"sourceType":"datasetVersion","sourceId":15664603,"datasetId":10029968,"databundleVersionId":16601428},{"sourceType":"datasetVersion","sourceId":15664593,"datasetId":10029958,"databundleVersionId":16601418},{"sourceType":"datasetVersion","sourceId":15660946,"datasetId":10027068,"databundleVersionId":16597549},{"sourceType":"datasetVersion","sourceId":15564737,"datasetId":9957915,"databundleVersionId":16495191},{"sourceType":"datasetVersion","sourceId":15654163,"datasetId":10022101,"databundleVersionId":16590329},{"sourceType":"datasetVersion","sourceId":16493551,"datasetId":10129077,"databundleVersionId":17495327}],"dockerImageVersionId":31329,"isInternetEnabled":true,"language":"python","sourceType":"notebook","isGpuEnabled":true}},"nbformat_minor":4,"nbformat":4,"cells":[{"cell_type":"markdown","source":"# Quantum ESPRESSO installation guide on Python for P100 GPU","metadata":{}},{"cell_type":"markdown","source":"## 1. Install Dependencies","metadata":{}},{"cell_type":"code","source":"%%bash\napt-get update\napt-get install -y build-essential wget \\\n libfftw3-dev libblas-dev liblapack-dev \\\n libscalapack-mpi-dev libopenmpi-dev openmpi-bin\napt-get install -y libxc-dev libxc9\npip install phonopy\npip install numpy scipy pyyaml matplotlib\npip install ase cclib","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T07:42:00.653941Z","iopub.execute_input":"2026-07-30T07:42:00.654699Z","iopub.status.idle":"2026-07-30T07:42:35.646151Z","shell.execute_reply.started":"2026-07-30T07:42:00.654665Z","shell.execute_reply":"2026-07-30T07:42:35.645405Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Get:1 https://cloud.r-project.org/bin/linux/ubuntu jammy-cran40/ InRelease [3,632 B]\nGet:2 https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64 InRelease [1,581 B]\nGet:3 https://cli.github.com/packages stable InRelease [3,917 B]\nGet:4 http://security.ubuntu.com/ubuntu jammy-security InRelease [129 kB]\nGet:5 https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64 Packages [2,850 kB]\nGet:6 https://cloud.r-project.org/bin/linux/ubuntu jammy-cran40/ Packages [101 kB]\nGet:7 https://r2u.stat.illinois.edu/ubuntu jammy InRelease [6,555 B]\nHit:8 http://archive.ubuntu.com/ubuntu jammy InRelease\nGet:9 https://cli.github.com/packages stable/main amd64 Packages [355 B]\nGet:10 http://archive.ubuntu.com/ubuntu jammy-updates InRelease [128 kB]\nGet:11 https://r2u.stat.illinois.edu/ubuntu jammy/main amd64 Packages [3,141 kB]\nGet:12 https://ppa.launchpadcontent.net/deadsnakes/ppa/ubuntu jammy InRelease [18.1 kB]\nGet:13 http://security.ubuntu.com/ubuntu jammy-security/main amd64 Packages [4,151 kB]\nHit:14 https://ppa.launchpadcontent.net/graphics-drivers/ppa/ubuntu jammy InRelease\nGet:15 https://r2u.stat.illinois.edu/ubuntu jammy/main all Packages [10.6 MB]\nHit:16 https://ppa.launchpadcontent.net/ubuntugis/ppa/ubuntu jammy InRelease\nGet:17 http://archive.ubuntu.com/ubuntu jammy-backports InRelease [127 kB]\nGet:18 https://ppa.launchpadcontent.net/deadsnakes/ppa/ubuntu jammy/main amd64 Packages [43.4 kB]\nGet:19 http://security.ubuntu.com/ubuntu jammy-security/universe amd64 Packages [1,314 kB]\nGet:20 http://security.ubuntu.com/ubuntu jammy-security/restricted amd64 Packages [7,472 kB]\nGet:21 http://security.ubuntu.com/ubuntu jammy-security/multiverse amd64 Packages [84.1 kB]\nGet:22 http://archive.ubuntu.com/ubuntu jammy-updates/main amd64 Packages [4,484 kB]\nGet:23 http://archive.ubuntu.com/ubuntu jammy-updates/multiverse amd64 Packages [92.7 kB]\nGet:24 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 Packages [1,616 kB]\nGet:25 http://archive.ubuntu.com/ubuntu jammy-updates/restricted amd64 Packages [7,763 kB]\nGet:26 http://archive.ubuntu.com/ubuntu jammy-backports/main amd64 Packages [82.8 kB]\nGet:27 http://archive.ubuntu.com/ubuntu jammy-backports/universe amd64 Packages [35.6 kB]\nFetched 44.3 MB in 3s (13.9 MB/s)\nReading package lists...\nReading package lists...\nBuilding dependency tree...\nReading state information...\nbuild-essential is already the newest version (12.9ubuntu3).\nliblapack-dev is already the newest version (3.10.0-2ubuntu1).\nlibopenmpi-dev is already the newest version (4.1.2-2ubuntu1).\nlibopenmpi-dev set to manually installed.\nlibscalapack-mpi-dev is already the newest version (2.1.0-4).\nlibscalapack-mpi-dev set to manually installed.\nopenmpi-bin is already the newest version (4.1.2-2ubuntu1).\nopenmpi-bin set to manually installed.\nThe following additional packages will be installed:\n libfftw3-bin libfftw3-long3 libfftw3-quad3 libfftw3-single3\nSuggested packages:\n liblapack-doc libfftw3-doc\nThe following NEW packages will be installed:\n libblas-dev libfftw3-bin libfftw3-dev libfftw3-long3 libfftw3-quad3\n libfftw3-single3\nThe following packages will be upgraded:\n wget\n1 upgraded, 6 newly installed, 0 to remove and 299 not upgraded.\nNeed to get 4,387 kB of archives.\nAfter this operation, 23.5 MB of additional disk space will be used.\nGet:1 http://archive.ubuntu.com/ubuntu jammy-updates/main amd64 wget amd64 1.21.2-2ubuntu1.4 [339 kB]\nGet:2 http://archive.ubuntu.com/ubuntu jammy/main amd64 libblas-dev amd64 3.10.0-2ubuntu1 [164 kB]\nGet:3 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-long3 amd64 3.3.8-2ubuntu8 [335 kB]\nGet:4 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-quad3 amd64 3.3.8-2ubuntu8 [614 kB]\nGet:5 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-single3 amd64 3.3.8-2ubuntu8 [800 kB]\nGet:6 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-bin amd64 3.3.8-2ubuntu8 [35.5 kB]\nGet:7 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-dev amd64 3.3.8-2ubuntu8 [2,101 kB]\nFetched 4,387 kB in 1s (5,366 kB/s)\n(Reading database ... 124626 files and directories currently installed.)\nPreparing to unpack .../0-wget_1.21.2-2ubuntu1.4_amd64.deb ...\nUnpacking wget (1.21.2-2ubuntu1.4) over (1.21.2-2ubuntu1.1) ...\nSelecting previously unselected package libblas-dev:amd64.\nPreparing to unpack .../1-libblas-dev_3.10.0-2ubuntu1_amd64.deb ...\nUnpacking libblas-dev:amd64 (3.10.0-2ubuntu1) ...\nSelecting previously unselected package libfftw3-long3:amd64.\nPreparing to unpack .../2-libfftw3-long3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-long3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-quad3:amd64.\nPreparing to unpack .../3-libfftw3-quad3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-quad3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-single3:amd64.\nPreparing to unpack .../4-libfftw3-single3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-single3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-bin.\nPreparing to unpack .../5-libfftw3-bin_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-bin (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-dev:amd64.\nPreparing to unpack .../6-libfftw3-dev_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-dev:amd64 (3.3.8-2ubuntu8) ...\nSetting up libfftw3-single3:amd64 (3.3.8-2ubuntu8) ...\nSetting up wget (1.21.2-2ubuntu1.4) ...\nSetting up libfftw3-long3:amd64 (3.3.8-2ubuntu8) ...\nSetting up libfftw3-quad3:amd64 (3.3.8-2ubuntu8) ...\nSetting up libblas-dev:amd64 (3.10.0-2ubuntu1) ...\nSetting up libfftw3-bin (3.3.8-2ubuntu8) ...\nSetting up libfftw3-dev:amd64 (3.3.8-2ubuntu8) ...\nProcessing triggers for man-db (2.10.2-1) ...\nProcessing triggers for libc-bin (2.35-0ubuntu3.8) ...\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_5.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero_v2.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_0.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_loader.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbb.so.12 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libumf.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm_debug.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_opencl.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc_proxy.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libhwloc.so.15 is not a symbolic link\n\nReading package lists...\nBuilding dependency tree...\nReading state information...\nThe following NEW packages will be installed:\n libxc-dev libxc9\n0 upgraded, 2 newly installed, 0 to remove and 299 not upgraded.\nNeed to get 11.9 MB of archives.\nAfter this operation, 41.2 MB of additional disk space will be used.\nGet:1 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libxc9 amd64 5.1.7-1ubuntu1 [3,900 kB]\nGet:2 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libxc-dev amd64 5.1.7-1ubuntu1 [8,038 kB]\nFetched 11.9 MB in 1s (12.2 MB/s)\nSelecting previously unselected package libxc9:amd64.\n(Reading database ... 124727 files and directories currently installed.)\nPreparing to unpack .../libxc9_5.1.7-1ubuntu1_amd64.deb ...\nUnpacking libxc9:amd64 (5.1.7-1ubuntu1) ...\nSelecting previously unselected package libxc-dev.\nPreparing to unpack .../libxc-dev_5.1.7-1ubuntu1_amd64.deb ...\nUnpacking libxc-dev (5.1.7-1ubuntu1) ...\nSetting up libxc9:amd64 (5.1.7-1ubuntu1) ...\nSetting up libxc-dev (5.1.7-1ubuntu1) ...\nProcessing triggers for libc-bin (2.35-0ubuntu3.8) ...\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_5.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero_v2.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_0.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_loader.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbb.so.12 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libumf.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm_debug.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_opencl.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc_proxy.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libhwloc.so.15 is not a symbolic link\n\nCollecting phonopy\n Downloading phonopy-4.4.0-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl.metadata (3.7 kB)\nRequirement already satisfied: numpy>=1.17.0 in /usr/local/lib/python3.12/dist-packages (from phonopy) (2.0.2)\nRequirement already satisfied: PyYAML>=5.3 in /usr/local/lib/python3.12/dist-packages (from phonopy) (6.0.3)\nRequirement already satisfied: matplotlib>=2.2.2 in /usr/local/lib/python3.12/dist-packages (from phonopy) (3.10.0)\nRequirement already satisfied: h5py>=3.0 in /usr/local/lib/python3.12/dist-packages (from phonopy) (3.15.1)\nCollecting spglib>=2.5 (from phonopy)\n Downloading spglib-2.7.0-cp312-cp312-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl.metadata (4.2 kB)\nCollecting symfc>=1.7 (from phonopy)\n Downloading symfc-1.7.3-py3-none-any.whl.metadata (2.1 kB)\nCollecting phonors>=0.3.0 (from phonopy)\n Downloading phonors-0.3.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (2.6 kB)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (1.4.9)\nRequirement already satisfied: packaging>=20.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (26.0)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (2.9.0.post0)\nRequirement already satisfied: typing-extensions>=4.9.0 in /usr/local/lib/python3.12/dist-packages (from spglib>=2.5->phonopy) (4.15.0)\nRequirement already satisfied: scipy!=1.11.0,!=1.11.1,!=1.11.2,!=1.17.0 in /usr/local/lib/python3.12/dist-packages (from symfc>=1.7->phonopy) (1.16.3)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib>=2.2.2->phonopy) (1.17.0)\nDownloading phonopy-4.4.0-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl (851 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 851.0/851.0 kB 20.9 MB/s eta 0:00:00\nDownloading phonors-0.3.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.5 MB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.5/1.5 MB 62.0 MB/s eta 0:00:00\nDownloading spglib-2.7.0-cp312-cp312-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl (962 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 962.5/962.5 kB 62.7 MB/s eta 0:00:00\nDownloading symfc-1.7.3-py3-none-any.whl (114 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 114.9/114.9 kB 10.9 MB/s eta 0:00:00\nInstalling collected packages: spglib, phonors, symfc, phonopy\nSuccessfully installed phonopy-4.4.0 phonors-0.3.0 spglib-2.7.0 symfc-1.7.3\nRequirement already satisfied: numpy in /usr/local/lib/python3.12/dist-packages (2.0.2)\nRequirement already satisfied: scipy in /usr/local/lib/python3.12/dist-packages (1.16.3)\nRequirement already satisfied: pyyaml in /usr/local/lib/python3.12/dist-packages (6.0.3)\nRequirement already satisfied: matplotlib in /usr/local/lib/python3.12/dist-packages (3.10.0)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (1.4.9)\nRequirement already satisfied: packaging>=20.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (26.0)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (2.9.0.post0)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib) (1.17.0)\nCollecting ase\n Downloading ase-3.29.0-py3-none-any.whl.metadata (4.4 kB)\nCollecting cclib\n Downloading cclib-1.8.1-py3-none-any.whl.metadata (4.7 kB)\nRequirement already satisfied: numpy>=1.21.6 in /usr/local/lib/python3.12/dist-packages (from ase) (2.0.2)\nRequirement already satisfied: scipy>=1.8.1 in /usr/local/lib/python3.12/dist-packages (from ase) (1.16.3)\nRequirement already satisfied: matplotlib>=3.5.2 in /usr/local/lib/python3.12/dist-packages (from ase) (3.10.0)\nRequirement already satisfied: typing_extensions>=4.13.1 in /usr/local/lib/python3.12/dist-packages (from ase) (4.15.0)\nRequirement already satisfied: packaging>=19.0 in /usr/local/lib/python3.12/dist-packages (from cclib) (26.0)\nCollecting periodictable (from cclib)\n Downloading periodictable-2.1.0-py3-none-any.whl.metadata (5.2 kB)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (1.4.9)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (2.9.0.post0)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib>=3.5.2->ase) (1.17.0)\nDownloading ase-3.29.0-py3-none-any.whl (3.0 MB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 3.0/3.0 MB 52.7 MB/s eta 0:00:00\nDownloading cclib-1.8.1-py3-none-any.whl (353 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 353.6/353.6 kB 27.8 MB/s eta 0:00:00\nDownloading periodictable-2.1.0-py3-none-any.whl (830 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 830.7/830.7 kB 49.5 MB/s eta 0:00:00\nInstalling collected packages: periodictable, cclib, ase\nSuccessfully installed ase-3.29.0 cclib-1.8.1 periodictable-2.1.0\n","output_type":"stream"},{"name":"stderr","text":"W: Skipping acquire of configured file 'main/source/Sources' as repository 'https://r2u.stat.illinois.edu/ubuntu jammy InRelease' does not seem to provide it (sources.list entry misspelt?)\n","output_type":"stream"}],"execution_count":1},{"cell_type":"markdown","source":"## 2. Download Quantum ESPRESSO and NVFORTRAN/NVHPC SDK","metadata":{}},{"cell_type":"markdown","source":"Will take ~15-17 GiB of output space, ensure there is enough storage","metadata":{}},{"cell_type":"code","source":"!cd \n!wget https://github.com/QEF/q-e/archive/refs/tags/qe-7.5.tar.gz\n!tar -xvf qe-7.5.tar.gz\n!rm -rf /kaggle/working/qe-7.5.tar.gz\n%cd q-e-qe-7.5","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T07:42:41.836965Z","iopub.execute_input":"2026-07-30T07:42:41.837669Z","iopub.status.idle":"2026-07-30T07:42:52.076993Z","shell.execute_reply.started":"2026-07-30T07:42:41.837639Z","shell.execute_reply":"2026-07-30T07:42:52.076060Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"--2026-07-30 07:42:41-- https://github.com/QEF/q-e/archive/refs/tags/qe-7.5.tar.gz\nResolving github.com (github.com)... 140.82.116.4\nConnecting to github.com (github.com)|140.82.116.4|:443... connected.\nHTTP request sent, awaiting response... 302 Found\nLocation: https://codeload.github.com/QEF/q-e/tar.gz/refs/tags/qe-7.5 [following]\n--2026-07-30 07:42:42-- https://codeload.github.com/QEF/q-e/tar.gz/refs/tags/qe-7.5\nResolving codeload.github.com (codeload.github.com)... 140.82.116.9\nConnecting to codeload.github.com (codeload.github.com)|140.82.116.9|:443... connected.\nHTTP request sent, awaiting response... 200 OK\nLength: unspecified [application/x-gzip]\nSaving to: ‘qe-7.5.tar.gz’\n\nqe-7.5.tar.gz [ <=> ] 69.12M 9.27MB/s in 7.4s \n\n2026-07-30 07:42:49 (9.36 MB/s) - ‘qe-7.5.tar.gz’ saved [72479566]\n\nq-e-qe-7.5/\nq-e-qe-7.5/.ci/\nq-e-qe-7.5/.ci/cineca.yml\nq-e-qe-7.5/.cmake-format\nq-e-qe-7.5/.editorconfig\nq-e-qe-7.5/.github/\nq-e-qe-7.5/.github/pull_request_template.md\nq-e-qe-7.5/.gitignore\nq-e-qe-7.5/.gitlab-ci-main.yml\nq-e-qe-7.5/.gitlab-ci.yml\nq-e-qe-7.5/.gitmodules\nq-e-qe-7.5/.travis.yml\nq-e-qe-7.5/CMakeLists.txt\nq-e-qe-7.5/CONTRIBUTING.md\nq-e-qe-7.5/COUPLE/\nq-e-qe-7.5/COUPLE/CMakeLists.txt\nq-e-qe-7.5/COUPLE/Makefile\nq-e-qe-7.5/COUPLE/README\nq-e-qe-7.5/COUPLE/examples/\nq-e-qe-7.5/COUPLE/examples/Makefile.gfortran\nq-e-qe-7.5/COUPLE/examples/Makefile.ifort\nq-e-qe-7.5/COUPLE/examples/README\nq-e-qe-7.5/COUPLE/examples/c2cp.cpp\nq-e-qe-7.5/COUPLE/examples/c2pw.cpp\nq-e-qe-7.5/COUPLE/examples/f2cp.f90\nq-e-qe-7.5/COUPLE/examples/f2pw.f90\nq-e-qe-7.5/COUPLE/include/\nq-e-qe-7.5/COUPLE/include/libqecouple.h\nq-e-qe-7.5/COUPLE/src/\nq-e-qe-7.5/COUPLE/src/Makefile\nq-e-qe-7.5/COUPLE/src/libcpv.f90\nq-e-qe-7.5/COUPLE/src/libpwscf.f90\nq-e-qe-7.5/COUPLE/src/libqemod.f90\nq-e-qe-7.5/COUPLE/tests/\nq-e-qe-7.5/COUPLE/tests/check-couple.j\nq-e-qe-7.5/COUPLE/tests/clean_all\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.c-0.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.c-16.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.c-2.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.c-4.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.f-0.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.f-16.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.f-2.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.f-4.ref\nq-e-qe-7.5/COUPLE/tests/h2o-mt-blyp.cp.in\nq-e-qe-7.5/COUPLE/tests/metal.pw.c-0.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.c-16.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.c-2.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.c-4.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.f-0.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.f-16.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.f-2.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.f-4.ref\nq-e-qe-7.5/COUPLE/tests/metal.pw.in\nq-e-qe-7.5/COUPLE/tests/scf.pw.c-0.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.c-16.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.c-2.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.c-4.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.f-0.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.f-16.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.f-2.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.f-4.ref\nq-e-qe-7.5/COUPLE/tests/scf.pw.in\nq-e-qe-7.5/CPV/\nq-e-qe-7.5/CPV/CMakeLists.txt\nq-e-qe-7.5/CPV/Doc/\nq-e-qe-7.5/CPV/Doc/INPUT_CP.def\nq-e-qe-7.5/CPV/Doc/INPUT_CP.html\nq-e-qe-7.5/CPV/Doc/INPUT_CP.txt\nq-e-qe-7.5/CPV/Doc/INPUT_CPPP.def\nq-e-qe-7.5/CPV/Doc/INPUT_CPPP.html\nq-e-qe-7.5/CPV/Doc/INPUT_CPPP.txt\nq-e-qe-7.5/CPV/Doc/INPUT_WFDD\nq-e-qe-7.5/CPV/Doc/Makefile\nq-e-qe-7.5/CPV/Doc/autopilot_guide.md\nq-e-qe-7.5/CPV/Doc/pandoc_template.html\nq-e-qe-7.5/CPV/Doc/pandoc_template.tex\nq-e-qe-7.5/CPV/Doc/tp.tex\nq-e-qe-7.5/CPV/Doc/user_guide.md\nq-e-qe-7.5/CPV/Ford.md\nq-e-qe-7.5/CPV/Ford/\nq-e-qe-7.5/CPV/Ford/index.md\nq-e-qe-7.5/CPV/Makefile\nq-e-qe-7.5/CPV/examples/\nq-e-qe-7.5/CPV/examples/EXX-wf-example/\nq-e-qe-7.5/CPV/examples/EXX-wf-example/01.input\nq-e-qe-7.5/CPV/examples/EXX-wf-example/01.out\nq-e-qe-7.5/CPV/examples/EXX-wf-example/02.input\nq-e-qe-7.5/CPV/examples/EXX-wf-example/02.out\nq-e-qe-7.5/CPV/examples/EXX-wf-example/H_HSCV_PBE-1.0.UPF\nq-e-qe-7.5/CPV/examples/EXX-wf-example/O_HSCV_PBE-1.0.UPF\nq-e-qe-7.5/CPV/examples/EXX-wf-example/README-Parallelization\nq-e-qe-7.5/CPV/examples/EXX-wf-example/README-example\nq-e-qe-7.5/CPV/examples/EXX-wf-example/example-job-script\nq-e-qe-7.5/CPV/examples/Extffield_example/\nq-e-qe-7.5/CPV/examples/Extffield_example/README\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/SiH4.extffield\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/SiH4.inp1\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/SiH4.inp2\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/SiH4.out1\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/SiH4.out2\nq-e-qe-7.5/CPV/examples/Extffield_example/reference/extffield.dat\nq-e-qe-7.5/CPV/examples/Extffield_example/run_example\nq-e-qe-7.5/CPV/examples/README\nq-e-qe-7.5/CPV/examples/Restart_example/\nq-e-qe-7.5/CPV/examples/Restart_example/README\nq-e-qe-7.5/CPV/examples/Restart_example/reference/\nq-e-qe-7.5/CPV/examples/Restart_example/reference/sio2.cp.restart.out\nq-e-qe-7.5/CPV/examples/Restart_example/reference/sio2.cp.start.out\nq-e-qe-7.5/CPV/examples/Restart_example/reference/sio2.pw.restart.out\nq-e-qe-7.5/CPV/examples/Restart_example/run_example\nq-e-qe-7.5/CPV/examples/autopilot-example/\nq-e-qe-7.5/CPV/examples/autopilot-example/reference/\nq-e-qe-7.5/CPV/examples/autopilot-example/reference/water.autopilot.out\nq-e-qe-7.5/CPV/examples/autopilot-example/run_example_water\nq-e-qe-7.5/CPV/examples/example01/\nq-e-qe-7.5/CPV/examples/example01/README\nq-e-qe-7.5/CPV/examples/example01/reference/\nq-e-qe-7.5/CPV/examples/example01/reference/sio2.cp.restart.out\nq-e-qe-7.5/CPV/examples/example01/reference/sio2.cp.start.out\nq-e-qe-7.5/CPV/examples/example01/reference/sio2.vc-cp.out\nq-e-qe-7.5/CPV/examples/example01/reference/sio2.vc-cp.restart.out\nq-e-qe-7.5/CPV/examples/example01/run_example\nq-e-qe-7.5/CPV/examples/example02/\nq-e-qe-7.5/CPV/examples/example02/README\nq-e-qe-7.5/CPV/examples/example02/reference/\nq-e-qe-7.5/CPV/examples/example02/reference/h2o-mol1.out\nq-e-qe-7.5/CPV/examples/example02/reference/h2o-mol2.out\nq-e-qe-7.5/CPV/examples/example02/reference/h2o-mol3.out\nq-e-qe-7.5/CPV/examples/example02/run_example\nq-e-qe-7.5/CPV/examples/example03/\nq-e-qe-7.5/CPV/examples/example03/README\nq-e-qe-7.5/CPV/examples/example03/reference/\nq-e-qe-7.5/CPV/examples/example03/reference/nh3.out\nq-e-qe-7.5/CPV/examples/example03/run_example\nq-e-qe-7.5/CPV/examples/example04/\nq-e-qe-7.5/CPV/examples/example04/README\nq-e-qe-7.5/CPV/examples/example04/reference/\nq-e-qe-7.5/CPV/examples/example04/reference/h2o-32.out\nq-e-qe-7.5/CPV/examples/example04/reference/h2o-64.out\nq-e-qe-7.5/CPV/examples/example04/run_example\nq-e-qe-7.5/CPV/examples/example05/\nq-e-qe-7.5/CPV/examples/example05/README\nq-e-qe-7.5/CPV/examples/example05/reference/\nq-e-qe-7.5/CPV/examples/example05/reference/h2o.efield.out\nq-e-qe-7.5/CPV/examples/example05/reference/h2o.wannier.out\nq-e-qe-7.5/CPV/examples/example05/run_example\nq-e-qe-7.5/CPV/examples/example06/\nq-e-qe-7.5/CPV/examples/example06/README\nq-e-qe-7.5/CPV/examples/example06/reference/\nq-e-qe-7.5/CPV/examples/example06/reference/h2o.scf.out\nq-e-qe-7.5/CPV/examples/example06/reference/h2o.wannier.out\nq-e-qe-7.5/CPV/examples/example06/run_example\nq-e-qe-7.5/CPV/examples/example07/\nq-e-qe-7.5/CPV/examples/example07/README\nq-e-qe-7.5/CPV/examples/example07/reference/\nq-e-qe-7.5/CPV/examples/example07/reference/c4h6.cp.metaGGA.out\nq-e-qe-7.5/CPV/examples/example07/reference/c4h6.pw.metaGGA.out\nq-e-qe-7.5/CPV/examples/example07/run_example\nq-e-qe-7.5/CPV/examples/example08/\nq-e-qe-7.5/CPV/examples/example08/README\nq-e-qe-7.5/CPV/examples/example08/reference/\nq-e-qe-7.5/CPV/examples/example08/reference/si2.ensemble-dyn.out\nq-e-qe-7.5/CPV/examples/example08/run_example\nq-e-qe-7.5/CPV/examples/example09/\nq-e-qe-7.5/CPV/examples/example09/README\nq-e-qe-7.5/CPV/examples/example09/reference/\nq-e-qe-7.5/CPV/examples/example09/reference/mgo.cp.cg.efield.out\nq-e-qe-7.5/CPV/examples/example09/reference/mgo.cp.cg.out\nq-e-qe-7.5/CPV/examples/example09/reference/mgo.cp.damp.efield.out\nq-e-qe-7.5/CPV/examples/example09/run_example\nq-e-qe-7.5/CPV/src/\nq-e-qe-7.5/CPV/src/Makefile\nq-e-qe-7.5/CPV/src/berryion.f90\nq-e-qe-7.5/CPV/src/bforceion.f90\nq-e-qe-7.5/CPV/src/cg.f90\nq-e-qe-7.5/CPV/src/cg_sub.f90\nq-e-qe-7.5/CPV/src/chargedensity.f90\nq-e-qe-7.5/CPV/src/cp_autopilot.f90\nq-e-qe-7.5/CPV/src/cp_emass.f90\nq-e-qe-7.5/CPV/src/cp_interfaces.f90\nq-e-qe-7.5/CPV/src/cp_restart_new.f90\nq-e-qe-7.5/CPV/src/cp_wavefunctions.f90\nq-e-qe-7.5/CPV/src/cplib.f90\nq-e-qe-7.5/CPV/src/cplib_meta.f90\nq-e-qe-7.5/CPV/src/cppp.f90\nq-e-qe-7.5/CPV/src/cpr.f90\nq-e-qe-7.5/CPV/src/cpr_loop.f90\nq-e-qe-7.5/CPV/src/cpr_mod.f90\nq-e-qe-7.5/CPV/src/cprstart.f90\nq-e-qe-7.5/CPV/src/dealloc.f90\nq-e-qe-7.5/CPV/src/dforceb.f90\nq-e-qe-7.5/CPV/src/efermi.f90\nq-e-qe-7.5/CPV/src/efield.f90\nq-e-qe-7.5/CPV/src/eigs0.f90\nq-e-qe-7.5/CPV/src/electrons.f90\nq-e-qe-7.5/CPV/src/electrons_nose.f90\nq-e-qe-7.5/CPV/src/energies.f90\nq-e-qe-7.5/CPV/src/ensemble_dft.f90\nq-e-qe-7.5/CPV/src/entropy.f90\nq-e-qe-7.5/CPV/src/environ_cp_module.f90\nq-e-qe-7.5/CPV/src/exch_corr.f90\nq-e-qe-7.5/CPV/src/exx_cg.f90\nq-e-qe-7.5/CPV/src/exx_es.f90\nq-e-qe-7.5/CPV/src/exx_gs.f90\nq-e-qe-7.5/CPV/src/exx_module.f90\nq-e-qe-7.5/CPV/src/exx_pair.f90\nq-e-qe-7.5/CPV/src/exx_psi.f90\nq-e-qe-7.5/CPV/src/exx_vofr.f90\nq-e-qe-7.5/CPV/src/forces.f90\nq-e-qe-7.5/CPV/src/fromscra.f90\nq-e-qe-7.5/CPV/src/gram.f90\nq-e-qe-7.5/CPV/src/gtable.f90\nq-e-qe-7.5/CPV/src/init.f90\nq-e-qe-7.5/CPV/src/init_run.f90\nq-e-qe-7.5/CPV/src/inner_loop_cold.f90\nq-e-qe-7.5/CPV/src/input.f90\nq-e-qe-7.5/CPV/src/ions_positions.f90\nq-e-qe-7.5/CPV/src/ksstates.f90\nq-e-qe-7.5/CPV/src/ldaU.f90\nq-e-qe-7.5/CPV/src/ldaU_cp.f90\nq-e-qe-7.5/CPV/src/ldaUpen.f90\nq-e-qe-7.5/CPV/src/mainvar.f90\nq-e-qe-7.5/CPV/src/manycp.f90\nq-e-qe-7.5/CPV/src/metaxc.f90\nq-e-qe-7.5/CPV/src/modules.f90\nq-e-qe-7.5/CPV/src/move_electrons.f90\nq-e-qe-7.5/CPV/src/newd.f90\nq-e-qe-7.5/CPV/src/nl_base.f90\nq-e-qe-7.5/CPV/src/nlcc.f90\nq-e-qe-7.5/CPV/src/ortho.f90\nq-e-qe-7.5/CPV/src/ortho_base.f90\nq-e-qe-7.5/CPV/src/phasefactor.f90\nq-e-qe-7.5/CPV/src/plugin_add_potential.f90\nq-e-qe-7.5/CPV/src/plugin_clean.f90\nq-e-qe-7.5/CPV/src/plugin_clock.f90\nq-e-qe-7.5/CPV/src/plugin_energy.f90\nq-e-qe-7.5/CPV/src/plugin_ext_forces.f90\nq-e-qe-7.5/CPV/src/plugin_get_potential.f90\nq-e-qe-7.5/CPV/src/plugin_init_base.f90\nq-e-qe-7.5/CPV/src/plugin_init_cell.f90\nq-e-qe-7.5/CPV/src/plugin_init_ions.f90\nq-e-qe-7.5/CPV/src/plugin_initialization.f90\nq-e-qe-7.5/CPV/src/plugin_int_forces.f90\nq-e-qe-7.5/CPV/src/plugin_print_energies.f90\nq-e-qe-7.5/CPV/src/plugin_print_info.f90\nq-e-qe-7.5/CPV/src/plugin_read_input.f90\nq-e-qe-7.5/CPV/src/plugin_utilities.f90\nq-e-qe-7.5/CPV/src/potentials.f90\nq-e-qe-7.5/CPV/src/pres_ai_mod.f90\nq-e-qe-7.5/CPV/src/print_out.f90\nq-e-qe-7.5/CPV/src/problem_size.f90\nq-e-qe-7.5/CPV/src/pseudo_base.f90\nq-e-qe-7.5/CPV/src/pseudopot.f90\nq-e-qe-7.5/CPV/src/pseudopot_sub.f90\nq-e-qe-7.5/CPV/src/qmatrixd.f90\nq-e-qe-7.5/CPV/src/qqberry.f90\nq-e-qe-7.5/CPV/src/restart.f90\nq-e-qe-7.5/CPV/src/restart_sub.f90\nq-e-qe-7.5/CPV/src/runcp.f90\nq-e-qe-7.5/CPV/src/sic.f90\nq-e-qe-7.5/CPV/src/smallbox.f90\nq-e-qe-7.5/CPV/src/smallbox_grid.f90\nq-e-qe-7.5/CPV/src/smallbox_gvec.f90\nq-e-qe-7.5/CPV/src/smallbox_lib.f90\nq-e-qe-7.5/CPV/src/smallbox_subs.f90\nq-e-qe-7.5/CPV/src/spinsq.f90\nq-e-qe-7.5/CPV/src/spline.f90\nq-e-qe-7.5/CPV/src/stop_run.f90\nq-e-qe-7.5/CPV/src/stress.f90\nq-e-qe-7.5/CPV/src/vofrho.f90\nq-e-qe-7.5/CPV/src/vol_clu.f90\nq-e-qe-7.5/CPV/src/wannier.f90\nq-e-qe-7.5/CPV/src/wannier_base.f90\nq-e-qe-7.5/CPV/src/wave.f90\nq-e-qe-7.5/CPV/src/wave_base.f90\nq-e-qe-7.5/CPV/src/wave_types.f90\nq-e-qe-7.5/CPV/src/wf.f90\nq-e-qe-7.5/CPV/src/wfdd.f90\nq-e-qe-7.5/Doc/\nq-e-qe-7.5/Doc/CMakeLists.txt\nq-e-qe-7.5/Doc/ChangeLog.cp\nq-e-qe-7.5/Doc/ChangeLog.old\nq-e-qe-7.5/Doc/ChangeLog.pw\nq-e-qe-7.5/Doc/ExternalForceFields.tex\nq-e-qe-7.5/Doc/Hubbard_input.tex\nq-e-qe-7.5/Doc/Makefile\nq-e-qe-7.5/Doc/README\nq-e-qe-7.5/Doc/brillouin_zones.tex\nq-e-qe-7.5/Doc/constraints_HOWTO.tex\nq-e-qe-7.5/Doc/html.sty\nq-e-qe-7.5/Doc/images/\nq-e-qe-7.5/Doc/images/bcc_bi.png\nq-e-qe-7.5/Doc/images/bco_1.png\nq-e-qe-7.5/Doc/images/bco_2.png\nq-e-qe-7.5/Doc/images/bco_3.png\nq-e-qe-7.5/Doc/images/bco_4.png\nq-e-qe-7.5/Doc/images/bco_5.png\nq-e-qe-7.5/Doc/images/bco_6.png\nq-e-qe-7.5/Doc/images/cubic_bi.png\nq-e-qe-7.5/Doc/images/fcc_bi.png\nq-e-qe-7.5/Doc/images/fcc_sc.png\nq-e-qe-7.5/Doc/images/hex.png\nq-e-qe-7.5/Doc/images/monob.png\nq-e-qe-7.5/Doc/images/monoc.png\nq-e-qe-7.5/Doc/images/ofc_1.png\nq-e-qe-7.5/Doc/images/ofc_10.png\nq-e-qe-7.5/Doc/images/ofc_11.png\nq-e-qe-7.5/Doc/images/ofc_12.png\nq-e-qe-7.5/Doc/images/ofc_13.png\nq-e-qe-7.5/Doc/images/ofc_14.png\nq-e-qe-7.5/Doc/images/ofc_15.png\nq-e-qe-7.5/Doc/images/ofc_16.png\nq-e-qe-7.5/Doc/images/ofc_17.png\nq-e-qe-7.5/Doc/images/ofc_18.png\nq-e-qe-7.5/Doc/images/ofc_2.png\nq-e-qe-7.5/Doc/images/ofc_3.png\nq-e-qe-7.5/Doc/images/ofc_4.png\nq-e-qe-7.5/Doc/images/ofc_5.png\nq-e-qe-7.5/Doc/images/ofc_6.png\nq-e-qe-7.5/Doc/images/ofc_7.png\nq-e-qe-7.5/Doc/images/ofc_8.png\nq-e-qe-7.5/Doc/images/ofc_9.png\nq-e-qe-7.5/Doc/images/ofco_1.png\nq-e-qe-7.5/Doc/images/ofco_2.png\nq-e-qe-7.5/Doc/images/so.png\nq-e-qe-7.5/Doc/images/st.png\nq-e-qe-7.5/Doc/images/stc1.png\nq-e-qe-7.5/Doc/images/stc2.png\nq-e-qe-7.5/Doc/images/stc2_sc.png\nq-e-qe-7.5/Doc/images/tri_1.png\nq-e-qe-7.5/Doc/images/tri_2.png\nq-e-qe-7.5/Doc/pic/\nq-e-qe-7.5/Doc/pic/hh_fes.pdf\nq-e-qe-7.5/Doc/pic/sn2_fes.pdf\nq-e-qe-7.5/Doc/pic/sn2_reaction.pdf\nq-e-qe-7.5/Doc/pic/sn2cv.pdf\nq-e-qe-7.5/Doc/pic/sn2cvs.pdf\nq-e-qe-7.5/Doc/plumed_quick_ref.tex\nq-e-qe-7.5/Doc/quantum_espresso.png\nq-e-qe-7.5/Doc/quote.tex\nq-e-qe-7.5/Doc/release-notes\nq-e-qe-7.5/Doc/user_guide.tex\nq-e-qe-7.5/EPW/\nq-e-qe-7.5/EPW/.dependencies\nq-e-qe-7.5/EPW/CMakeLists.txt\nq-e-qe-7.5/EPW/License\nq-e-qe-7.5/EPW/Makefile\nq-e-qe-7.5/EPW/README\nq-e-qe-7.5/EPW/ZG/\nq-e-qe-7.5/EPW/ZG/README\nq-e-qe-7.5/EPW/ZG/src/\nq-e-qe-7.5/EPW/ZG/src/Makefile\nq-e-qe-7.5/EPW/ZG/src/ZG.f90\nq-e-qe-7.5/EPW/ZG/src/bands_unfold.f90\nq-e-qe-7.5/EPW/ZG/src/disca.f90\nq-e-qe-7.5/EPW/ZG/src/epsilon_Gaus.f90\nq-e-qe-7.5/EPW/ZG/src/local/\nq-e-qe-7.5/EPW/ZG/src/local/JDOS.sh\nq-e-qe-7.5/EPW/ZG/src/local/JDOS_Gaus.f90\nq-e-qe-7.5/EPW/ZG/src/local/commands_bands.sh\nq-e-qe-7.5/EPW/ZG/src/local/compile_gfortran.sh\nq-e-qe-7.5/EPW/ZG/src/local/compile_ifort.sh\nq-e-qe-7.5/EPW/ZG/src/local/create_qlist.f90\nq-e-qe-7.5/EPW/ZG/src/local/epsi_av.sh\nq-e-qe-7.5/EPW/ZG/src/local/kpoints_band_str_unfold.f90\nq-e-qe-7.5/EPW/ZG/src/local/merge_bands.sh\nq-e-qe-7.5/EPW/ZG/src/local/merge_files.sh\nq-e-qe-7.5/EPW/ZG/src/local/rotate.f90\nq-e-qe-7.5/EPW/ZG/src/pp_disca.f90\nq-e-qe-7.5/EPW/ZG/src/pp_spctrlfn.f90\nq-e-qe-7.5/EPW/ZG/tutorial.tar.gz\nq-e-qe-7.5/EPW/bin/\nq-e-qe-7.5/EPW/bin/allocate.py\nq-e-qe-7.5/EPW/bin/pp-xml-depreciated.py\nq-e-qe-7.5/EPW/bin/pp.py\nq-e-qe-7.5/EPW/doc/\nq-e-qe-7.5/EPW/doc/Ford/\nq-e-qe-7.5/EPW/doc/Ford/index.md\nq-e-qe-7.5/EPW/doc/graveyard.txt\nq-e-qe-7.5/EPW/epw.md\nq-e-qe-7.5/EPW/examples/\nq-e-qe-7.5/EPW/examples/diamond/\nq-e-qe-7.5/EPW/examples/diamond/epw/\nq-e-qe-7.5/EPW/examples/diamond/epw/epw.in\nq-e-qe-7.5/EPW/examples/diamond/epw/epw2.in\nq-e-qe-7.5/EPW/examples/diamond/epw/epw3.in\nq-e-qe-7.5/EPW/examples/diamond/epw/epw4.in\nq-e-qe-7.5/EPW/examples/diamond/epw/meshes/\nq-e-qe-7.5/EPW/examples/diamond/epw/meshes/kgen.py\nq-e-qe-7.5/EPW/examples/diamond/epw/meshes/path.dat\nq-e-qe-7.5/EPW/examples/diamond/epw/nscf.in\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/decay.H\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/decay.P\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/decay.dynmat\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/decay.epmat_wanep\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/decay.epwane\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/diam.wout\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/epw.out\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/epw2.out\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/lifetime.phself_34\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/linewidth.elself_50\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/linewidth.phself_50\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/nscf.out\nq-e-qe-7.5/EPW/examples/diamond/epw/out.ref/scf.out\nq-e-qe-7.5/EPW/examples/diamond/epw/scf.in\nq-e-qe-7.5/EPW/examples/diamond/phonons/\nq-e-qe-7.5/EPW/examples/diamond/phonons/Ref/\nq-e-qe-7.5/EPW/examples/diamond/phonons/Ref/ph.out\nq-e-qe-7.5/EPW/examples/diamond/phonons/Ref/scf.out\nq-e-qe-7.5/EPW/examples/diamond/phonons/ph.in\nq-e-qe-7.5/EPW/examples/diamond/phonons/pp.py\nq-e-qe-7.5/EPW/examples/diamond/phonons/scf.in\nq-e-qe-7.5/EPW/examples/diamond/pp/\nq-e-qe-7.5/EPW/examples/diamond/pp/C_3.98148.UPF\nq-e-qe-7.5/EPW/examples/gan/\nq-e-qe-7.5/EPW/examples/gan/epw/\nq-e-qe-7.5/EPW/examples/gan/epw/epw.in\nq-e-qe-7.5/EPW/examples/gan/epw/gan_band.qpt\nq-e-qe-7.5/EPW/examples/gan/epw/nscf.in\nq-e-qe-7.5/EPW/examples/gan/epw/scf.in\nq-e-qe-7.5/EPW/examples/gan/phonons/\nq-e-qe-7.5/EPW/examples/gan/phonons/ph.in\nq-e-qe-7.5/EPW/examples/gan/phonons/pp.py\nq-e-qe-7.5/EPW/examples/gan/phonons/scf.in\nq-e-qe-7.5/EPW/examples/gan/pp/\nq-e-qe-7.5/EPW/examples/gan/pp/Ga_ONCV_LDA-1.0.upf\nq-e-qe-7.5/EPW/examples/gan/pp/N_ONCV_LDA-1.0.upf\nq-e-qe-7.5/EPW/examples/lif_hdf5/\nq-e-qe-7.5/EPW/examples/lif_hdf5/11-epsilon/\nq-e-qe-7.5/EPW/examples/lif_hdf5/11-epsilon/epsilon.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/11-epsilon/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/12-sigma/\nq-e-qe-7.5/EPW/examples/lif_hdf5/12-sigma/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/12-sigma/sigma.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/13-kernel/\nq-e-qe-7.5/EPW/examples/lif_hdf5/13-kernel/kernel.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/13-kernel/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/14-absorption/\nq-e-qe-7.5/EPW/examples/lif_hdf5/14-absorption/absorption.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/14-absorption/plotxct.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/14-absorption/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/14-absorption/summarize_eigenvectors.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/README.txt\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/epw1.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/epw2.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/epw3.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/path.kpt\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/ph.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/run.epw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/run.ph.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/epw/scf.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/01-Density/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/01-Density/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/01-Density/scf.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/run-pw2bgw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.pp.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/run-pw2bgw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.pp.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/run-pw2bgw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.pp.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/run-pw2bgw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.pp.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/run-pw2bgw.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.pp.in\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/espresso/link.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/generate_ex_band.py\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/link.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/run.bse.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/kernel.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/absorption.inp\nq-e-qe-7.5/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/run.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/pseudos/\nq-e-qe-7.5/EPW/examples/lif_hdf5/pseudos/F.upf\nq-e-qe-7.5/EPW/examples/lif_hdf5/pseudos/Li.upf\nq-e-qe-7.5/EPW/examples/lif_hdf5/run.espresso.sh\nq-e-qe-7.5/EPW/examples/lif_hdf5/setup.sh\nq-e-qe-7.5/EPW/examples/mgb2/\nq-e-qe-7.5/EPW/examples/mgb2/epw/\nq-e-qe-7.5/EPW/examples/mgb2/epw/epw.in\nq-e-qe-7.5/EPW/examples/mgb2/epw/nscf.in\nq-e-qe-7.5/EPW/examples/mgb2/epw/scf.in\nq-e-qe-7.5/EPW/examples/mgb2/phonons/\nq-e-qe-7.5/EPW/examples/mgb2/phonons/ph.in\nq-e-qe-7.5/EPW/examples/mgb2/phonons/pp.py\nq-e-qe-7.5/EPW/examples/mgb2/phonons/scf.in\nq-e-qe-7.5/EPW/examples/mgb2/pp/\nq-e-qe-7.5/EPW/examples/mgb2/pp/B.pz-vbc.UPF\nq-e-qe-7.5/EPW/examples/mgb2/pp/Mg.pz-n-vbc.UPF\nq-e-qe-7.5/EPW/examples/pb/\nq-e-qe-7.5/EPW/examples/pb/pp/\nq-e-qe-7.5/EPW/examples/pb/pp/pb_s.UPF\nq-e-qe-7.5/EPW/examples/pb/wSOC/\nq-e-qe-7.5/EPW/examples/pb/wSOC/epw/\nq-e-qe-7.5/EPW/examples/pb/wSOC/epw/epw.in\nq-e-qe-7.5/EPW/examples/pb/wSOC/epw/nscf.in\nq-e-qe-7.5/EPW/examples/pb/wSOC/epw/scf.in\nq-e-qe-7.5/EPW/examples/pb/wSOC/phonons/\nq-e-qe-7.5/EPW/examples/pb/wSOC/phonons/ph.in\nq-e-qe-7.5/EPW/examples/pb/wSOC/phonons/pp.py\nq-e-qe-7.5/EPW/examples/pb/wSOC/phonons/scf.in\nq-e-qe-7.5/EPW/examples/pb/woSOC/\nq-e-qe-7.5/EPW/examples/pb/woSOC/epw/\nq-e-qe-7.5/EPW/examples/pb/woSOC/epw/epw.in\nq-e-qe-7.5/EPW/examples/pb/woSOC/epw/nscf.in\nq-e-qe-7.5/EPW/examples/pb/woSOC/epw/scf.in\nq-e-qe-7.5/EPW/examples/pb/woSOC/phonons/\nq-e-qe-7.5/EPW/examples/pb/woSOC/phonons/ph.in\nq-e-qe-7.5/EPW/examples/pb/woSOC/phonons/pp.py\nq-e-qe-7.5/EPW/examples/pb/woSOC/phonons/scf.in\nq-e-qe-7.5/EPW/examples/sic/\nq-e-qe-7.5/EPW/examples/sic/epw/\nq-e-qe-7.5/EPW/examples/sic/epw/epw.in\nq-e-qe-7.5/EPW/examples/sic/epw/meshes/\nq-e-qe-7.5/EPW/examples/sic/epw/meshes/10.dat\nq-e-qe-7.5/EPW/examples/sic/epw/nscf.in\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/decay.H\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/decay.P\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/decay.dynmat\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/decay.epmat_wanep\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/decay.epwane\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/epw.out\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/nscf.out\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/scf.out\nq-e-qe-7.5/EPW/examples/sic/epw/out.ref/sic.wout\nq-e-qe-7.5/EPW/examples/sic/epw/scf.in\nq-e-qe-7.5/EPW/examples/sic/phonons/\nq-e-qe-7.5/EPW/examples/sic/phonons/out.ref/\nq-e-qe-7.5/EPW/examples/sic/phonons/out.ref/scf.out\nq-e-qe-7.5/EPW/examples/sic/phonons/ph.in\nq-e-qe-7.5/EPW/examples/sic/phonons/pp.py\nq-e-qe-7.5/EPW/examples/sic/phonons/scf.in\nq-e-qe-7.5/EPW/examples/sic/pp/\nq-e-qe-7.5/EPW/examples/sic/pp/C.UPF\nq-e-qe-7.5/EPW/examples/sic/pp/Si.pz-vbc.UPF\nq-e-qe-7.5/EPW/irobjs/\nq-e-qe-7.5/EPW/irobjs/Makefile\nq-e-qe-7.5/EPW/irobjs/README.md\nq-e-qe-7.5/EPW/irobjs/ir_nlambda5_ndigit6.dat\nq-e-qe-7.5/EPW/src/\nq-e-qe-7.5/EPW/src/Makefile\nq-e-qe-7.5/EPW/src/bloch2wannier.f90\nq-e-qe-7.5/EPW/src/close.f90\nq-e-qe-7.5/EPW/src/cumulant.f90\nq-e-qe-7.5/EPW/src/dvqpsi.f90\nq-e-qe-7.5/EPW/src/ep_coarse.f90\nq-e-qe-7.5/EPW/src/ep_coarse_unfolding.f90\nq-e-qe-7.5/EPW/src/ep_constants.f90\nq-e-qe-7.5/EPW/src/epw.f90\nq-e-qe-7.5/EPW/src/exphonon.f90\nq-e-qe-7.5/EPW/src/expolaron.f90\nq-e-qe-7.5/EPW/src/global_var.f90\nq-e-qe-7.5/EPW/src/indabs.f90\nq-e-qe-7.5/EPW/src/init.f90\nq-e-qe-7.5/EPW/src/input.f90\nq-e-qe-7.5/EPW/src/io/\nq-e-qe-7.5/EPW/src/io/change.sh\nq-e-qe-7.5/EPW/src/io/io.f90\nq-e-qe-7.5/EPW/src/io/io_ahc.f90\nq-e-qe-7.5/EPW/src/io/io_indabs.f90\nq-e-qe-7.5/EPW/src/io/io_selfen.f90\nq-e-qe-7.5/EPW/src/io/io_sparse_ir.f90\nq-e-qe-7.5/EPW/src/io/io_supercond.f90\nq-e-qe-7.5/EPW/src/io/io_transport.f90\nq-e-qe-7.5/EPW/src/io/io_var.f90\nq-e-qe-7.5/EPW/src/longrange.f90\nq-e-qe-7.5/EPW/src/phph.f90\nq-e-qe-7.5/EPW/src/polaron.f90\nq-e-qe-7.5/EPW/src/printing.f90\nq-e-qe-7.5/EPW/src/pw2wan.f90\nq-e-qe-7.5/EPW/src/qdabs.f90\nq-e-qe-7.5/EPW/src/readin.f90\nq-e-qe-7.5/EPW/src/selfen.f90\nq-e-qe-7.5/EPW/src/setups.f90\nq-e-qe-7.5/EPW/src/spectral.f90\nq-e-qe-7.5/EPW/src/stop.f90\nq-e-qe-7.5/EPW/src/summaries.f90\nq-e-qe-7.5/EPW/src/supercond.f90\nq-e-qe-7.5/EPW/src/supercond_aniso.f90\nq-e-qe-7.5/EPW/src/supercond_common.f90\nq-e-qe-7.5/EPW/src/supercond_coul.f90\nq-e-qe-7.5/EPW/src/supercond_driver.f90\nq-e-qe-7.5/EPW/src/supercond_iso.f90\nq-e-qe-7.5/EPW/src/supercond_vertex.f90\nq-e-qe-7.5/EPW/src/tdbe_common.f90\nq-e-qe-7.5/EPW/src/tdbe_driver.f90\nq-e-qe-7.5/EPW/src/tdbe_mod.f90\nq-e-qe-7.5/EPW/src/transport.f90\nq-e-qe-7.5/EPW/src/transport_legacy.f90\nq-e-qe-7.5/EPW/src/transport_mag.f90\nq-e-qe-7.5/EPW/src/use_wannier.f90\nq-e-qe-7.5/EPW/src/utilities/\nq-e-qe-7.5/EPW/src/utilities/bcast_input.f90\nq-e-qe-7.5/EPW/src/utilities/bzgrid.f90\nq-e-qe-7.5/EPW/src/utilities/change.sh\nq-e-qe-7.5/EPW/src/utilities/check_deps.sh\nq-e-qe-7.5/EPW/src/utilities/clean_unused_modules.py\nq-e-qe-7.5/EPW/src/utilities/clean_unused_variables.py\nq-e-qe-7.5/EPW/src/utilities/kfold.f90\nq-e-qe-7.5/EPW/src/utilities/kgen.f90\nq-e-qe-7.5/EPW/src/utilities/low_lvl.f90\nq-e-qe-7.5/EPW/src/utilities/nscf2supercond.f90\nq-e-qe-7.5/EPW/src/utilities/parallelism.f90\nq-e-qe-7.5/EPW/src/utilities/screening.f90\nq-e-qe-7.5/EPW/src/utilities/sparse_ir.f90\nq-e-qe-7.5/EPW/src/utilities/symmetry.f90\nq-e-qe-7.5/EPW/src/utilities/utilities.f90\nq-e-qe-7.5/EPW/src/wann_common.f90\nq-e-qe-7.5/EPW/src/wannier.f90\nq-e-qe-7.5/EPW/src/wannier2bloch.f90\nq-e-qe-7.5/EPW/src/wannier2bloch_opt.f90\nq-e-qe-7.5/EPW/src/wannierization.f90\nq-e-qe-7.5/EPW/src/wfpt.f90\nq-e-qe-7.5/EPW/src/wigner.f90\nq-e-qe-7.5/FFTXlib/\nq-e-qe-7.5/FFTXlib/CMakeLists.txt\nq-e-qe-7.5/FFTXlib/Makefile\nq-e-qe-7.5/FFTXlib/README.md\nq-e-qe-7.5/FFTXlib/examples/\nq-e-qe-7.5/FFTXlib/examples/reference/\nq-e-qe-7.5/FFTXlib/examples/reference/fft_test0.out\nq-e-qe-7.5/FFTXlib/examples/run_example\nq-e-qe-7.5/FFTXlib/src/\nq-e-qe-7.5/FFTXlib/src/CMakeLists.txt\nq-e-qe-7.5/FFTXlib/src/Makefile\nq-e-qe-7.5/FFTXlib/src/fft_buffers.f90\nq-e-qe-7.5/FFTXlib/src/fft_error.f90\nq-e-qe-7.5/FFTXlib/src/fft_fwinv.f90\nq-e-qe-7.5/FFTXlib/src/fft_ggen.f90\nq-e-qe-7.5/FFTXlib/src/fft_helper_subroutines.f90\nq-e-qe-7.5/FFTXlib/src/fft_interfaces.f90\nq-e-qe-7.5/FFTXlib/src/fft_interpolate.f90\nq-e-qe-7.5/FFTXlib/src/fft_parallel.f90\nq-e-qe-7.5/FFTXlib/src/fft_parallel_2d.f90\nq-e-qe-7.5/FFTXlib/src/fft_param.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.DFTI.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.ESSL.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.FFTW.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.FFTW3.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.SX6.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.cuFFT.f90\nq-e-qe-7.5/FFTXlib/src/fft_scalar.f90\nq-e-qe-7.5/FFTXlib/src/fft_scatter.f90\nq-e-qe-7.5/FFTXlib/src/fft_scatter_2d.f90\nq-e-qe-7.5/FFTXlib/src/fft_scatter_2d_gpu.f90\nq-e-qe-7.5/FFTXlib/src/fft_scatter_gpu.f90\nq-e-qe-7.5/FFTXlib/src/fft_smallbox.f90\nq-e-qe-7.5/FFTXlib/src/fft_smallbox_type.f90\nq-e-qe-7.5/FFTXlib/src/fft_stick.c\nq-e-qe-7.5/FFTXlib/src/fft_support.f90\nq-e-qe-7.5/FFTXlib/src/fft_types.f90\nq-e-qe-7.5/FFTXlib/src/fftw.c\nq-e-qe-7.5/FFTXlib/src/fftw.h\nq-e-qe-7.5/FFTXlib/src/fftw_dp.c\nq-e-qe-7.5/FFTXlib/src/fftw_dp.h\nq-e-qe-7.5/FFTXlib/src/fftw_interfaces.f90\nq-e-qe-7.5/FFTXlib/src/fftw_sp.c\nq-e-qe-7.5/FFTXlib/src/fftw_sp.h\nq-e-qe-7.5/FFTXlib/src/konst.h\nq-e-qe-7.5/FFTXlib/src/scatter_mod.f90\nq-e-qe-7.5/FFTXlib/src/stick_base.f90\nq-e-qe-7.5/FFTXlib/src/tg_gather.f90\nq-e-qe-7.5/FFTXlib/tests/\nq-e-qe-7.5/FFTXlib/tests/CMakeLists.txt\nq-e-qe-7.5/FFTXlib/tests/Makefile\nq-e-qe-7.5/FFTXlib/tests/fft_test.f90\nq-e-qe-7.5/FFTXlib/tests/gen_test_params.py\nq-e-qe-7.5/FFTXlib/tests/recips.f90\nq-e-qe-7.5/FFTXlib/tests/sort.f90\nq-e-qe-7.5/FFTXlib/tests/test_fft_scalar_gpu.f90\nq-e-qe-7.5/FFTXlib/tests/test_fft_scatter_mod_gpu.f90\nq-e-qe-7.5/FFTXlib/tests/test_fwinv_gpu.f90\nq-e-qe-7.5/FFTXlib/tests/tester.f90\nq-e-qe-7.5/FFTXlib/tests/utils.f90\nq-e-qe-7.5/GUI/\nq-e-qe-7.5/GUI/CMakeLists.txt\nq-e-qe-7.5/GUI/Guib/\nq-e-qe-7.5/GUI/Guib/AUTHORS\nq-e-qe-7.5/GUI/Guib/BUGS\nq-e-qe-7.5/GUI/Guib/COPYING\nq-e-qe-7.5/GUI/Guib/COPYRIGHT\nq-e-qe-7.5/GUI/Guib/ChangeLog\nq-e-qe-7.5/GUI/Guib/INSTALL\nq-e-qe-7.5/GUI/Guib/Makefile\nq-e-qe-7.5/GUI/Guib/NEWS\nq-e-qe-7.5/GUI/Guib/README\nq-e-qe-7.5/GUI/Guib/THANKS\nq-e-qe-7.5/GUI/Guib/TODO\nq-e-qe-7.5/GUI/Guib/VERSION\nq-e-qe-7.5/GUI/Guib/doc/\nq-e-qe-7.5/GUI/Guib/doc/Makefile\nq-e-qe-7.5/GUI/Guib/doc/diagrams/\nq-e-qe-7.5/GUI/Guib/doc/diagrams/GUI-new.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/GUI-new.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/GUI-open.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/GUI-open.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/Guib.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/Guib.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/Makefile\nq-e-qe-7.5/GUI/Guib/doc/diagrams/PWgui.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/PWgui.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/myGUI.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/myGUI.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/myGUI.tcl\nq-e-qe-7.5/GUI/Guib/doc/diagrams/parsing.dia\nq-e-qe-7.5/GUI/Guib/doc/diagrams/parsing.png\nq-e-qe-7.5/GUI/Guib/doc/diagrams/topng.sh\nq-e-qe-7.5/GUI/Guib/doc/robodoc.rc\nq-e-qe-7.5/GUI/Guib/doc/usage.tex\nq-e-qe-7.5/GUI/Guib/examples/\nq-e-qe-7.5/GUI/Guib/examples/README\nq-e-qe-7.5/GUI/Guib/examples/dimension.inp\nq-e-qe-7.5/GUI/Guib/examples/dimension.tcl\nq-e-qe-7.5/GUI/Guib/examples/kpoints.inp\nq-e-qe-7.5/GUI/Guib/examples/kpoints.tcl\nq-e-qe-7.5/GUI/Guib/examples/pages.inp\nq-e-qe-7.5/GUI/Guib/examples/pages.tcl\nq-e-qe-7.5/GUI/Guib/examples/run.sh\nq-e-qe-7.5/GUI/Guib/examples/simpleSim.inp\nq-e-qe-7.5/GUI/Guib/examples/simpleSim.tcl\nq-e-qe-7.5/GUI/Guib/examples/two_pages.tcl\nq-e-qe-7.5/GUI/Guib/examples/validate.inp\nq-e-qe-7.5/GUI/Guib/examples/validate.tcl\nq-e-qe-7.5/GUI/Guib/external/\nq-e-qe-7.5/GUI/Guib/external/lib/\nq-e-qe-7.5/GUI/Guib/external/lib/cmdline/\nq-e-qe-7.5/GUI/Guib/external/lib/cmdline/cmdline.tcl\nq-e-qe-7.5/GUI/Guib/external/lib/cmdline/pkgIndex.tcl\nq-e-qe-7.5/GUI/Guib/external/lib/fileutil/\nq-e-qe-7.5/GUI/Guib/external/lib/fileutil/fileutil.tcl\nq-e-qe-7.5/GUI/Guib/external/lib/fileutil/pkgIndex.tcl\nq-e-qe-7.5/GUI/Guib/external/lib/license.terms\nq-e-qe-7.5/GUI/Guib/external/lib/pkgIndex.tcl\nq-e-qe-7.5/GUI/Guib/guib\nq-e-qe-7.5/GUI/Guib/guib.bat\nq-e-qe-7.5/GUI/Guib/guib.tcl\nq-e-qe-7.5/GUI/Guib/guib.theme\nq-e-qe-7.5/GUI/Guib/header.tcl\nq-e-qe-7.5/GUI/Guib/images/\nq-e-qe-7.5/GUI/Guib/images/exit2.gif\nq-e-qe-7.5/GUI/Guib/images/fileclose2.gif\nq-e-qe-7.5/GUI/Guib/images/filenew2.gif\nq-e-qe-7.5/GUI/Guib/images/fileopen2.gif\nq-e-qe-7.5/GUI/Guib/images/filesave2.gif\nq-e-qe-7.5/GUI/Guib/images/filesaveas2.gif\nq-e-qe-7.5/GUI/Guib/images/icons.license\nq-e-qe-7.5/GUI/Guib/init.tcl\nq-e-qe-7.5/GUI/Guib/lib/\nq-e-qe-7.5/GUI/Guib/lib/Makefile\nq-e-qe-7.5/GUI/Guib/lib/aindex\nq-e-qe-7.5/GUI/Guib/lib/header.tcl\nq-e-qe-7.5/GUI/Guib/lib/pkgIndex.tcl\nq-e-qe-7.5/GUI/Guib/lib/tclIndex\nq-e-qe-7.5/GUI/Guib/lib/tclUtils.tcl\nq-e-qe-7.5/GUI/Guib/lib/tkUtils.tcl\nq-e-qe-7.5/GUI/Guib/pkgIndex.tcl\nq-e-qe-7.5/GUI/Guib/src/\nq-e-qe-7.5/GUI/Guib/src/Makefile\nq-e-qe-7.5/GUI/Guib/src/aindex\nq-e-qe-7.5/GUI/Guib/src/build.itcl\nq-e-qe-7.5/GUI/Guib/src/dialogshell.itcl\nq-e-qe-7.5/GUI/Guib/src/fnml.tcl\nq-e-qe-7.5/GUI/Guib/src/gui.itcl\nq-e-qe-7.5/GUI/Guib/src/guib-keywords-def.tcl\nq-e-qe-7.5/GUI/Guib/src/guib.itcl\nq-e-qe-7.5/GUI/Guib/src/guibKeywords.itcl\nq-e-qe-7.5/GUI/Guib/src/guibUtils.itcl\nq-e-qe-7.5/GUI/Guib/src/help.itcl\nq-e-qe-7.5/GUI/Guib/src/keywidgets.itcl\nq-e-qe-7.5/GUI/Guib/src/keywordObj.itcl\nq-e-qe-7.5/GUI/Guib/src/moduleObj.itcl\nq-e-qe-7.5/GUI/Guib/src/open.itcl\nq-e-qe-7.5/GUI/Guib/src/optionmenuhelp.itcl\nq-e-qe-7.5/GUI/Guib/src/radioboxhelp.itcl\nq-e-qe-7.5/GUI/Guib/src/save.itcl\nq-e-qe-7.5/GUI/Guib/src/simpleGui.itcl\nq-e-qe-7.5/GUI/Guib/src/spininthelp.itcl\nq-e-qe-7.5/GUI/Guib/src/store.itcl\nq-e-qe-7.5/GUI/Guib/src/table.itcl\nq-e-qe-7.5/GUI/Guib/src/tclIndex\nq-e-qe-7.5/GUI/Guib/src/text.itcl\nq-e-qe-7.5/GUI/Guib/src/validate.itcl\nq-e-qe-7.5/GUI/Guib/src/widgets.itcl\nq-e-qe-7.5/GUI/Guib/sys_utils/\nq-e-qe-7.5/GUI/Guib/sys_utils/mgt.tabs\nq-e-qe-7.5/GUI/Guib/sys_utils/repack.sh\nq-e-qe-7.5/GUI/Makefile\nq-e-qe-7.5/GUI/PWgui/\nq-e-qe-7.5/GUI/PWgui/AUTHORS\nq-e-qe-7.5/GUI/PWgui/BUGS\nq-e-qe-7.5/GUI/PWgui/COPYING\nq-e-qe-7.5/GUI/PWgui/COPYRIGHT\nq-e-qe-7.5/GUI/PWgui/ChangeLog\nq-e-qe-7.5/GUI/PWgui/INSTALL\nq-e-qe-7.5/GUI/PWgui/INSTALL.repository\nq-e-qe-7.5/GUI/PWgui/Makefile\nq-e-qe-7.5/GUI/PWgui/NEWS\nq-e-qe-7.5/GUI/PWgui/README\nq-e-qe-7.5/GUI/PWgui/README.developer\nq-e-qe-7.5/GUI/PWgui/THANKS\nq-e-qe-7.5/GUI/PWgui/TODO\nq-e-qe-7.5/GUI/PWgui/VERSION\nq-e-qe-7.5/GUI/PWgui/doc/\nq-e-qe-7.5/GUI/PWgui/doc/Makefile\nq-e-qe-7.5/GUI/PWgui/doc/htmlise.sh\nq-e-qe-7.5/GUI/PWgui/examples/\nq-e-qe-7.5/GUI/PWgui/examples/atomic/\nq-e-qe-7.5/GUI/PWgui/examples/atomic/pt.all_electron.in\nq-e-qe-7.5/GUI/PWgui/examples/atomic/pt.pseudo_gen.in\nq-e-qe-7.5/GUI/PWgui/examples/atomic/rh.pseudo_test.in\nq-e-qe-7.5/GUI/PWgui/examples/d3/\nq-e-qe-7.5/GUI/PWgui/examples/d3/sample.d3.inp\nq-e-qe-7.5/GUI/PWgui/examples/neb.dat/\nq-e-qe-7.5/GUI/PWgui/examples/neb.dat/neb.dat\nq-e-qe-7.5/GUI/PWgui/examples/ph/\nq-e-qe-7.5/GUI/PWgui/examples/ph/sample.ph.inp\nq-e-qe-7.5/GUI/PWgui/examples/pp/\nq-e-qe-7.5/GUI/PWgui/examples/pp/psi2-noncolin.pp.in\nq-e-qe-7.5/GUI/PWgui/examples/pp/psi2-v2.pp.inp\nq-e-qe-7.5/GUI/PWgui/examples/pp/psi2.pp.inp\nq-e-qe-7.5/GUI/PWgui/examples/projwfc/\nq-e-qe-7.5/GUI/PWgui/examples/projwfc/sample.pr.inp\nq-e-qe-7.5/GUI/PWgui/examples/pw/\nq-e-qe-7.5/GUI/PWgui/examples/pw/Si_band.pw.inp\nq-e-qe-7.5/GUI/PWgui/examples/pw/Si_scf.pw.inp\nq-e-qe-7.5/GUI/PWgui/examples/pw/abc.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/addit-k-points.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/additional_k_points\nq-e-qe-7.5/GUI/PWgui/examples/pw/al.band.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/al.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/atomic_positions\nq-e-qe-7.5/GUI/PWgui/examples/pw/cu.band.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/cu.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/hubbard+occup.pw.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/hubbard.pw.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/k_points\nq-e-qe-7.5/GUI/PWgui/examples/pw/ni.band.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/ni.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/occup+hubbard.pw.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/occupations.pw.inp\nq-e-qe-7.5/GUI/PWgui/examples/pw/sample.pw.inp\nq-e-qe-7.5/GUI/PWgui/examples/pw/si.band.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/si.scf.in\nq-e-qe-7.5/GUI/PWgui/examples/pw/vdw_corr.in\nq-e-qe-7.5/GUI/PWgui/external/\nq-e-qe-7.5/GUI/PWgui/external/lib/\nq-e-qe-7.5/GUI/PWgui/external/lib/Makefile\nq-e-qe-7.5/GUI/PWgui/external/lib/license.terms\nq-e-qe-7.5/GUI/PWgui/external/src/\nq-e-qe-7.5/GUI/PWgui/external/src/Makefile\nq-e-qe-7.5/GUI/PWgui/external/src/license.terms\nq-e-qe-7.5/GUI/PWgui/external/src/tkAppInit.c\nq-e-qe-7.5/GUI/PWgui/header.tcl\nq-e-qe-7.5/GUI/PWgui/images/\nq-e-qe-7.5/GUI/PWgui/images/license.terms\nq-e-qe-7.5/GUI/PWgui/images/pwgui-logo.gif\nq-e-qe-7.5/GUI/PWgui/images/pwgui-logo.xcf.bz2\nq-e-qe-7.5/GUI/PWgui/images/pwscf-logo.gif\nq-e-qe-7.5/GUI/PWgui/init.tcl\nq-e-qe-7.5/GUI/PWgui/lib/\nq-e-qe-7.5/GUI/PWgui/lib/.dont-delete\nq-e-qe-7.5/GUI/PWgui/make.usage\nq-e-qe-7.5/GUI/PWgui/modules/\nq-e-qe-7.5/GUI/PWgui/modules/atomic/\nq-e-qe-7.5/GUI/PWgui/modules/atomic/atomic-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/atomic/atomic-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/atomic/atomic.tcl\nq-e-qe-7.5/GUI/PWgui/modules/atomic/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/bands/\nq-e-qe-7.5/GUI/PWgui/modules/bands/bands-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/bands/bands-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/bands/bands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/bands/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/d3/\nq-e-qe-7.5/GUI/PWgui/modules/d3/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/d3/d3-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/d3/d3-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/d3/d3.tcl\nq-e-qe-7.5/GUI/PWgui/modules/dos/\nq-e-qe-7.5/GUI/PWgui/modules/dos/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/dos/dos-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/dos/dos-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/dos/dos.tcl\nq-e-qe-7.5/GUI/PWgui/modules/hp/\nq-e-qe-7.5/GUI/PWgui/modules/hp/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/hp/hp-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/hp/hp-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/hp/hp.tcl\nq-e-qe-7.5/GUI/PWgui/modules/neb/\nq-e-qe-7.5/GUI/PWgui/modules/neb/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/neb/neb-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/neb/neb-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/neb/neb.tcl\nq-e-qe-7.5/GUI/PWgui/modules/ph/\nq-e-qe-7.5/GUI/PWgui/modules/ph/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/ph/ph-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/ph/ph-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/ph/ph.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pp/\nq-e-qe-7.5/GUI/PWgui/modules/pp/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pp/pp-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pp/pp-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pp/pp.tcl\nq-e-qe-7.5/GUI/PWgui/modules/projwfc/\nq-e-qe-7.5/GUI/PWgui/modules/projwfc/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/projwfc/projwfc-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/projwfc/projwfc-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/projwfc/projwfc.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pw/\nq-e-qe-7.5/GUI/PWgui/modules/pw/commands.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pw/pw-event.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pw/pw-help.tcl\nq-e-qe-7.5/GUI/PWgui/modules/pw/pw.tcl\nq-e-qe-7.5/GUI/PWgui/pwgui\nq-e-qe-7.5/GUI/PWgui/pwgui.bat\nq-e-qe-7.5/GUI/PWgui/pwgui.settings\nq-e-qe-7.5/GUI/PWgui/pwgui.tcl\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/MakeDir.sh\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/Makefile\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/README\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/darwin-ppc.sh\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/linux-x86.sh\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/linux-x86_64.sh\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/make.darwin\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/make.linux\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/make.win32\nq-e-qe-7.5/GUI/PWgui/pwgui_vfs/win32.sh\nq-e-qe-7.5/GUI/PWgui/src/\nq-e-qe-7.5/GUI/PWgui/src/Makefile\nq-e-qe-7.5/GUI/PWgui/src/about.html\nq-e-qe-7.5/GUI/PWgui/src/aindex\nq-e-qe-7.5/GUI/PWgui/src/auxil.itcl\nq-e-qe-7.5/GUI/PWgui/src/edit.itcl\nq-e-qe-7.5/GUI/PWgui/src/init.itcl\nq-e-qe-7.5/GUI/PWgui/src/menustate.itcl\nq-e-qe-7.5/GUI/PWgui/src/modutil.itcl\nq-e-qe-7.5/GUI/PWgui/src/pwscf.itcl\nq-e-qe-7.5/GUI/PWgui/src/pwscf.theme\nq-e-qe-7.5/GUI/PWgui/src/run.itcl\nq-e-qe-7.5/GUI/PWgui/src/settings.itcl\nq-e-qe-7.5/GUI/PWgui/src/tclIndex\nq-e-qe-7.5/GUI/PWgui/src/view.itcl\nq-e-qe-7.5/GUI/PWgui/sys_utils/\nq-e-qe-7.5/GUI/PWgui/sys_utils/bin.sh\nq-e-qe-7.5/GUI/PWgui/sys_utils/make.guib\nq-e-qe-7.5/GUI/PWgui/sys_utils/publish.sh\nq-e-qe-7.5/GUI/PWgui/sys_utils/repack.sh\nq-e-qe-7.5/GUI/PWgui/sys_utils/starkit.sh\nq-e-qe-7.5/GUI/PWgui/tests/\nq-e-qe-7.5/GUI/PWgui/tests/run-tests.sh\nq-e-qe-7.5/GUI/QE-modes/\nq-e-qe-7.5/GUI/QE-modes/Doc/\nq-e-qe-7.5/GUI/QE-modes/Doc/Makefile\nq-e-qe-7.5/GUI/QE-modes/Doc/highlight.png\nq-e-qe-7.5/GUI/QE-modes/Doc/insert-template.png\nq-e-qe-7.5/GUI/QE-modes/Doc/user_guide.pdf\nq-e-qe-7.5/GUI/QE-modes/Doc/user_guide.tex\nq-e-qe-7.5/GUI/QE-modes/Makefile\nq-e-qe-7.5/GUI/QE-modes/README\nq-e-qe-7.5/GUI/QE-modes/README.repository\nq-e-qe-7.5/GUI/QE-modes/THANKS\nq-e-qe-7.5/GUI/QE-modes/install.sh\nq-e-qe-7.5/GUI/QE-modes/qe-modes.emacs\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/README\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/autoload-specific.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/bands.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/card-noflags.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/card.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/cp.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/dos.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/dynmat.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/header.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/insert-template.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/ld1.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/namelist.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/neb.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/ph.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/pp.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/projwfc.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/pw.in\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/pwtk-mode.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/qe-all-modes.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/qe-all-modes.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/qe-funcs.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/qe-mode.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/qe-modes.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/stringvar.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/supercard-open.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/supercard.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes.templates/var.el.tcl\nq-e-qe-7.5/GUI/QE-modes/qe-modes/\nq-e-qe-7.5/GUI/QE-modes/qe-modes/cp-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/ld1-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/neb-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/ph-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/pp-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/pw-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/pwtk-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/qe-funcs.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/qe-mode.el\nq-e-qe-7.5/GUI/QE-modes/qe-modes/qe-modes.el\nq-e-qe-7.5/GUI/README\nq-e-qe-7.5/GWW/\nq-e-qe-7.5/GWW/CMakeLists.txt\nq-e-qe-7.5/GWW/Makefile\nq-e-qe-7.5/GWW/bse/\nq-e-qe-7.5/GWW/bse/Makefile\nq-e-qe-7.5/GWW/bse/absorption.f90\nq-e-qe-7.5/GWW/bse/bse_basic_structure.f90\nq-e-qe-7.5/GWW/bse/bse_main.f90\nq-e-qe-7.5/GWW/bse/bse_wannier.f90\nq-e-qe-7.5/GWW/bse/cgsolve.f90\nq-e-qe-7.5/GWW/bse/check_basis.f90\nq-e-qe-7.5/GWW/bse/conj_grad_stuff.f90\nq-e-qe-7.5/GWW/bse/conjgrad.f90\nq-e-qe-7.5/GWW/bse/contract_w_exc.f90\nq-e-qe-7.5/GWW/bse/diago_exc.f90\nq-e-qe-7.5/GWW/bse/direct_v_exc.f90\nq-e-qe-7.5/GWW/bse/direct_w_exc.f90\nq-e-qe-7.5/GWW/bse/direct_www.f90\nq-e-qe-7.5/GWW/bse/dvpsi_bse.f90\nq-e-qe-7.5/GWW/bse/exc_h_a.f90\nq-e-qe-7.5/GWW/bse/exchange_exc.f90\nq-e-qe-7.5/GWW/bse/exciton.f90\nq-e-qe-7.5/GWW/bse/find_eig.f90\nq-e-qe-7.5/GWW/bse/h_h.f90\nq-e-qe-7.5/GWW/bse/lanczos.f90\nq-e-qe-7.5/GWW/bse/openfil_bse.f90\nq-e-qe-7.5/GWW/bse/plot_excwfn.f90\nq-e-qe-7.5/GWW/bse/print_bse.f90\nq-e-qe-7.5/GWW/bse/print_spectrum.f90\nq-e-qe-7.5/GWW/bse/qpcorrections.f90\nq-e-qe-7.5/GWW/bse/qpe_exc.f90\nq-e-qe-7.5/GWW/bse/read_export.f90\nq-e-qe-7.5/GWW/bse/rotate_wannier.f90\nq-e-qe-7.5/GWW/bse/sdescent.f90\nq-e-qe-7.5/GWW/bse/spectrum.f90\nq-e-qe-7.5/GWW/bse/start_bse.f90\nq-e-qe-7.5/GWW/bse/tmp.f90\nq-e-qe-7.5/GWW/bse/transitions.f90\nq-e-qe-7.5/GWW/bse/tspace.f90\nq-e-qe-7.5/GWW/bse/write_wannier_matrix.f90\nq-e-qe-7.5/GWW/doc/\nq-e-qe-7.5/GWW/doc/README\nq-e-qe-7.5/GWW/doc/make.sys_SCALAPACK\nq-e-qe-7.5/GWW/examples/\nq-e-qe-7.5/GWW/examples/README\nq-e-qe-7.5/GWW/examples/example01/\nq-e-qe-7.5/GWW/examples/example01/methane_gww.in\nq-e-qe-7.5/GWW/examples/example01/methane_gww_steps.in\nq-e-qe-7.5/GWW/examples/example01/methane_pw4gww.in\nq-e-qe-7.5/GWW/examples/example01/methane_pw4gww_basis.in\nq-e-qe-7.5/GWW/examples/example01/methane_pw4gww_steps.in\nq-e-qe-7.5/GWW/examples/example01/methane_scf.in\nq-e-qe-7.5/GWW/examples/example01/methane_scf_25.in\nq-e-qe-7.5/GWW/examples/example01/methane_scf_35.in\nq-e-qe-7.5/GWW/examples/example01/reference/\nq-e-qe-7.5/GWW/examples/example01/reference/methane_gww.out\nq-e-qe-7.5/GWW/examples/example01/reference/methane_pw4gww.out\nq-e-qe-7.5/GWW/examples/example01/reference/methane_scf.out\nq-e-qe-7.5/GWW/examples/example01/run_example\nq-e-qe-7.5/GWW/examples/example02/\nq-e-qe-7.5/GWW/examples/example02/reference/\nq-e-qe-7.5/GWW/examples/example02/reference/si_gww.out\nq-e-qe-7.5/GWW/examples/example02/reference/si_head.out\nq-e-qe-7.5/GWW/examples/example02/reference/si_nscf.out\nq-e-qe-7.5/GWW/examples/example02/reference/si_pw4gww.out\nq-e-qe-7.5/GWW/examples/example02/reference/si_scf_k.out\nq-e-qe-7.5/GWW/examples/example02/run_example\nq-e-qe-7.5/GWW/examples/example02/si_gww.in\nq-e-qe-7.5/GWW/examples/example02/si_head.in\nq-e-qe-7.5/GWW/examples/example02/si_nscf.in\nq-e-qe-7.5/GWW/examples/example02/si_pw4gww.in\nq-e-qe-7.5/GWW/examples/example02/si_pw4gww_planewaves.in\nq-e-qe-7.5/GWW/examples/example02/si_scf_k.in\nq-e-qe-7.5/GWW/examples/example03/\nq-e-qe-7.5/GWW/examples/example03/run_example\nq-e-qe-7.5/GWW/examples/example04/\nq-e-qe-7.5/GWW/examples/example04/Ag_ONCV_PBE-1.0.upf\nq-e-qe-7.5/GWW/examples/example04/README\nq-e-qe-7.5/GWW/examples/example04/reference/\nq-e-qe-7.5/GWW/examples/example04/reference/ag.dos_broadening.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.eels.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.eps_inter_im.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.eps_inter_re.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.eps_tot_im.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.eps_tot_re.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.jdos.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag.optical_constants.dat\nq-e-qe-7.5/GWW/examples/example04/reference/ag_nscf.in\nq-e-qe-7.5/GWW/examples/example04/reference/ag_nscf.out\nq-e-qe-7.5/GWW/examples/example04/reference/ag_scf.in\nq-e-qe-7.5/GWW/examples/example04/reference/ag_scf.out\nq-e-qe-7.5/GWW/examples/example04/reference/ag_simple.in\nq-e-qe-7.5/GWW/examples/example04/reference/ag_simple.out\nq-e-qe-7.5/GWW/examples/example04/reference/ag_simple_ip.in\nq-e-qe-7.5/GWW/examples/example04/reference/ag_simple_ip.out\nq-e-qe-7.5/GWW/examples/example04/reference/pippo.txt\nq-e-qe-7.5/GWW/examples/example04/run_example\nq-e-qe-7.5/GWW/examples/example05/\nq-e-qe-7.5/GWW/examples/example05/reference/\nq-e-qe-7.5/GWW/examples/example05/reference/ab_coeff.dat\nq-e-qe-7.5/GWW/examples/example05/reference/abcoeff_to_eps.in\nq-e-qe-7.5/GWW/examples/example05/reference/abcoeff_to_eps.tmp\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps1x.dat\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps1y.dat\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps1z.dat\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps2x.dat\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps2y.dat\nq-e-qe-7.5/GWW/examples/example05/reference/lanczos.eps2z.dat\nq-e-qe-7.5/GWW/examples/example05/reference/si_gww.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_gww.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_head.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_head.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_nscf.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_nscf.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_nscf_k.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_nscf_k.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_pw4gww.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_pw4gww.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_scf_k.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_scf_k.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_simple.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_simple.out\nq-e-qe-7.5/GWW/examples/example05/reference/si_simple_bse.in\nq-e-qe-7.5/GWW/examples/example05/reference/si_simple_bse.out\nq-e-qe-7.5/GWW/examples/example05/run_example\nq-e-qe-7.5/GWW/examples/example06/\nq-e-qe-7.5/GWW/examples/example06/reference/\nq-e-qe-7.5/GWW/examples/example06/reference/silane_bse.out\nq-e-qe-7.5/GWW/examples/example06/reference/silane_pw4gww.out\nq-e-qe-7.5/GWW/examples/example06/reference/silane_scf.out\nq-e-qe-7.5/GWW/examples/example06/run_example\nq-e-qe-7.5/GWW/gww/\nq-e-qe-7.5/GWW/gww/Makefile\nq-e-qe-7.5/GWW/gww/basic_structures.f90\nq-e-qe-7.5/GWW/gww/compact_product.f90\nq-e-qe-7.5/GWW/gww/contour.f90\nq-e-qe-7.5/GWW/gww/create_hf.f90\nq-e-qe-7.5/GWW/gww/create_quasi_particle.f90\nq-e-qe-7.5/GWW/gww/create_quasi_particle_off.f90\nq-e-qe-7.5/GWW/gww/do_contour.f90\nq-e-qe-7.5/GWW/gww/do_polarization_lanczos.f90\nq-e-qe-7.5/GWW/gww/do_self_lanczos.f90\nq-e-qe-7.5/GWW/gww/do_self_lanczos_full.f90\nq-e-qe-7.5/GWW/gww/do_self_lanczos_time.f90\nq-e-qe-7.5/GWW/gww/energies_gww.f90\nq-e-qe-7.5/GWW/gww/expansion.f90\nq-e-qe-7.5/GWW/gww/fft_gw.f90\nq-e-qe-7.5/GWW/gww/fit_multipole.f90\nq-e-qe-7.5/GWW/gww/fit_polynomial.f90\nq-e-qe-7.5/GWW/gww/go_dressed_w.f90\nq-e-qe-7.5/GWW/gww/go_exchange.f90\nq-e-qe-7.5/GWW/gww/go_fft.f90\nq-e-qe-7.5/GWW/gww/go_green.f90\nq-e-qe-7.5/GWW/gww/go_polarization.f90\nq-e-qe-7.5/GWW/gww/green_function.f90\nq-e-qe-7.5/GWW/gww/gv_time.f90\nq-e-qe-7.5/GWW/gww/gww.f90\nq-e-qe-7.5/GWW/gww/gww_fit.f90\nq-e-qe-7.5/GWW/gww/input_gw.f90\nq-e-qe-7.5/GWW/gww/lanczos_polarization.f90\nq-e-qe-7.5/GWW/gww/para_gww.f90\nq-e-qe-7.5/GWW/gww/polarization.f90\nq-e-qe-7.5/GWW/gww/read_data_pw.f90\nq-e-qe-7.5/GWW/gww/remainder.f90\nq-e-qe-7.5/GWW/gww/self_energy.f90\nq-e-qe-7.5/GWW/gww/self_energy_storage.f90\nq-e-qe-7.5/GWW/gww/start_end.f90\nq-e-qe-7.5/GWW/gww/times_gw.f90\nq-e-qe-7.5/GWW/gww/vcprim.f90\nq-e-qe-7.5/GWW/head/\nq-e-qe-7.5/GWW/head/Makefile\nq-e-qe-7.5/GWW/head/bcast_gwl_input.f90\nq-e-qe-7.5/GWW/head/close_gwl.f90\nq-e-qe-7.5/GWW/head/gwl_readin.f90\nq-e-qe-7.5/GWW/head/head.f90\nq-e-qe-7.5/GWW/head/lanczos_k.f90\nq-e-qe-7.5/GWW/head/openfilq_gwl.f90\nq-e-qe-7.5/GWW/head/solve_head.f90\nq-e-qe-7.5/GWW/minpack/\nq-e-qe-7.5/GWW/minpack/Makefile\nq-e-qe-7.5/GWW/minpack/dpmpar.f90\nq-e-qe-7.5/GWW/minpack/enorm.f90\nq-e-qe-7.5/GWW/minpack/fdjac2.f90\nq-e-qe-7.5/GWW/minpack/lmder.f90\nq-e-qe-7.5/GWW/minpack/lmder1.f90\nq-e-qe-7.5/GWW/minpack/lmdif.f90\nq-e-qe-7.5/GWW/minpack/lmdif1.f90\nq-e-qe-7.5/GWW/minpack/lmpar.f90\nq-e-qe-7.5/GWW/minpack/mlagzo.f90\nq-e-qe-7.5/GWW/minpack/mlegzo.f90\nq-e-qe-7.5/GWW/minpack/qrfac.f90\nq-e-qe-7.5/GWW/minpack/qrsolv.f90\nq-e-qe-7.5/GWW/minpack/test.f90\nq-e-qe-7.5/GWW/pw4gww/\nq-e-qe-7.5/GWW/pw4gww/Makefile\nq-e-qe-7.5/GWW/pw4gww/allocate_wannier.f90\nq-e-qe-7.5/GWW/pw4gww/calculate_wing.f90\nq-e-qe-7.5/GWW/pw4gww/cgsolve_all_gamma.f90\nq-e-qe-7.5/GWW/pw4gww/contour_terms.f90\nq-e-qe-7.5/GWW/pw4gww/convergence.f90\nq-e-qe-7.5/GWW/pw4gww/dft_exchange.f90\nq-e-qe-7.5/GWW/pw4gww/diago_cg.f90\nq-e-qe-7.5/GWW/pw4gww/diago_cg_g.f90\nq-e-qe-7.5/GWW/pw4gww/easy_gw.f90\nq-e-qe-7.5/GWW/pw4gww/energies_xc.f90\nq-e-qe-7.5/GWW/pw4gww/exchange_custom.f90\nq-e-qe-7.5/GWW/pw4gww/fake_conduction.f90\nq-e-qe-7.5/GWW/pw4gww/fft_custom.f90\nq-e-qe-7.5/GWW/pw4gww/full.f90\nq-e-qe-7.5/GWW/pw4gww/gww_realus.f90\nq-e-qe-7.5/GWW/pw4gww/hpsi_pw4gww.f90\nq-e-qe-7.5/GWW/pw4gww/lanczos_chains.f90\nq-e-qe-7.5/GWW/pw4gww/matrix_wannier_gamma.f90\nq-e-qe-7.5/GWW/pw4gww/mp_wave_parallel.f90\nq-e-qe-7.5/GWW/pw4gww/o_1psi.f90\nq-e-qe-7.5/GWW/pw4gww/o_bands.f90\nq-e-qe-7.5/GWW/pw4gww/o_rinitcgg.f90\nq-e-qe-7.5/GWW/pw4gww/openfil_pw4gww.f90\nq-e-qe-7.5/GWW/pw4gww/operator_1_vp.f90\nq-e-qe-7.5/GWW/pw4gww/operator_debug.f90\nq-e-qe-7.5/GWW/pw4gww/optimal.f90\nq-e-qe-7.5/GWW/pw4gww/pola_lanczos.f90\nq-e-qe-7.5/GWW/pw4gww/pola_partial.f90\nq-e-qe-7.5/GWW/pw4gww/produce_wannier_gamma.f90\nq-e-qe-7.5/GWW/pw4gww/pw4gww.f90\nq-e-qe-7.5/GWW/pw4gww/rotate_wannier.f90\nq-e-qe-7.5/GWW/pw4gww/self_lanczos.f90\nq-e-qe-7.5/GWW/pw4gww/semicore.f90\nq-e-qe-7.5/GWW/pw4gww/semicore_read.f90\nq-e-qe-7.5/GWW/pw4gww/start_pw4gww.f90\nq-e-qe-7.5/GWW/pw4gww/stop_pp.f90\nq-e-qe-7.5/GWW/pw4gww/v_basis.f90\nq-e-qe-7.5/GWW/pw4gww/wannier.f90\nq-e-qe-7.5/GWW/pw4gww/wannier_bse.f90\nq-e-qe-7.5/GWW/pw4gww/wannier_uterms.f90\nq-e-qe-7.5/GWW/pw4gww/wfc_real.f90\nq-e-qe-7.5/GWW/pw4gww/write_vpot_matrix.f90\nq-e-qe-7.5/GWW/pw4gww/write_wannier_matrix.f90\nq-e-qe-7.5/GWW/simple/\nq-e-qe-7.5/GWW/simple/Makefile\nq-e-qe-7.5/GWW/simple/commutator.f90\nq-e-qe-7.5/GWW/simple/epe.f90\nq-e-qe-7.5/GWW/simple/gk_sort_limit.f90\nq-e-qe-7.5/GWW/simple/input_simple.f90\nq-e-qe-7.5/GWW/simple/khamiltonian.f90\nq-e-qe-7.5/GWW/simple/openfile_simple.f90\nq-e-qe-7.5/GWW/simple/product_basis.f90\nq-e-qe-7.5/GWW/simple/read_export.f90\nq-e-qe-7.5/GWW/simple/simple.f90\nq-e-qe-7.5/GWW/simple/stop_pp.f90\nq-e-qe-7.5/GWW/simple/v_product.f90\nq-e-qe-7.5/GWW/simple/wfc_basis.f90\nq-e-qe-7.5/GWW/simple_bse/\nq-e-qe-7.5/GWW/simple_bse/Makefile\nq-e-qe-7.5/GWW/simple_bse/build_eemat.f90\nq-e-qe-7.5/GWW/simple_bse/derived_object.f90\nq-e-qe-7.5/GWW/simple_bse/diago_exc_cg.f90\nq-e-qe-7.5/GWW/simple_bse/diago_exc_sd.f90\nq-e-qe-7.5/GWW/simple_bse/hamiltonian.f90\nq-e-qe-7.5/GWW/simple_bse/input_simple_exc.f90\nq-e-qe-7.5/GWW/simple_bse/lanczos.f90\nq-e-qe-7.5/GWW/simple_bse/simple_bse.f90\nq-e-qe-7.5/GWW/simple_bse/simple_eigen.f90\nq-e-qe-7.5/GWW/simple_bse/simple_object.f90\nq-e-qe-7.5/GWW/simple_bse/spectrum.f90\nq-e-qe-7.5/GWW/simple_bse/start_end.f90\nq-e-qe-7.5/GWW/simple_ip/\nq-e-qe-7.5/GWW/simple_ip/Makefile\nq-e-qe-7.5/GWW/simple_ip/diagonalization.f90\nq-e-qe-7.5/GWW/simple_ip/dielectric.f90\nq-e-qe-7.5/GWW/simple_ip/input_simple_ip.f90\nq-e-qe-7.5/GWW/simple_ip/interpolation.f90\nq-e-qe-7.5/GWW/simple_ip/simple_ip.f90\nq-e-qe-7.5/GWW/simple_ip/simple_ip_objects.f90\nq-e-qe-7.5/GWW/simple_ip/start_end.f90\nq-e-qe-7.5/GWW/simple_ip/tetra_mod1.f90\nq-e-qe-7.5/GWW/simple_ip/tetra_mod2.f90\nq-e-qe-7.5/GWW/util/\nq-e-qe-7.5/GWW/util/Makefile\nq-e-qe-7.5/GWW/util/abcoeff_to_eps.f90\nq-e-qe-7.5/GWW/util/graph.f90\nq-e-qe-7.5/GWW/util/memory_pw4gww.f90\nq-e-qe-7.5/HP/\nq-e-qe-7.5/HP/CMakeLists.txt\nq-e-qe-7.5/HP/Doc/\nq-e-qe-7.5/HP/Doc/INPUT_HP.def\nq-e-qe-7.5/HP/Doc/INPUT_HP.html\nq-e-qe-7.5/HP/Doc/INPUT_HP.txt\nq-e-qe-7.5/HP/Doc/Makefile\nq-e-qe-7.5/HP/Doc/README\nq-e-qe-7.5/HP/Makefile\nq-e-qe-7.5/HP/examples/\nq-e-qe-7.5/HP/examples/README\nq-e-qe-7.5/HP/examples/clean_all\nq-e-qe-7.5/HP/examples/example01/\nq-e-qe-7.5/HP/examples/example01/reference/\nq-e-qe-7.5/HP/examples/example01/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example01/reference/LiCoO2.hp.in\nq-e-qe-7.5/HP/examples/example01/reference/LiCoO2.scf.in\nq-e-qe-7.5/HP/examples/example01/run_example\nq-e-qe-7.5/HP/examples/example02/\nq-e-qe-7.5/HP/examples/example02/README\nq-e-qe-7.5/HP/examples/example02/reference/\nq-e-qe-7.5/HP/examples/example02/reference/NiO.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example02/reference/NiO.hp.in\nq-e-qe-7.5/HP/examples/example02/reference/NiO.scf1.in\nq-e-qe-7.5/HP/examples/example02/reference/NiO.scf2.in\nq-e-qe-7.5/HP/examples/example02/run_example1\nq-e-qe-7.5/HP/examples/example02/run_example2\nq-e-qe-7.5/HP/examples/example03/\nq-e-qe-7.5/HP/examples/example03/reference/\nq-e-qe-7.5/HP/examples/example03/reference/CrI3.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example03/reference/CrI3.hp.in\nq-e-qe-7.5/HP/examples/example03/reference/CrI3.scf1.in\nq-e-qe-7.5/HP/examples/example03/reference/CrI3.scf2.in\nq-e-qe-7.5/HP/examples/example03/run_example\nq-e-qe-7.5/HP/examples/example04/\nq-e-qe-7.5/HP/examples/example04/reference/\nq-e-qe-7.5/HP/examples/example04/reference/Ni.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example04/reference/Ni.hp.in\nq-e-qe-7.5/HP/examples/example04/reference/Ni.scf.in\nq-e-qe-7.5/HP/examples/example04/run_example\nq-e-qe-7.5/HP/examples/example05/\nq-e-qe-7.5/HP/examples/example05/reference/\nq-e-qe-7.5/HP/examples/example05/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example05/reference/LiCoO2.hp.in\nq-e-qe-7.5/HP/examples/example05/reference/LiCoO2.scf.in\nq-e-qe-7.5/HP/examples/example05/run_example\nq-e-qe-7.5/HP/examples/example06/\nq-e-qe-7.5/HP/examples/example06/reference/\nq-e-qe-7.5/HP/examples/example06/reference/Ni2MnGa.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example06/reference/Ni2MnGa.hp.Mn.in\nq-e-qe-7.5/HP/examples/example06/reference/Ni2MnGa.hp.Ni.in\nq-e-qe-7.5/HP/examples/example06/reference/Ni2MnGa.hp.final.in\nq-e-qe-7.5/HP/examples/example06/reference/Ni2MnGa.scf.in\nq-e-qe-7.5/HP/examples/example06/run_example\nq-e-qe-7.5/HP/examples/example07/\nq-e-qe-7.5/HP/examples/example07/reference/\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step1.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step2.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step3.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step1.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step2.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step3.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.hp.final.in\nq-e-qe-7.5/HP/examples/example07/reference/Ni2MnGa.scf.in\nq-e-qe-7.5/HP/examples/example07/run_example\nq-e-qe-7.5/HP/examples/example08/\nq-e-qe-7.5/HP/examples/example08/reference/\nq-e-qe-7.5/HP/examples/example08/reference/NiO2.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example08/reference/NiO2.hp.in\nq-e-qe-7.5/HP/examples/example08/reference/NiO2.scf.in\nq-e-qe-7.5/HP/examples/example08/run_example\nq-e-qe-7.5/HP/examples/example09/\nq-e-qe-7.5/HP/examples/example09/reference/\nq-e-qe-7.5/HP/examples/example09/reference/CoO2.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example09/reference/CoO2.hp.in\nq-e-qe-7.5/HP/examples/example09/reference/CoO2.scf.in\nq-e-qe-7.5/HP/examples/example09/run_example\nq-e-qe-7.5/HP/examples/example10/\nq-e-qe-7.5/HP/examples/example10/reference/\nq-e-qe-7.5/HP/examples/example10/reference/HUBBARD.dat\nq-e-qe-7.5/HP/examples/example10/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.5/HP/examples/example10/reference/LiCoO2.hp.in\nq-e-qe-7.5/HP/examples/example10/reference/LiCoO2.scf.in\nq-e-qe-7.5/HP/examples/example10/run_example\nq-e-qe-7.5/HP/examples/run_all_examples\nq-e-qe-7.5/HP/src/\nq-e-qe-7.5/HP/src/Makefile\nq-e-qe-7.5/HP/src/hp_R_points.f90\nq-e-qe-7.5/HP/src/hp_allocate_q.f90\nq-e-qe-7.5/HP/src/hp_bcast_input.f90\nq-e-qe-7.5/HP/src/hp_calc_chi.f90\nq-e-qe-7.5/HP/src/hp_check_pert.f90\nq-e-qe-7.5/HP/src/hp_check_type.f90\nq-e-qe-7.5/HP/src/hp_clean_q.f90\nq-e-qe-7.5/HP/src/hp_close_q.f90\nq-e-qe-7.5/HP/src/hp_dealloc_1.f90\nq-e-qe-7.5/HP/src/hp_dealloc_2.f90\nq-e-qe-7.5/HP/src/hp_dealloc_q.f90\nq-e-qe-7.5/HP/src/hp_dnsq.f90\nq-e-qe-7.5/HP/src/hp_dnstot_sum_q.f90\nq-e-qe-7.5/HP/src/hp_dvpsi_pert.f90\nq-e-qe-7.5/HP/src/hp_find_inequiv_sites.f90\nq-e-qe-7.5/HP/src/hp_generate_grids.f90\nq-e-qe-7.5/HP/src/hp_init.f90\nq-e-qe-7.5/HP/src/hp_init_q.f90\nq-e-qe-7.5/HP/src/hp_load_q.f90\nq-e-qe-7.5/HP/src/hp_main.f90\nq-e-qe-7.5/HP/src/hp_ns_trace.f90\nq-e-qe-7.5/HP/src/hp_openfil_q.f90\nq-e-qe-7.5/HP/src/hp_postproc.f90\nq-e-qe-7.5/HP/src/hp_prepare_q.f90\nq-e-qe-7.5/HP/src/hp_print_clock.f90\nq-e-qe-7.5/HP/src/hp_psym_dmag.f90\nq-e-qe-7.5/HP/src/hp_psymdvscf.f90\nq-e-qe-7.5/HP/src/hp_q_points.f90\nq-e-qe-7.5/HP/src/hp_read_chi.f90\nq-e-qe-7.5/HP/src/hp_read_dnsq.f90\nq-e-qe-7.5/HP/src/hp_readin.f90\nq-e-qe-7.5/HP/src/hp_rotate_dnsq.f90\nq-e-qe-7.5/HP/src/hp_run_nscf.f90\nq-e-qe-7.5/HP/src/hp_setup_q.f90\nq-e-qe-7.5/HP/src/hp_solve_linear_system.f90\nq-e-qe-7.5/HP/src/hp_stop_smoothly.f90\nq-e-qe-7.5/HP/src/hp_summary.f90\nq-e-qe-7.5/HP/src/hp_summary_q.f90\nq-e-qe-7.5/HP/src/hp_sym_dmag.f90\nq-e-qe-7.5/HP/src/hp_symdnsq.f90\nq-e-qe-7.5/HP/src/hp_symdvscf.f90\nq-e-qe-7.5/HP/src/hp_write_chi.f90\nq-e-qe-7.5/HP/src/hp_write_chi_full.f90\nq-e-qe-7.5/HP/src/hp_write_dnsq.f90\nq-e-qe-7.5/HP/src/hpcom.f90\nq-e-qe-7.5/KCW/\nq-e-qe-7.5/KCW/CMakeLists.txt\nq-e-qe-7.5/KCW/Doc/\nq-e-qe-7.5/KCW/Doc/INPUT_kcw.def\nq-e-qe-7.5/KCW/Doc/INPUT_kcw.html\nq-e-qe-7.5/KCW/Doc/INPUT_kcw.txt\nq-e-qe-7.5/KCW/Doc/Makefile\nq-e-qe-7.5/KCW/Doc/input_xx.xsl\nq-e-qe-7.5/KCW/Makefile\nq-e-qe-7.5/KCW/PP/\nq-e-qe-7.5/KCW/PP/CMakeLists.txt\nq-e-qe-7.5/KCW/PP/Makefile\nq-e-qe-7.5/KCW/PP/bcast_kcw_pp_input.f90\nq-e-qe-7.5/KCW/PP/compute_self_hartree.f90\nq-e-qe-7.5/KCW/PP/input_pp_summary.f90\nq-e-qe-7.5/KCW/PP/interp_r_to_k.f90\nq-e-qe-7.5/KCW/PP/kcw_bands.f90\nq-e-qe-7.5/KCW/PP/kcw_pp_readin.f90\nq-e-qe-7.5/KCW/PP/makedeps.sh\nq-e-qe-7.5/KCW/PP/merge_Umat.f90\nq-e-qe-7.5/KCW/PP/merge_wann.f90\nq-e-qe-7.5/KCW/PP/read_hr.f90\nq-e-qe-7.5/KCW/PP/sh_setup.f90\nq-e-qe-7.5/KCW/PP/ups.f90\nq-e-qe-7.5/KCW/diff_7.2-7.1.txt\nq-e-qe-7.5/KCW/diff_wrt_v7.1.txt\nq-e-qe-7.5/KCW/examples/\nq-e-qe-7.5/KCW/examples/.gitignore\nq-e-qe-7.5/KCW/examples/example01/\nq-e-qe-7.5/KCW/examples/example01/README\nq-e-qe-7.5/KCW/examples/example01/compare.sh\nq-e-qe-7.5/KCW/examples/example01/reference/\nq-e-qe-7.5/KCW/examples/example01/reference/Si.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example01/reference/Si.kcw-screen.out\nq-e-qe-7.5/KCW/examples/example01/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example01/reference/Si.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example01/reference/Si.scf.out\nq-e-qe-7.5/KCW/examples/example01/reference/wann_emp/\nq-e-qe-7.5/KCW/examples/example01/reference/wann_emp/Si_emp.wout\nq-e-qe-7.5/KCW/examples/example01/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.5/KCW/examples/example01/reference/wann_occ/\nq-e-qe-7.5/KCW/examples/example01/reference/wann_occ/Si.wout\nq-e-qe-7.5/KCW/examples/example01/reference/wann_occ/Si_band.dat\nq-e-qe-7.5/KCW/examples/example01/run_example\nq-e-qe-7.5/KCW/examples/example01_sym/\nq-e-qe-7.5/KCW/examples/example01_sym/README\nq-e-qe-7.5/KCW/examples/example01_sym/compare.sh\nq-e-qe-7.5/KCW/examples/example01_sym/compare_nosym.sh\nq-e-qe-7.5/KCW/examples/example01_sym/reference/\nq-e-qe-7.5/KCW/examples/example01_sym/reference/Si.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example01_sym/reference/Si.kcw-screen.out\nq-e-qe-7.5/KCW/examples/example01_sym/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example01_sym/reference/Si.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example01_sym/reference/Si.scf.out\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_emp/\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_emp/Si_emp.wout\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_occ/\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_occ/Si.wout\nq-e-qe-7.5/KCW/examples/example01_sym/reference/wann_occ/Si_band.dat\nq-e-qe-7.5/KCW/examples/example01_sym/run_example\nq-e-qe-7.5/KCW/examples/example02/\nq-e-qe-7.5/KCW/examples/example02/README\nq-e-qe-7.5/KCW/examples/example02/compare.sh\nq-e-qe-7.5/KCW/examples/example02/reference/\nq-e-qe-7.5/KCW/examples/example02/reference/h2o.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example02/reference/h2o.kcw-screen.out\nq-e-qe-7.5/KCW/examples/example02/reference/h2o.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example02/reference/h2o.scf.out\nq-e-qe-7.5/KCW/examples/example02/run_example\nq-e-qe-7.5/KCW/examples/example03/\nq-e-qe-7.5/KCW/examples/example03/compare.sh\nq-e-qe-7.5/KCW/examples/example03/reference/\nq-e-qe-7.5/KCW/examples/example03/reference/Si.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example03/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example03/reference/Si.kcwpp_bands.dat\nq-e-qe-7.5/KCW/examples/example03/reference/Si.kcwpp_interp.out\nq-e-qe-7.5/KCW/examples/example03/reference/Si.kcwpp_sh.out\nq-e-qe-7.5/KCW/examples/example03/reference/Si.scf.out\nq-e-qe-7.5/KCW/examples/example03/reference/wann_emp/\nq-e-qe-7.5/KCW/examples/example03/reference/wann_emp/Si_emp.wout\nq-e-qe-7.5/KCW/examples/example03/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.5/KCW/examples/example03/reference/wann_occ/\nq-e-qe-7.5/KCW/examples/example03/reference/wann_occ/Si.wout\nq-e-qe-7.5/KCW/examples/example03/reference/wann_occ/Si_band.dat\nq-e-qe-7.5/KCW/examples/example03/run_example\nq-e-qe-7.5/KCW/examples/example04/\nq-e-qe-7.5/KCW/examples/example04/README\nq-e-qe-7.5/KCW/examples/example04/compare.sh\nq-e-qe-7.5/KCW/examples/example04/reference/\nq-e-qe-7.5/KCW/examples/example04/reference/GaAs.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example04/reference/GaAs.nscf.out\nq-e-qe-7.5/KCW/examples/example04/reference/GaAs.scf.out\nq-e-qe-7.5/KCW/examples/example04/reference/kc.kho\nq-e-qe-7.5/KCW/examples/example04/reference/kc.w2ko\nq-e-qe-7.5/KCW/examples/example04/reference/merge_U.out\nq-e-qe-7.5/KCW/examples/example04/reference/merge_centres.out\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block1/\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block1/pw2wann.out\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block1/wann.wout\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block1/wann_band.dat\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block1/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block2/\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block2/pw2wann.out\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block2/wann.wout\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block2/wann_band.dat\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block2/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block3/\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block3/pw2wann.out\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block3/wann.wout\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block3/wann_band.dat\nq-e-qe-7.5/KCW/examples/example04/reference/wann_block3/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference/wann_u.mat\nq-e-qe-7.5/KCW/examples/example04/reference_1block/\nq-e-qe-7.5/KCW/examples/example04/reference_1block/GaAs.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example04/reference_1block/GaAs.nscf.out\nq-e-qe-7.5/KCW/examples/example04/reference_1block/GaAs.scf.out\nq-e-qe-7.5/KCW/examples/example04/reference_1block/kc.kho\nq-e-qe-7.5/KCW/examples/example04/reference_1block/kc.w2ko\nq-e-qe-7.5/KCW/examples/example04/reference_1block/merge_U.out\nq-e-qe-7.5/KCW/examples/example04/reference_1block/merge_centres.out\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_block1/\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_block1/pw2wann.out\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_block1/wann.wout\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_block1/wann_band.dat\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_block1/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example04/reference_1block/wann_u.mat\nq-e-qe-7.5/KCW/examples/example04/run_example\nq-e-qe-7.5/KCW/examples/example04/run_example_1block\nq-e-qe-7.5/KCW/examples/example05.1/\nq-e-qe-7.5/KCW/examples/example05.1/README.md\nq-e-qe-7.5/KCW/examples/example05.1/clean_all.sh\nq-e-qe-7.5/KCW/examples/example05.1/compare.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin1/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin2/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/CRASH\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_MAG/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_SOC_noMAG/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/CRASH\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_MAG/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/bands.in\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/bands.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/.kc.w2ko.swp\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/README.md\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/kc.w2ki\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/nscf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/wann.win\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/plot_bands.gnu\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/scf.pwi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/kc.ksi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/kc.khi\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/clean.sh\nq-e-qe-7.5/KCW/examples/example05.1/nspin4_noSOC_noMAG/run.sh\nq-e-qe-7.5/KCW/examples/example05.1/pseudo/\nq-e-qe-7.5/KCW/examples/example05.1/pseudo/Si.upf\nq-e-qe-7.5/KCW/examples/example05.1/pseudo/Si_r.upf\nq-e-qe-7.5/KCW/examples/example05.1/run_all.sh\nq-e-qe-7.5/KCW/examples/example05/\nq-e-qe-7.5/KCW/examples/example05/compare.sh\nq-e-qe-7.5/KCW/examples/example05/reference/\nq-e-qe-7.5/KCW/examples/example05/reference/Si.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example05/reference/Si.kcw-screen.out\nq-e-qe-7.5/KCW/examples/example05/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example05/reference/Si.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example05/reference/Si.scf.out\nq-e-qe-7.5/KCW/examples/example05/reference/wann_emp/\nq-e-qe-7.5/KCW/examples/example05/reference/wann_emp/Si_emp.wout\nq-e-qe-7.5/KCW/examples/example05/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.5/KCW/examples/example05/reference/wann_occ/\nq-e-qe-7.5/KCW/examples/example05/reference/wann_occ/Si.wout\nq-e-qe-7.5/KCW/examples/example05/reference/wann_occ/Si_band.dat\nq-e-qe-7.5/KCW/examples/example05/run_example\nq-e-qe-7.5/KCW/examples/example06/\nq-e-qe-7.5/KCW/examples/example06/README\nq-e-qe-7.5/KCW/examples/example06/compare.sh\nq-e-qe-7.5/KCW/examples/example06/reference/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/file_alpharef.txt\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/merge_U.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/merge_U_emp.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/merge_centre.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/merge_centre_emp.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_emp_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_emp_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_DOWN/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/cri3.kcw-ham.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/cri3.kcw-wann2kcw.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/cri3.kcw_bands.dat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/file_alpharef.txt\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/merge_U.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/merge_U_emp.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/merge_centre.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/merge_centre_emp.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block1/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block1/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block2/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block2/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block3/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block3/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block4/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block4/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block5/\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block5/pw2wann.out\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann.wout\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_emp_centres.xyz\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_emp_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/SPIN_UP/wann_u.mat\nq-e-qe-7.5/KCW/examples/example06/reference/cri3.scf.out\nq-e-qe-7.5/KCW/examples/example06/run_example\nq-e-qe-7.5/KCW/examples/run_all.sh\nq-e-qe-7.5/KCW/examples/test_io/\nq-e-qe-7.5/KCW/examples/test_io/README\nq-e-qe-7.5/KCW/examples/test_io/example01/\nq-e-qe-7.5/KCW/examples/test_io/example01/compare.sh\nq-e-qe-7.5/KCW/examples/test_io/example01/run_example\nq-e-qe-7.5/KCW/examples/test_io/example02/\nq-e-qe-7.5/KCW/examples/test_io/example02/compare.sh\nq-e-qe-7.5/KCW/examples/test_io/example02/run_example\nq-e-qe-7.5/KCW/examples/test_io/example03/\nq-e-qe-7.5/KCW/examples/test_io/example03/compare.sh\nq-e-qe-7.5/KCW/examples/test_io/example03/run_example\nq-e-qe-7.5/KCW/examples/test_io/run_all.sh\nq-e-qe-7.5/KCW/kcw.md\nq-e-qe-7.5/KCW/src/\nq-e-qe-7.5/KCW/src/CMakeLists.txt\nq-e-qe-7.5/KCW/src/Makefile\nq-e-qe-7.5/KCW/src/alpha_corr.f90\nq-e-qe-7.5/KCW/src/apply_u_matrix.f90\nq-e-qe-7.5/KCW/src/bare_pot.f90\nq-e-qe-7.5/KCW/src/bcast_kcw_input.f90\nq-e-qe-7.5/KCW/src/bcast_wfc.f90\nq-e-qe-7.5/KCW/src/calculate_phase.f90\nq-e-qe-7.5/KCW/src/clean_pw_kcw.f90\nq-e-qe-7.5/KCW/src/close_kcw.f90\nq-e-qe-7.5/KCW/src/compute_map_ikq.f90\nq-e-qe-7.5/KCW/src/compute_map_ikq_single.f90\nq-e-qe-7.5/KCW/src/convert_kpts_names.f90\nq-e-qe-7.5/KCW/src/coulomb.f90\nq-e-qe-7.5/KCW/src/find_IBZ_q.f90\nq-e-qe-7.5/KCW/src/full_ham.f90\nq-e-qe-7.5/KCW/src/group_orbitals.f90\nq-e-qe-7.5/KCW/src/ham_R0_2nd.f90\nq-e-qe-7.5/KCW/src/hamilt.f90\nq-e-qe-7.5/KCW/src/input_summary.f90\nq-e-qe-7.5/KCW/src/interpolation.f90\nq-e-qe-7.5/KCW/src/kcw.f90\nq-e-qe-7.5/KCW/src/kcw_R_points.f90\nq-e-qe-7.5/KCW/src/kcw_allocate_q.f90\nq-e-qe-7.5/KCW/src/kcw_comm.f90\nq-e-qe-7.5/KCW/src/kcw_deallocate_q.f90\nq-e-qe-7.5/KCW/src/kcw_deallocate_symmetry_arrays.f90\nq-e-qe-7.5/KCW/src/kcw_ham.f90\nq-e-qe-7.5/KCW/src/kcw_init_q.f90\nq-e-qe-7.5/KCW/src/kcw_initialize_ph.f90\nq-e-qe-7.5/KCW/src/kcw_io_new.f90\nq-e-qe-7.5/KCW/src/kcw_kpoint_grid.f90\nq-e-qe-7.5/KCW/src/kcw_openfilq.f90\nq-e-qe-7.5/KCW/src/kcw_prepare_q.f90\nq-e-qe-7.5/KCW/src/kcw_q_setup.f90\nq-e-qe-7.5/KCW/src/kcw_read_sym.f90\nq-e-qe-7.5/KCW/src/kcw_readin.f90\nq-e-qe-7.5/KCW/src/kcw_run_nscf.f90\nq-e-qe-7.5/KCW/src/kcw_screen.f90\nq-e-qe-7.5/KCW/src/kcw_setup.f90\nq-e-qe-7.5/KCW/src/kcw_setup_ham.f90\nq-e-qe-7.5/KCW/src/kcw_setup_screen.f90\nq-e-qe-7.5/KCW/src/kcw_write_sym.f90\nq-e-qe-7.5/KCW/src/koopmans_ham.f90\nq-e-qe-7.5/KCW/src/ks_hamiltonian.f90\nq-e-qe-7.5/KCW/src/makedeps.sh\nq-e-qe-7.5/KCW/src/print_clock_kcw.f90\nq-e-qe-7.5/KCW/src/read_alpha.f90\nq-e-qe-7.5/KCW/src/read_qlist_ibz.f90\nq-e-qe-7.5/KCW/src/read_wannier.f90\nq-e-qe-7.5/KCW/src/rho_of_q.f90\nq-e-qe-7.5/KCW/src/rotate_ks.f90\nq-e-qe-7.5/KCW/src/screen_coeff.f90\nq-e-qe-7.5/KCW/src/self_hartree.f90\nq-e-qe-7.5/KCW/src/setup_coulomb.f90\nq-e-qe-7.5/KCW/src/setup_coulomb_exx.f90\nq-e-qe-7.5/KCW/src/solve_linter_koop_mod.f90\nq-e-qe-7.5/KCW/src/structure_factor.f90\nq-e-qe-7.5/KCW/src/wann2kcw.f90\nq-e-qe-7.5/KCW/src/write_hr_to_file.f90\nq-e-qe-7.5/KCW/src/write_qlist_ibz.f90\nq-e-qe-7.5/KS_Solvers/\nq-e-qe-7.5/KS_Solvers/CG/\nq-e-qe-7.5/KS_Solvers/CG/Makefile\nq-e-qe-7.5/KS_Solvers/CG/ccgdiagg.f90\nq-e-qe-7.5/KS_Solvers/CG/rcgdiagg.f90\nq-e-qe-7.5/KS_Solvers/CMakeLists.txt\nq-e-qe-7.5/KS_Solvers/DENSE/\nq-e-qe-7.5/KS_Solvers/DENSE/Makefile\nq-e-qe-7.5/KS_Solvers/DENSE/gram_schmidt_gamma.f90\nq-e-qe-7.5/KS_Solvers/DENSE/gram_schmidt_k.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_HSpsi_gamma.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_HSpsi_k.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_driver.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_wfc_gamma.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_wfc_k.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_xpsi_gamma.f90\nq-e-qe-7.5/KS_Solvers/DENSE/rotate_xpsi_k.f90\nq-e-qe-7.5/KS_Solvers/Davidson/\nq-e-qe-7.5/KS_Solvers/Davidson/Makefile\nq-e-qe-7.5/KS_Solvers/Davidson/cegterg.f90\nq-e-qe-7.5/KS_Solvers/Davidson/cegterg_gpu.f90\nq-e-qe-7.5/KS_Solvers/Davidson/regterg.f90\nq-e-qe-7.5/KS_Solvers/Davidson/regterg_gpu.f90\nq-e-qe-7.5/KS_Solvers/Davidson_RCI/\nq-e-qe-7.5/KS_Solvers/Davidson_RCI/Makefile\nq-e-qe-7.5/KS_Solvers/Davidson_RCI/david_rci.f90\nq-e-qe-7.5/KS_Solvers/Makefile\nq-e-qe-7.5/KS_Solvers/PPCG_legacy/\nq-e-qe-7.5/KS_Solvers/PPCG_legacy/ppcg_gamma.f90\nq-e-qe-7.5/KS_Solvers/PPCG_legacy/ppcg_gamma_gpu.f90\nq-e-qe-7.5/KS_Solvers/PPCG_legacy/ppcg_k.f90\nq-e-qe-7.5/KS_Solvers/PPCG_legacy/ppcg_k_gpu.f90\nq-e-qe-7.5/KS_Solvers/ParO/\nq-e-qe-7.5/KS_Solvers/ParO/Makefile\nq-e-qe-7.5/KS_Solvers/ParO/bpcg_gamma.f90\nq-e-qe-7.5/KS_Solvers/ParO/bpcg_k.f90\nq-e-qe-7.5/KS_Solvers/ParO/paro_gamma.f90\nq-e-qe-7.5/KS_Solvers/ParO/paro_gamma_new.f90\nq-e-qe-7.5/KS_Solvers/ParO/paro_k.f90\nq-e-qe-7.5/KS_Solvers/ParO/paro_k_new.f90\nq-e-qe-7.5/KS_Solvers/ParO/pcg_gamma.f90\nq-e-qe-7.5/KS_Solvers/ParO/pcg_k.f90\nq-e-qe-7.5/KS_Solvers/RMM/\nq-e-qe-7.5/KS_Solvers/RMM/Makefile\nq-e-qe-7.5/KS_Solvers/RMM/crmmdiagg.f90\nq-e-qe-7.5/KS_Solvers/RMM/rrmmdiagg.f90\nq-e-qe-7.5/KS_Solvers/ks_solver_interfaces.h\nq-e-qe-7.5/LAXlib/\nq-e-qe-7.5/LAXlib/CMakeLists.txt\nq-e-qe-7.5/LAXlib/Makefile\nq-e-qe-7.5/LAXlib/README.TEST\nq-e-qe-7.5/LAXlib/cdiaghg.f90\nq-e-qe-7.5/LAXlib/distools.f90\nq-e-qe-7.5/LAXlib/dspev_drv.f90\nq-e-qe-7.5/LAXlib/la_error.f90\nq-e-qe-7.5/LAXlib/la_helper.f90\nq-e-qe-7.5/LAXlib/la_module.f90\nq-e-qe-7.5/LAXlib/la_param.f90\nq-e-qe-7.5/LAXlib/la_types.f90\nq-e-qe-7.5/LAXlib/laxlib.h\nq-e-qe-7.5/LAXlib/laxlib_hi.h\nq-e-qe-7.5/LAXlib/laxlib_kinds.h\nq-e-qe-7.5/LAXlib/laxlib_low.h\nq-e-qe-7.5/LAXlib/laxlib_mid.h\nq-e-qe-7.5/LAXlib/laxlib_param.h\nq-e-qe-7.5/LAXlib/mp_diag.f90\nq-e-qe-7.5/LAXlib/ptoolkit.f90\nq-e-qe-7.5/LAXlib/rdiaghg.f90\nq-e-qe-7.5/LAXlib/test.f90\nq-e-qe-7.5/LAXlib/tests/\nq-e-qe-7.5/LAXlib/tests/.gitattributes\nq-e-qe-7.5/LAXlib/tests/CMakeLists.txt\nq-e-qe-7.5/LAXlib/tests/Makefile\nq-e-qe-7.5/LAXlib/tests/README.md\nq-e-qe-7.5/LAXlib/tests/ZnOG1.bin\nq-e-qe-7.5/LAXlib/tests/ZnOG2.bin\nq-e-qe-7.5/LAXlib/tests/ZnOK1.bin\nq-e-qe-7.5/LAXlib/tests/ZnOK2.bin\nq-e-qe-7.5/LAXlib/tests/mp_world.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_1.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_2.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_3.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_4.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_gpu_1.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_gpu_2.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_gpu_3.f90\nq-e-qe-7.5/LAXlib/tests/test_diaghg_gpu_4.f90\nq-e-qe-7.5/LAXlib/tests/test_helpers.f90\nq-e-qe-7.5/LAXlib/tests/test_io.f90\nq-e-qe-7.5/LAXlib/tests/test_lapack_zdotc.f90\nq-e-qe-7.5/LAXlib/tests/tester.f90\nq-e-qe-7.5/LAXlib/tests/utils.f90\nq-e-qe-7.5/LAXlib/transto.f90\nq-e-qe-7.5/LAXlib/zhpev_drv.f90\nq-e-qe-7.5/LR_Modules/\nq-e-qe-7.5/LR_Modules/CMakeLists.txt\nq-e-qe-7.5/LR_Modules/Coul_cut_2D_ph.f90\nq-e-qe-7.5/LR_Modules/Makefile\nq-e-qe-7.5/LR_Modules/adddvepsi_us.f90\nq-e-qe-7.5/LR_Modules/adddvhubscf.f90\nq-e-qe-7.5/LR_Modules/adddvscf.f90\nq-e-qe-7.5/LR_Modules/addusdbec.f90\nq-e-qe-7.5/LR_Modules/addusdbec_nc.f90\nq-e-qe-7.5/LR_Modules/addusddenseq.f90\nq-e-qe-7.5/LR_Modules/addusldos.f90\nq-e-qe-7.5/LR_Modules/apply_dpot.f90\nq-e-qe-7.5/LR_Modules/apply_dpot_mod.f90\nq-e-qe-7.5/LR_Modules/apply_trev.f90\nq-e-qe-7.5/LR_Modules/c_bands_ph.f90\nq-e-qe-7.5/LR_Modules/ccg_psi.f90\nq-e-qe-7.5/LR_Modules/ccgsolve_all.f90\nq-e-qe-7.5/LR_Modules/cft_wave.f90\nq-e-qe-7.5/LR_Modules/cg_psi.f90\nq-e-qe-7.5/LR_Modules/cgsolve_all.f90\nq-e-qe-7.5/LR_Modules/ch_psi_all.f90\nq-e-qe-7.5/LR_Modules/ch_psi_all_complex.f90\nq-e-qe-7.5/LR_Modules/check_q_points_sym.f90\nq-e-qe-7.5/LR_Modules/compute_vsgga.f90\nq-e-qe-7.5/LR_Modules/dfpt_tetra_mod.f90\nq-e-qe-7.5/LR_Modules/dgradcorr.f90\nq-e-qe-7.5/LR_Modules/dnonloccorr.f90\nq-e-qe-7.5/LR_Modules/dv_of_drho.f90\nq-e-qe-7.5/LR_Modules/dv_rVV10.f90\nq-e-qe-7.5/LR_Modules/dv_vdW_DF.f90\nq-e-qe-7.5/LR_Modules/dynmat_sub.f90\nq-e-qe-7.5/LR_Modules/efermi_shift.f90\nq-e-qe-7.5/LR_Modules/h_prec.f90\nq-e-qe-7.5/LR_Modules/incdrhoscf.f90\nq-e-qe-7.5/LR_Modules/incdrhoscf_nc.f90\nq-e-qe-7.5/LR_Modules/lanczos_nonhermitian.f90\nq-e-qe-7.5/LR_Modules/lanczos_nonhermitian_c.f90\nq-e-qe-7.5/LR_Modules/lanczos_pseudohermitian.f90\nq-e-qe-7.5/LR_Modules/lanczos_pseudohermitian_c.f90\nq-e-qe-7.5/LR_Modules/localdos.f90\nq-e-qe-7.5/LR_Modules/lr_addusddens.f90\nq-e-qe-7.5/LR_Modules/lr_dot.f90\nq-e-qe-7.5/LR_Modules/lr_dot_magnons.f90\nq-e-qe-7.5/LR_Modules/lr_nc_mag.f90\nq-e-qe-7.5/LR_Modules/lr_orthoUwfc.f90\nq-e-qe-7.5/LR_Modules/lr_sm1_psi.f90\nq-e-qe-7.5/LR_Modules/lr_sym_mod.f90\nq-e-qe-7.5/LR_Modules/lr_two_chem.f90\nq-e-qe-7.5/LR_Modules/lrcom.f90\nq-e-qe-7.5/LR_Modules/mix_pot.f90\nq-e-qe-7.5/LR_Modules/mode_group.f90\nq-e-qe-7.5/LR_Modules/newdq.f90\nq-e-qe-7.5/LR_Modules/non_scf_ph.f90\nq-e-qe-7.5/LR_Modules/orthogonalize.f90\nq-e-qe-7.5/LR_Modules/psymdvscf.f90\nq-e-qe-7.5/LR_Modules/qdipol_cryst.f90\nq-e-qe-7.5/LR_Modules/response_kernels.f90\nq-e-qe-7.5/LR_Modules/set_dbecsum_nc.f90\nq-e-qe-7.5/LR_Modules/set_int3_nc.f90\nq-e-qe-7.5/LR_Modules/set_intq_nc.f90\nq-e-qe-7.5/LR_Modules/set_kplusq_nc.f90\nq-e-qe-7.5/LR_Modules/set_small_group_of_q.f90\nq-e-qe-7.5/LR_Modules/setqmod.f90\nq-e-qe-7.5/LR_Modules/setup_alpha_pv.f90\nq-e-qe-7.5/LR_Modules/setup_dgc.f90\nq-e-qe-7.5/LR_Modules/setup_dmuxc.f90\nq-e-qe-7.5/LR_Modules/setup_nbnd_occ.f90\nq-e-qe-7.5/LR_Modules/setup_nscf.f90\nq-e-qe-7.5/LR_Modules/sgam_lr.f90\nq-e-qe-7.5/LR_Modules/smallgq.f90\nq-e-qe-7.5/LR_Modules/star_q.f90\nq-e-qe-7.5/LR_Modules/sym_def.f90\nq-e-qe-7.5/LR_Modules/sym_dmag.f90\nq-e-qe-7.5/LR_Modules/symdvscf.f90\nq-e-qe-7.5/License\nq-e-qe-7.5/Makefile\nq-e-qe-7.5/Modules/\nq-e-qe-7.5/Modules/CMakeLists.txt\nq-e-qe-7.5/Modules/Makefile\nq-e-qe-7.5/Modules/additional_kpoints.f90\nq-e-qe-7.5/Modules/allocate_fft_3drism.f90\nq-e-qe-7.5/Modules/atom_weight.f90\nq-e-qe-7.5/Modules/atomic_wfc_mod.f90\nq-e-qe-7.5/Modules/autopilot.f90\nq-e-qe-7.5/Modules/basic_algebra_routines.f90\nq-e-qe-7.5/Modules/becmod.f90\nq-e-qe-7.5/Modules/bfgs_module.f90\nq-e-qe-7.5/Modules/bspline.f90\nq-e-qe-7.5/Modules/bz_form.f90\nq-e-qe-7.5/Modules/capital.f90\nq-e-qe-7.5/Modules/cell_base.f90\nq-e-qe-7.5/Modules/cell_nose.f90\nq-e-qe-7.5/Modules/check_stop.f90\nq-e-qe-7.5/Modules/chempot.f90\nq-e-qe-7.5/Modules/chempot_lauerism.f90\nq-e-qe-7.5/Modules/closure.f90\nq-e-qe-7.5/Modules/command_line_options.f90\nq-e-qe-7.5/Modules/compute_dipole.f90\nq-e-qe-7.5/Modules/constants.f90\nq-e-qe-7.5/Modules/constraints_module.f90\nq-e-qe-7.5/Modules/control_flags.f90\nq-e-qe-7.5/Modules/copy_order_um_from_xml.f90\nq-e-qe-7.5/Modules/corrdipole_laue.f90\nq-e-qe-7.5/Modules/correctat0_vv.f90\nq-e-qe-7.5/Modules/corrgxy0_laue.f90\nq-e-qe-7.5/Modules/coulomb_vcut.f90\nq-e-qe-7.5/Modules/cryst_to_car.f90\nq-e-qe-7.5/Modules/cryst_to_car_2d.f90\nq-e-qe-7.5/Modules/customize_signals.c\nq-e-qe-7.5/Modules/data_structure_3drism.f90\nq-e-qe-7.5/Modules/date_and_tim.f90\nq-e-qe-7.5/Modules/deviatoric.f90\nq-e-qe-7.5/Modules/dist.f90\nq-e-qe-7.5/Modules/do_1drism.f90\nq-e-qe-7.5/Modules/do_3drism.f90\nq-e-qe-7.5/Modules/do_lauerism.f90\nq-e-qe-7.5/Modules/electrons_base.f90\nq-e-qe-7.5/Modules/environ_api_stub.f90\nq-e-qe-7.5/Modules/environ_base_module.f90\nq-e-qe-7.5/Modules/environment.f90\nq-e-qe-7.5/Modules/eqn_1drism.f90\nq-e-qe-7.5/Modules/eqn_3drism.f90\nq-e-qe-7.5/Modules/eqn_lauedipole.f90\nq-e-qe-7.5/Modules/eqn_lauegxy0.f90\nq-e-qe-7.5/Modules/eqn_lauelong.f90\nq-e-qe-7.5/Modules/eqn_lauerism.f90\nq-e-qe-7.5/Modules/eqn_laueshort.f90\nq-e-qe-7.5/Modules/eqn_lauevoid.f90\nq-e-qe-7.5/Modules/err_rism.f90\nq-e-qe-7.5/Modules/expint.f90\nq-e-qe-7.5/Modules/extffield.f90\nq-e-qe-7.5/Modules/fd_gradient.f90\nq-e-qe-7.5/Modules/fft_base.f90\nq-e-qe-7.5/Modules/fft_rho.f90\nq-e-qe-7.5/Modules/fft_wave.f90\nq-e-qe-7.5/Modules/fox_init_module.f90\nq-e-qe-7.5/Modules/fsockets.f90\nq-e-qe-7.5/Modules/funct.f90\nq-e-qe-7.5/Modules/generate_function.f90\nq-e-qe-7.5/Modules/generate_k_along_lines.f90\nq-e-qe-7.5/Modules/gradutils.f90\nq-e-qe-7.5/Modules/guess_3drism.f90\nq-e-qe-7.5/Modules/gvecw.f90\nq-e-qe-7.5/Modules/has_xml.f90\nq-e-qe-7.5/Modules/hdf5_qe.f90\nq-e-qe-7.5/Modules/init_1drism.f90\nq-e-qe-7.5/Modules/init_3drism.f90\nq-e-qe-7.5/Modules/inpfile.f90\nq-e-qe-7.5/Modules/input_1drism.f90\nq-e-qe-7.5/Modules/input_3drism.f90\nq-e-qe-7.5/Modules/input_parameters.f90\nq-e-qe-7.5/Modules/int_to_char.f90\nq-e-qe-7.5/Modules/invmat.f90\nq-e-qe-7.5/Modules/io_base.f90\nq-e-qe-7.5/Modules/io_files.f90\nq-e-qe-7.5/Modules/io_global.f90\nq-e-qe-7.5/Modules/io_rism_xml.f90\nq-e-qe-7.5/Modules/ions_base.f90\nq-e-qe-7.5/Modules/ions_nose.f90\nq-e-qe-7.5/Modules/kind.f90\nq-e-qe-7.5/Modules/latgen.f90\nq-e-qe-7.5/Modules/lauefft.f90\nq-e-qe-7.5/Modules/lauefft_subs.f90\nq-e-qe-7.5/Modules/linpack.f90\nq-e-qe-7.5/Modules/lj_forcefield.f90\nq-e-qe-7.5/Modules/lj_solute.f90\nq-e-qe-7.5/Modules/lmdif.f90\nq-e-qe-7.5/Modules/makov_payne.f90\nq-e-qe-7.5/Modules/matches.f90\nq-e-qe-7.5/Modules/mbdlib.f90\nq-e-qe-7.5/Modules/mdiis.f90\nq-e-qe-7.5/Modules/mm_dispersion.f90\nq-e-qe-7.5/Modules/molebridge_vv.f90\nq-e-qe-7.5/Modules/molecorr_vv.f90\nq-e-qe-7.5/Modules/molecule_const.f90\nq-e-qe-7.5/Modules/molecule_types.f90\nq-e-qe-7.5/Modules/more_functionals.f90\nq-e-qe-7.5/Modules/mp_bands.f90\nq-e-qe-7.5/Modules/mp_exx.f90\nq-e-qe-7.5/Modules/mp_global.f90\nq-e-qe-7.5/Modules/mp_images.f90\nq-e-qe-7.5/Modules/mp_pools.f90\nq-e-qe-7.5/Modules/mp_rism.f90\nq-e-qe-7.5/Modules/mp_swap_ax_rism.f90\nq-e-qe-7.5/Modules/mp_wave.f90\nq-e-qe-7.5/Modules/mp_world.f90\nq-e-qe-7.5/Modules/noncol.f90\nq-e-qe-7.5/Modules/normalize_lauerism.f90\nq-e-qe-7.5/Modules/open_close_input_file.f90\nq-e-qe-7.5/Modules/parameters.f90\nq-e-qe-7.5/Modules/parser.f90\nq-e-qe-7.5/Modules/plot_io.f90\nq-e-qe-7.5/Modules/plot_rism.f90\nq-e-qe-7.5/Modules/plugin_arguments.f90\nq-e-qe-7.5/Modules/plugin_flags.f90\nq-e-qe-7.5/Modules/plugin_variables.f90\nq-e-qe-7.5/Modules/potential_3drism.f90\nq-e-qe-7.5/Modules/potential_esm.f90\nq-e-qe-7.5/Modules/potential_vv.f90\nq-e-qe-7.5/Modules/print_chempot_3drism.f90\nq-e-qe-7.5/Modules/print_chempot_lauerism.f90\nq-e-qe-7.5/Modules/print_chempot_vv.f90\nq-e-qe-7.5/Modules/print_corr_vv.f90\nq-e-qe-7.5/Modules/print_solvavg.f90\nq-e-qe-7.5/Modules/printout_base.f90\nq-e-qe-7.5/Modules/pw_dot.f90\nq-e-qe-7.5/Modules/qeh5_module.f90\nq-e-qe-7.5/Modules/qes_bcast_module.f90\nq-e-qe-7.5/Modules/qes_init_module.f90\nq-e-qe-7.5/Modules/qes_libs_module.f90\nq-e-qe-7.5/Modules/qes_read_module.f90\nq-e-qe-7.5/Modules/qes_reset_module.f90\nq-e-qe-7.5/Modules/qes_types_module.f90\nq-e-qe-7.5/Modules/qes_write_module.f90\nq-e-qe-7.5/Modules/qexsd.f90\nq-e-qe-7.5/Modules/qexsd_copy.f90\nq-e-qe-7.5/Modules/qexsd_init.f90\nq-e-qe-7.5/Modules/qexsd_input.f90\nq-e-qe-7.5/Modules/qmmm.f90\nq-e-qe-7.5/Modules/qmmm_aux.c\nq-e-qe-7.5/Modules/radfft.f90\nq-e-qe-7.5/Modules/radial_gradients.f90\nq-e-qe-7.5/Modules/random_numbers.f90\nq-e-qe-7.5/Modules/random_numbers_gpu.f90\nq-e-qe-7.5/Modules/read_cards.f90\nq-e-qe-7.5/Modules/read_input.f90\nq-e-qe-7.5/Modules/read_mol.f90\nq-e-qe-7.5/Modules/read_namelists.f90\nq-e-qe-7.5/Modules/read_pseudo.f90\nq-e-qe-7.5/Modules/read_solv.f90\nq-e-qe-7.5/Modules/recips.f90\nq-e-qe-7.5/Modules/recvec.f90\nq-e-qe-7.5/Modules/recvec_3drism.f90\nq-e-qe-7.5/Modules/recvec_subs.f90\nq-e-qe-7.5/Modules/remove_tot_torque.f90\nq-e-qe-7.5/Modules/rgen.f90\nq-e-qe-7.5/Modules/rism.f90\nq-e-qe-7.5/Modules/rism1d_facade.f90\nq-e-qe-7.5/Modules/rism3d_facade.f90\nq-e-qe-7.5/Modules/rms_residual.f90\nq-e-qe-7.5/Modules/run_info.f90\nq-e-qe-7.5/Modules/scale_fft_3drism.f90\nq-e-qe-7.5/Modules/scale_fft_lauerism.f90\nq-e-qe-7.5/Modules/set_para_diag.f90\nq-e-qe-7.5/Modules/set_signal.f90\nq-e-qe-7.5/Modules/set_vdw_corr.f90\nq-e-qe-7.5/Modules/setqf.f90\nq-e-qe-7.5/Modules/sockets.c\nq-e-qe-7.5/Modules/solute.f90\nq-e-qe-7.5/Modules/solvation_3drism.f90\nq-e-qe-7.5/Modules/solvation_esm.f90\nq-e-qe-7.5/Modules/solvation_force.f90\nq-e-qe-7.5/Modules/solvation_lauerism.f90\nq-e-qe-7.5/Modules/solvation_pbc.f90\nq-e-qe-7.5/Modules/solvation_stress.f90\nq-e-qe-7.5/Modules/solvavg.f90\nq-e-qe-7.5/Modules/solvmol.f90\nq-e-qe-7.5/Modules/sort.f90\nq-e-qe-7.5/Modules/space_group.f90\nq-e-qe-7.5/Modules/summary_1drism.f90\nq-e-qe-7.5/Modules/summary_3drism.f90\nq-e-qe-7.5/Modules/suscept_g0.f90\nq-e-qe-7.5/Modules/suscept_laue.f90\nq-e-qe-7.5/Modules/suscept_laueint.f90\nq-e-qe-7.5/Modules/suscept_vv.f90\nq-e-qe-7.5/Modules/test_input_file.f90\nq-e-qe-7.5/Modules/timestep.f90\nq-e-qe-7.5/Modules/trimcheck.f90\nq-e-qe-7.5/Modules/tsvdw.f90\nq-e-qe-7.5/Modules/version.f90\nq-e-qe-7.5/Modules/volume.f90\nq-e-qe-7.5/Modules/w0gauss.f90\nq-e-qe-7.5/Modules/w1gauss.f90\nq-e-qe-7.5/Modules/wannier_gw.f90\nq-e-qe-7.5/Modules/wannier_new.f90\nq-e-qe-7.5/Modules/wave_gauge.f90\nq-e-qe-7.5/Modules/wavefunctions.f90\nq-e-qe-7.5/Modules/wgauss.f90\nq-e-qe-7.5/Modules/write_rism_type.f90\nq-e-qe-7.5/Modules/ws_base.f90\nq-e-qe-7.5/Modules/wyckoff.f90\nq-e-qe-7.5/Modules/wypos.f90\nq-e-qe-7.5/Modules/xc_rVV10.f90\nq-e-qe-7.5/Modules/xc_vdW_DF.f90\nq-e-qe-7.5/Modules/xml_io_rism.f90\nq-e-qe-7.5/Modules/xsf.f90\nq-e-qe-7.5/Modules/zvscal.f90\nq-e-qe-7.5/NEB/\nq-e-qe-7.5/NEB/CMakeLists.txt\nq-e-qe-7.5/NEB/Doc/\nq-e-qe-7.5/NEB/Doc/INPUT_NEB.def\nq-e-qe-7.5/NEB/Doc/INPUT_NEB.html\nq-e-qe-7.5/NEB/Doc/INPUT_NEB.txt\nq-e-qe-7.5/NEB/Doc/Makefile\nq-e-qe-7.5/NEB/Doc/user_guide.pdf\nq-e-qe-7.5/NEB/Doc/user_guide.tex\nq-e-qe-7.5/NEB/Makefile\nq-e-qe-7.5/NEB/examples/\nq-e-qe-7.5/NEB/examples/ESM_example/\nq-e-qe-7.5/NEB/examples/ESM_example/README\nq-e-qe-7.5/NEB/examples/ESM_example/reference/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.axsf\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.crd\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.dat\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.int\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.path\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.xyz\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/Al001+H_FCP_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/Al001+H_FCP_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/Al001+H_FCP_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/Al001+H_FCP_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/Al001+H_FCP_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/Al001+H_FCP_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/Al001+H_FCP_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/Al001+H_FCP_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/Al001+H_FCP_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/Al001+H_FCP_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.axsf\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.crd\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.dat\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.int\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.path\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.xyz\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.axsf\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.crd\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.dat\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.int\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.path\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3.xyz\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_1/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_1/Al001+H_bc3.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_1/Al001+H_bc3.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_2/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_2/Al001+H_bc3.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_2/Al001+H_bc3.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_3/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_3/Al001+H_bc3.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_3/Al001+H_bc3.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_4/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_4/Al001+H_bc3.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_4/Al001+H_bc3.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_5/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_5/Al001+H_bc3.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_5/Al001+H_bc3.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.axsf\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.crd\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.dat\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.int\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.path\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.xyz\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/Al001+H_bc3_n215.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/Al001+H_bc3_n215.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/Al001+H_bc3_n215.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/Al001+H_bc3_n215.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/Al001+H_bc3_n215.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/Al001+H_bc3_n215.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/Al001+H_bc3_n215.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/Al001+H_bc3_n215.xml\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/Al001+H_bc3_n215.esm1\nq-e-qe-7.5/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/Al001+H_bc3_n215.xml\nq-e-qe-7.5/NEB/examples/ESM_example/run_example\nq-e-qe-7.5/NEB/examples/ESM_example/run_example_ESM\nq-e-qe-7.5/NEB/examples/ESM_example/run_example_FCP\nq-e-qe-7.5/NEB/examples/ESM_example/run_example_GCSCF\nq-e-qe-7.5/NEB/examples/check-neb.x.j\nq-e-qe-7.5/NEB/examples/clean_all\nq-e-qe-7.5/NEB/examples/example01/\nq-e-qe-7.5/NEB/examples/example01/README\nq-e-qe-7.5/NEB/examples/example01/reference/\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.axsf\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.dat\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.int\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.out\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.path\nq-e-qe-7.5/NEB/examples/example01/reference/H2+H.xyz\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.axsf\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.dat\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.int\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.out\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.path\nq-e-qe-7.5/NEB/examples/example01/reference/asymmetric_H2+H.xyz\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.axsf\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.dat\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.int\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.out\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.path\nq-e-qe-7.5/NEB/examples/example01/reference/symmetric_H2+H.xyz\nq-e-qe-7.5/NEB/examples/example01/run_example\nq-e-qe-7.5/NEB/examples/neb0.in\nq-e-qe-7.5/NEB/examples/neb0.ref\nq-e-qe-7.5/NEB/examples/neb1.in\nq-e-qe-7.5/NEB/examples/neb1.ref\nq-e-qe-7.5/NEB/examples/neb2.in\nq-e-qe-7.5/NEB/examples/neb2.ref\nq-e-qe-7.5/NEB/src/\nq-e-qe-7.5/NEB/src/Makefile\nq-e-qe-7.5/NEB/src/bcast_file.f90\nq-e-qe-7.5/NEB/src/compute_scf.f90\nq-e-qe-7.5/NEB/src/engine_to_path_alat.f90\nq-e-qe-7.5/NEB/src/engine_to_path_fix_atom_pos.f90\nq-e-qe-7.5/NEB/src/engine_to_path_nat.f90\nq-e-qe-7.5/NEB/src/engine_to_path_pos.f90\nq-e-qe-7.5/NEB/src/engine_to_path_tot_charge.f90\nq-e-qe-7.5/NEB/src/fcp_opt_routines.f90\nq-e-qe-7.5/NEB/src/fcp_variables.f90\nq-e-qe-7.5/NEB/src/gcscf_variables.f90\nq-e-qe-7.5/NEB/src/neb.f90\nq-e-qe-7.5/NEB/src/neb_input.f90\nq-e-qe-7.5/NEB/src/path_base.f90\nq-e-qe-7.5/NEB/src/path_formats.f90\nq-e-qe-7.5/NEB/src/path_gen_inputs.f90\nq-e-qe-7.5/NEB/src/path_input_parameters_module.f90\nq-e-qe-7.5/NEB/src/path_interpolation.f90\nq-e-qe-7.5/NEB/src/path_io_routines.f90\nq-e-qe-7.5/NEB/src/path_io_tools.f90\nq-e-qe-7.5/NEB/src/path_io_units_module.f90\nq-e-qe-7.5/NEB/src/path_opt_routines.f90\nq-e-qe-7.5/NEB/src/path_read_cards_module.f90\nq-e-qe-7.5/NEB/src/path_read_namelists_module.f90\nq-e-qe-7.5/NEB/src/path_reparametrisation.f90\nq-e-qe-7.5/NEB/src/path_to_engine_fix_atom_pos.f90\nq-e-qe-7.5/NEB/src/path_variables.f90\nq-e-qe-7.5/NEB/src/set_defaults.f90\nq-e-qe-7.5/NEB/src/stop_run_path.f90\nq-e-qe-7.5/NEB/tools/\nq-e-qe-7.5/NEB/tools/path_interpolation.sh\nq-e-qe-7.5/NEB/tools/path_merge.sh\nq-e-qe-7.5/PHonon/\nq-e-qe-7.5/PHonon/CMakeLists.txt\nq-e-qe-7.5/PHonon/Doc/\nq-e-qe-7.5/PHonon/Doc/INPUT_DYNMAT.def\nq-e-qe-7.5/PHonon/Doc/INPUT_DYNMAT.html\nq-e-qe-7.5/PHonon/Doc/INPUT_DYNMAT.txt\nq-e-qe-7.5/PHonon/Doc/INPUT_DYNMAT.xml\nq-e-qe-7.5/PHonon/Doc/INPUT_Gamma\nq-e-qe-7.5/PHonon/Doc/INPUT_MATDYN.def\nq-e-qe-7.5/PHonon/Doc/INPUT_MATDYN.html\nq-e-qe-7.5/PHonon/Doc/INPUT_MATDYN.txt\nq-e-qe-7.5/PHonon/Doc/INPUT_MATDYN.xml\nq-e-qe-7.5/PHonon/Doc/INPUT_PH.def\nq-e-qe-7.5/PHonon/Doc/INPUT_PH.html\nq-e-qe-7.5/PHonon/Doc/INPUT_PH.txt\nq-e-qe-7.5/PHonon/Doc/INPUT_PH.xml\nq-e-qe-7.5/PHonon/Doc/INPUT_POSTAHC.def\nq-e-qe-7.5/PHonon/Doc/INPUT_POSTAHC.html\nq-e-qe-7.5/PHonon/Doc/INPUT_POSTAHC.txt\nq-e-qe-7.5/PHonon/Doc/INPUT_POSTAHC.xml\nq-e-qe-7.5/PHonon/Doc/INPUT_Q2R.def\nq-e-qe-7.5/PHonon/Doc/INPUT_Q2R.html\nq-e-qe-7.5/PHonon/Doc/INPUT_Q2R.txt\nq-e-qe-7.5/PHonon/Doc/INPUT_Q2R.xml\nq-e-qe-7.5/PHonon/Doc/Makefile\nq-e-qe-7.5/PHonon/Doc/developer_man.pdf\nq-e-qe-7.5/PHonon/Doc/dfpt_self_energy.pdf\nq-e-qe-7.5/PHonon/Doc/dfpt_self_energy.tex\nq-e-qe-7.5/PHonon/Doc/dfpt_tetra.pdf\nq-e-qe-7.5/PHonon/Doc/dfpt_tetra.tex\nq-e-qe-7.5/PHonon/Doc/input_xx.xsl\nq-e-qe-7.5/PHonon/Doc/pic/\nq-e-qe-7.5/PHonon/Doc/pic/elph_tetra.pdf\nq-e-qe-7.5/PHonon/Doc/user_guide.pdf\nq-e-qe-7.5/PHonon/Doc/user_guide.tex\nq-e-qe-7.5/PHonon/FD/\nq-e-qe-7.5/PHonon/FD/Makefile\nq-e-qe-7.5/PHonon/FD/example/\nq-e-qe-7.5/PHonon/FD/example/README\nq-e-qe-7.5/PHonon/FD/example/Si_example/\nq-e-qe-7.5/PHonon/FD/example/Si_example/fd.in\nq-e-qe-7.5/PHonon/FD/example/Si_example/fd_ifc.in\nq-e-qe-7.5/PHonon/FD/example/Si_example/run_fd\nq-e-qe-7.5/PHonon/FD/example/Si_example/si.scf.in\nq-e-qe-7.5/PHonon/FD/fd.f90\nq-e-qe-7.5/PHonon/FD/fd_ef.f90\nq-e-qe-7.5/PHonon/FD/fd_ifc.f90\nq-e-qe-7.5/PHonon/FD/run_fd\nq-e-qe-7.5/PHonon/FD/stop_pp.f90\nq-e-qe-7.5/PHonon/Ford.md\nq-e-qe-7.5/PHonon/Ford/\nq-e-qe-7.5/PHonon/Ford/index.md\nq-e-qe-7.5/PHonon/Gamma/\nq-e-qe-7.5/PHonon/Gamma/Makefile\nq-e-qe-7.5/PHonon/Gamma/a_h.f90\nq-e-qe-7.5/PHonon/Gamma/cg_readin.f90\nq-e-qe-7.5/PHonon/Gamma/cg_setup.f90\nq-e-qe-7.5/PHonon/Gamma/cgcom.f90\nq-e-qe-7.5/PHonon/Gamma/cgsolve.f90\nq-e-qe-7.5/PHonon/Gamma/d2ion.f90\nq-e-qe-7.5/PHonon/Gamma/dgradcorr.f90\nq-e-qe-7.5/PHonon/Gamma/dielec.f90\nq-e-qe-7.5/PHonon/Gamma/drhodv.f90\nq-e-qe-7.5/PHonon/Gamma/dvb_cc.f90\nq-e-qe-7.5/PHonon/Gamma/dvpsi_e.f90\nq-e-qe-7.5/PHonon/Gamma/dvpsi_kb.f90\nq-e-qe-7.5/PHonon/Gamma/dyndiar.f90\nq-e-qe-7.5/PHonon/Gamma/dynmat_init.f90\nq-e-qe-7.5/PHonon/Gamma/dynmatcc.f90\nq-e-qe-7.5/PHonon/Gamma/find_equiv_sites.f90\nq-e-qe-7.5/PHonon/Gamma/generate_dynamical_matrix.f90\nq-e-qe-7.5/PHonon/Gamma/generate_effective_charges.f90\nq-e-qe-7.5/PHonon/Gamma/h_h.f90\nq-e-qe-7.5/PHonon/Gamma/macro.f90\nq-e-qe-7.5/PHonon/Gamma/phcg.f90\nq-e-qe-7.5/PHonon/Gamma/rhod2vkb.f90\nq-e-qe-7.5/PHonon/Gamma/solve_e.f90\nq-e-qe-7.5/PHonon/Gamma/solve_ph.f90\nq-e-qe-7.5/PHonon/Gamma/writedyn.f90\nq-e-qe-7.5/PHonon/Makefile\nq-e-qe-7.5/PHonon/PH/\nq-e-qe-7.5/PHonon/PH/Makefile\nq-e-qe-7.5/PHonon/PH/acfdtest.f90\nq-e-qe-7.5/PHonon/PH/add_dkmds.f90\nq-e-qe-7.5/PHonon/PH/add_for_charges.f90\nq-e-qe-7.5/PHonon/PH/add_zstar_ue.f90\nq-e-qe-7.5/PHonon/PH/add_zstar_ue_us.f90\nq-e-qe-7.5/PHonon/PH/addcore.f90\nq-e-qe-7.5/PHonon/PH/addnlcc_zstar_eu_us.f90\nq-e-qe-7.5/PHonon/PH/addusddens.f90\nq-e-qe-7.5/PHonon/PH/addusddens_cond.f90\nq-e-qe-7.5/PHonon/PH/addusddense.f90\nq-e-qe-7.5/PHonon/PH/addusdynmat.f90\nq-e-qe-7.5/PHonon/PH/ahc.f90\nq-e-qe-7.5/PHonon/PH/allocate_part.f90\nq-e-qe-7.5/PHonon/PH/allocate_pert.f90\nq-e-qe-7.5/PHonon/PH/allocate_phq.f90\nq-e-qe-7.5/PHonon/PH/alpha2f.f90\nq-e-qe-7.5/PHonon/PH/bcast_ph_input.f90\nq-e-qe-7.5/PHonon/PH/cch_psi_all.f90\nq-e-qe-7.5/PHonon/PH/check_if_partial_dyn.f90\nq-e-qe-7.5/PHonon/PH/check_initial_status.f90\nq-e-qe-7.5/PHonon/PH/check_restart_recover.f90\nq-e-qe-7.5/PHonon/PH/chi_test.f90\nq-e-qe-7.5/PHonon/PH/clean_pw_ph.f90\nq-e-qe-7.5/PHonon/PH/clinear.f90\nq-e-qe-7.5/PHonon/PH/close_phq.f90\nq-e-qe-7.5/PHonon/PH/compute_alphasum.f90\nq-e-qe-7.5/PHonon/PH/compute_alphasum_cond.f90\nq-e-qe-7.5/PHonon/PH/compute_becalp.f90\nq-e-qe-7.5/PHonon/PH/compute_becsum_ph.f90\nq-e-qe-7.5/PHonon/PH/compute_becsum_ph_cond.f90\nq-e-qe-7.5/PHonon/PH/compute_drhous.f90\nq-e-qe-7.5/PHonon/PH/compute_drhous_nc.f90\nq-e-qe-7.5/PHonon/PH/compute_dvloc.f90\nq-e-qe-7.5/PHonon/PH/compute_nldyn.f90\nq-e-qe-7.5/PHonon/PH/compute_weight.f90\nq-e-qe-7.5/PHonon/PH/d2ionq.f90\nq-e-qe-7.5/PHonon/PH/d2ionq_disp.f90\nq-e-qe-7.5/PHonon/PH/d2mxc.f90\nq-e-qe-7.5/PHonon/PH/d2nsq_bare.f90\nq-e-qe-7.5/PHonon/PH/davcio_drho.f90\nq-e-qe-7.5/PHonon/PH/deallocate_part.f90\nq-e-qe-7.5/PHonon/PH/deallocate_phq.f90\nq-e-qe-7.5/PHonon/PH/delta_sphi.f90\nq-e-qe-7.5/PHonon/PH/dfile_autoname.f90\nq-e-qe-7.5/PHonon/PH/dfile_star.f90\nq-e-qe-7.5/PHonon/PH/dfpt_kernels.f90\nq-e-qe-7.5/PHonon/PH/dhdrhopsi.f90\nq-e-qe-7.5/PHonon/PH/dielec.f90\nq-e-qe-7.5/PHonon/PH/dielec_test.f90\nq-e-qe-7.5/PHonon/PH/dnsq_bare.f90\nq-e-qe-7.5/PHonon/PH/dnsq_orth.f90\nq-e-qe-7.5/PHonon/PH/dnsq_orth_set_irr.f90\nq-e-qe-7.5/PHonon/PH/dnsq_scf.f90\nq-e-qe-7.5/PHonon/PH/do_phonon.f90\nq-e-qe-7.5/PHonon/PH/do_q2r.f90\nq-e-qe-7.5/PHonon/PH/dpsi_orth.f90\nq-e-qe-7.5/PHonon/PH/drho.f90\nq-e-qe-7.5/PHonon/PH/drhodv.f90\nq-e-qe-7.5/PHonon/PH/drhodvloc.f90\nq-e-qe-7.5/PHonon/PH/drhodvnl.f90\nq-e-qe-7.5/PHonon/PH/drhodvus.f90\nq-e-qe-7.5/PHonon/PH/dump_drho.f90\nq-e-qe-7.5/PHonon/PH/dvanqq.f90\nq-e-qe-7.5/PHonon/PH/dvkb3.f90\nq-e-qe-7.5/PHonon/PH/dvpsi_e.f90\nq-e-qe-7.5/PHonon/PH/dvpsi_e2.f90\nq-e-qe-7.5/PHonon/PH/dvqhub_barepsi_us.f90\nq-e-qe-7.5/PHonon/PH/dvqhub_barepsi_us2.f90\nq-e-qe-7.5/PHonon/PH/dvqpsi_us.f90\nq-e-qe-7.5/PHonon/PH/dvqpsi_us_only.f90\nq-e-qe-7.5/PHonon/PH/dvscf_interpolate.f90\nq-e-qe-7.5/PHonon/PH/dvscf_q2r.f90\nq-e-qe-7.5/PHonon/PH/dwfc.f90\nq-e-qe-7.5/PHonon/PH/dyndia.f90\nq-e-qe-7.5/PHonon/PH/dynmat.f90\nq-e-qe-7.5/PHonon/PH/dynmat0.f90\nq-e-qe-7.5/PHonon/PH/dynmat_hub_bare.f90\nq-e-qe-7.5/PHonon/PH/dynmat_hub_scf.f90\nq-e-qe-7.5/PHonon/PH/dynmat_nlcc.f90\nq-e-qe-7.5/PHonon/PH/dynmat_us.f90\nq-e-qe-7.5/PHonon/PH/dynmatcc.f90\nq-e-qe-7.5/PHonon/PH/dynmatrix.f90\nq-e-qe-7.5/PHonon/PH/el_opt.f90\nq-e-qe-7.5/PHonon/PH/el_ph_collect.f90\nq-e-qe-7.5/PHonon/PH/elph.f90\nq-e-qe-7.5/PHonon/PH/elph_scdft_mod.f90\nq-e-qe-7.5/PHonon/PH/elph_tetra_mod.f90\nq-e-qe-7.5/PHonon/PH/elphon.f90\nq-e-qe-7.5/PHonon/PH/ep_matrix_element_wannier.f90\nq-e-qe-7.5/PHonon/PH/epa.f90\nq-e-qe-7.5/PHonon/PH/find_equiv_sites.f90\nq-e-qe-7.5/PHonon/PH/find_irrep.f90\nq-e-qe-7.5/PHonon/PH/find_mode_sym.f90\nq-e-qe-7.5/PHonon/PH/fqha.f90\nq-e-qe-7.5/PHonon/PH/generate_dynamical_matrix_c.f90\nq-e-qe-7.5/PHonon/PH/generate_effective_charges_c.f90\nq-e-qe-7.5/PHonon/PH/gmressolve_all.f90\nq-e-qe-7.5/PHonon/PH/hdiag.f90\nq-e-qe-7.5/PHonon/PH/incdrhous.f90\nq-e-qe-7.5/PHonon/PH/incdrhous_nc.f90\nq-e-qe-7.5/PHonon/PH/init_representations.f90\nq-e-qe-7.5/PHonon/PH/initialize_ph.f90\nq-e-qe-7.5/PHonon/PH/io_dyn_mat.f90\nq-e-qe-7.5/PHonon/PH/io_dyn_mat_old.f90\nq-e-qe-7.5/PHonon/PH/io_pattern.f90\nq-e-qe-7.5/PHonon/PH/lambda.f90\nq-e-qe-7.5/PHonon/PH/matdyn.f90\nq-e-qe-7.5/PHonon/PH/obsolete.f90\nq-e-qe-7.5/PHonon/PH/openfilq.f90\nq-e-qe-7.5/PHonon/PH/pcgreen.f90\nq-e-qe-7.5/PHonon/PH/ph_restart.f90\nq-e-qe-7.5/PHonon/PH/ph_set_upert.f90\nq-e-qe-7.5/PHonon/PH/phcom.f90\nq-e-qe-7.5/PHonon/PH/phescf.f90\nq-e-qe-7.5/PHonon/PH/phonon.f90\nq-e-qe-7.5/PHonon/PH/phq_init.f90\nq-e-qe-7.5/PHonon/PH/phq_readin.f90\nq-e-qe-7.5/PHonon/PH/phq_recover.f90\nq-e-qe-7.5/PHonon/PH/phq_setup.f90\nq-e-qe-7.5/PHonon/PH/phq_summary.f90\nq-e-qe-7.5/PHonon/PH/phqscf.f90\nq-e-qe-7.5/PHonon/PH/polariz.f90\nq-e-qe-7.5/PHonon/PH/postahc.f90\nq-e-qe-7.5/PHonon/PH/prepare_q.f90\nq-e-qe-7.5/PHonon/PH/prepare_sym_analysis.f90\nq-e-qe-7.5/PHonon/PH/print_clock_ph.f90\nq-e-qe-7.5/PHonon/PH/psidspsi.f90\nq-e-qe-7.5/PHonon/PH/psyme2.f90\nq-e-qe-7.5/PHonon/PH/punch_plot_e.f90\nq-e-qe-7.5/PHonon/PH/q2qstar.f90\nq-e-qe-7.5/PHonon/PH/q2qstar_ph.f90\nq-e-qe-7.5/PHonon/PH/q2r.f90\nq-e-qe-7.5/PHonon/PH/q_points.f90\nq-e-qe-7.5/PHonon/PH/q_points_wannier.f90\nq-e-qe-7.5/PHonon/PH/raman.f90\nq-e-qe-7.5/PHonon/PH/raman_mat.f90\nq-e-qe-7.5/PHonon/PH/ramanm.f90\nq-e-qe-7.5/PHonon/PH/random_matrix.f90\nq-e-qe-7.5/PHonon/PH/read_wfc_rspace_and_fwfft.f90\nq-e-qe-7.5/PHonon/PH/rigid.f90\nq-e-qe-7.5/PHonon/PH/rotate_and_add_dyn.f90\nq-e-qe-7.5/PHonon/PH/rotate_dvscf_star.f90\nq-e-qe-7.5/PHonon/PH/rotate_pattern_add.f90\nq-e-qe-7.5/PHonon/PH/run_nscf.f90\nq-e-qe-7.5/PHonon/PH/save_ph_input.f90\nq-e-qe-7.5/PHonon/PH/set_asr_c.f90\nq-e-qe-7.5/PHonon/PH/set_drhoc.f90\nq-e-qe-7.5/PHonon/PH/set_dvscf.f90\nq-e-qe-7.5/PHonon/PH/set_int12_nc.f90\nq-e-qe-7.5/PHonon/PH/set_irr.f90\nq-e-qe-7.5/PHonon/PH/set_irr_nosym.f90\nq-e-qe-7.5/PHonon/PH/set_irr_sym.f90\nq-e-qe-7.5/PHonon/PH/setlocq.f90\nq-e-qe-7.5/PHonon/PH/solve_e.f90\nq-e-qe-7.5/PHonon/PH/solve_e2.f90\nq-e-qe-7.5/PHonon/PH/solve_e_fpol.f90\nq-e-qe-7.5/PHonon/PH/solve_e_nscf.f90\nq-e-qe-7.5/PHonon/PH/solve_linter.f90\nq-e-qe-7.5/PHonon/PH/stop_ph.f90\nq-e-qe-7.5/PHonon/PH/summarize.f90\nq-e-qe-7.5/PHonon/PH/swfc.f90\nq-e-qe-7.5/PHonon/PH/sym_and_write_zue.f90\nq-e-qe-7.5/PHonon/PH/sym_dns.f90\nq-e-qe-7.5/PHonon/PH/sym_dns_wrapper.f90\nq-e-qe-7.5/PHonon/PH/symdyn_munu.f90\nq-e-qe-7.5/PHonon/PH/symdynph_gq.f90\nq-e-qe-7.5/PHonon/PH/syme2.f90\nq-e-qe-7.5/PHonon/PH/symm.f90\nq-e-qe-7.5/PHonon/PH/symmorphic_or_nzb.f90\nq-e-qe-7.5/PHonon/PH/tra_write_matrix.f90\nq-e-qe-7.5/PHonon/PH/transform_alphasum_nc.f90\nq-e-qe-7.5/PHonon/PH/transform_alphasum_so.f90\nq-e-qe-7.5/PHonon/PH/transform_int_nc.f90\nq-e-qe-7.5/PHonon/PH/transform_int_so.f90\nq-e-qe-7.5/PHonon/PH/trntnsc.f90\nq-e-qe-7.5/PHonon/PH/twochem_postproc_dfpt.f90\nq-e-qe-7.5/PHonon/PH/write_eigenvectors.f90\nq-e-qe-7.5/PHonon/PH/write_epsilon_and_zeu.f90\nq-e-qe-7.5/PHonon/PH/write_hub.f90\nq-e-qe-7.5/PHonon/PH/write_matrix.f90\nq-e-qe-7.5/PHonon/PH/write_modes.f90\nq-e-qe-7.5/PHonon/PH/write_qplot_data.f90\nq-e-qe-7.5/PHonon/PH/write_ramtns.f90\nq-e-qe-7.5/PHonon/PH/write_rec.f90\nq-e-qe-7.5/PHonon/PH/yambo.f90\nq-e-qe-7.5/PHonon/PH/zstar_eu.f90\nq-e-qe-7.5/PHonon/PH/zstar_eu_us.f90\nq-e-qe-7.5/PHonon/examples/\nq-e-qe-7.5/PHonon/examples/GRID_example/\nq-e-qe-7.5/PHonon/examples/GRID_example/README\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/alas.ph.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/alas.ph.out0\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/alas.phdos\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/alas.scf.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/matdyn.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.1.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.2.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.3.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.4.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.5.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.6.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.7.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/output.8.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/alas.phdos\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/alas.scf.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.7\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/output.8\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_1/q2r.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.7\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_2/al.elph.out.8\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.444.fc.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn0\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn1.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn2.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn3.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn4.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn5.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn6.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn7.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.dyn8.xml\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.freq\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.freq.rap\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.ph.in0\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.ph.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.ph.out0\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.phdos\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/alas.scf.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.1.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.1.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.1.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.2.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.2.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.3.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.3.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.4.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.4.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.5.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/freq.plot.5.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/matdyn.freq\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/matdyn.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/matdyn.freq.rap\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/matdyn.modes\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/matdyn.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.1.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.2.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.3.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.4.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.5.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.6.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.7.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.1\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.2\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.3\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.4\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.5\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/output.8.6\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/phdos.out\nq-e-qe-7.5/PHonon/examples/GRID_example/reference_3/q2r.out\nq-e-qe-7.5/PHonon/examples/GRID_example/run_example\nq-e-qe-7.5/PHonon/examples/GRID_example/run_example_1\nq-e-qe-7.5/PHonon/examples/GRID_example/run_example_2\nq-e-qe-7.5/PHonon/examples/GRID_example/run_example_3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/README\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.444.fc\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dispersions.ps\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn0\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn7\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.dyn8\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.freq\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.collect.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.prep.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.phdos\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.phdos.ps\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/alas.scf.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/freq.plot\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/matdyn.freq\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/matdyn.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/matdyn.modes\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/matdyn.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/phdos.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dispersions.ps\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn0\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn1\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn2\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn3\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn4\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn5\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn6\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn7\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.dyn8\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.freq\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.ph.collect.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.ph.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.ph.rec.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.phdos\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.phdos.ps\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas.scf.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/alas444.fc\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/freq.plot\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/matdyn.freq\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/matdyn.freq.gp\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/matdyn.modes\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/matdyn.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/out.1_0\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/phdos.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/reference_2/q2r.out\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/run_example\nq-e-qe-7.5/PHonon/examples/GRID_recover_example/run_example_2\nq-e-qe-7.5/PHonon/examples/Image_example/\nq-e-qe-7.5/PHonon/examples/Image_example/README\nq-e-qe-7.5/PHonon/examples/Image_example/reference/\nq-e-qe-7.5/PHonon/examples/Image_example/reference/alas.ph.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference/alas.ph.out1\nq-e-qe-7.5/PHonon/examples/Image_example/reference/alas.phdos\nq-e-qe-7.5/PHonon/examples/Image_example/reference/alas.scf.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference/matdyn.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference/out.1_0\nq-e-qe-7.5/PHonon/examples/Image_example/reference/phdos.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn0\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn1\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn2\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn3\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn4\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn5\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn6\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn7\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.disp.dyn8\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn0\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn1\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn10\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn11\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn12\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn13\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn14\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn15\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn16\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.dyn17\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.freq\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.ph.collect.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.ph.disp.collect.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.ph.disp.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.ph.out\nq-e-qe-7.5/PHonon/examples/Image_example/reference_1/al.scf.out\nq-e-qe-7.5/PHonon/examples/Image_example/run_example\nq-e-qe-7.5/PHonon/examples/Image_example/run_example_1\nq-e-qe-7.5/PHonon/examples/Partial_example/\nq-e-qe-7.5/PHonon/examples/Partial_example/README\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/ch4.phA1.out\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/ch4.phE.out1\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/ch4.phE.out2\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/ch4.phG.out\nq-e-qe-7.5/PHonon/examples/Partial_example/reference/ch4.scf.out\nq-e-qe-7.5/PHonon/examples/Partial_example/run_example\nq-e-qe-7.5/PHonon/examples/README\nq-e-qe-7.5/PHonon/examples/Recover_example/\nq-e-qe-7.5/PHonon/examples/Recover_example/README\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Au.phX_rel.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Au.phX_rel.out2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Au.scf_rel.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Cu.phG_pbe.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Cu.phG_pbe.out2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Cu.phX_pbe_one_mode.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Cu.phX_pbe_one_mode.out2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/Cu.scf_pbe.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/ni.phX.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/ni.phX.out2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/ni.scf.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/si.phG.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/si.phG.out2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference/si.scf.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/Al444.fc\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/Al444.freq\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/Al444.freq.gp\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos10\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/a2F.dos9\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn0\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.dyn8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.elph.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.elph.out1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.scf.fit.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/al.scf.out\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/dyna2F\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.61\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.62\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.63\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.64\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.65\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.66\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.67\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.68\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.69\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.70\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.1\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.2\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.3\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.4\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.5\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.6\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.7\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.8\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/lambda\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/matdyn.in.dos\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/matdyn.modes\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/matdyn.out.dos\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/phonon.dos\nq-e-qe-7.5/PHonon/examples/Recover_example/reference_1/q2r.out\nq-e-qe-7.5/PHonon/examples/Recover_example/run_example\nq-e-qe-7.5/PHonon/examples/Recover_example/run_example_1\nq-e-qe-7.5/PHonon/examples/clean_all\nq-e-qe-7.5/PHonon/examples/example01/\nq-e-qe-7.5/PHonon/examples/example01/README\nq-e-qe-7.5/PHonon/examples/example01/reference/\nq-e-qe-7.5/PHonon/examples/example01/reference/c.phG.out\nq-e-qe-7.5/PHonon/examples/example01/reference/c.scf.out\nq-e-qe-7.5/PHonon/examples/example01/reference/ni.phX.out\nq-e-qe-7.5/PHonon/examples/example01/reference/ni.scf.out\nq-e-qe-7.5/PHonon/examples/example01/reference/si.phG.out\nq-e-qe-7.5/PHonon/examples/example01/reference/si.phX.out\nq-e-qe-7.5/PHonon/examples/example01/reference/si.phXsingle.out\nq-e-qe-7.5/PHonon/examples/example01/reference/si.scf.out\nq-e-qe-7.5/PHonon/examples/example01/run_example\nq-e-qe-7.5/PHonon/examples/example014/\nq-e-qe-7.5/PHonon/examples/example014/run_example_ep_simple\nq-e-qe-7.5/PHonon/examples/example02/\nq-e-qe-7.5/PHonon/examples/example02/README\nq-e-qe-7.5/PHonon/examples/example02/reference/\nq-e-qe-7.5/PHonon/examples/example02/reference/alas.freq\nq-e-qe-7.5/PHonon/examples/example02/reference/alas.ph.out\nq-e-qe-7.5/PHonon/examples/example02/reference/alas.phdos\nq-e-qe-7.5/PHonon/examples/example02/reference/alas.scf.out\nq-e-qe-7.5/PHonon/examples/example02/reference/matdyn.modes\nq-e-qe-7.5/PHonon/examples/example02/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/example02/run_example\nq-e-qe-7.5/PHonon/examples/example03/\nq-e-qe-7.5/PHonon/examples/example03/README\nq-e-qe-7.5/PHonon/examples/example03/reference/\nq-e-qe-7.5/PHonon/examples/example03/reference/al.elph.out\nq-e-qe-7.5/PHonon/examples/example03/reference/al.scf.fit.out\nq-e-qe-7.5/PHonon/examples/example03/reference/al.scf.out\nq-e-qe-7.5/PHonon/examples/example03/reference/lambda\nq-e-qe-7.5/PHonon/examples/example03/run_example\nq-e-qe-7.5/PHonon/examples/example04/\nq-e-qe-7.5/PHonon/examples/example04/README\nq-e-qe-7.5/PHonon/examples/example04/reference/\nq-e-qe-7.5/PHonon/examples/example04/reference/ch4.dyn.out\nq-e-qe-7.5/PHonon/examples/example04/reference/ch4.nm.out\nq-e-qe-7.5/PHonon/examples/example04/reference/ch4.scf.out\nq-e-qe-7.5/PHonon/examples/example04/run_example\nq-e-qe-7.5/PHonon/examples/example05/\nq-e-qe-7.5/PHonon/examples/example05/README\nq-e-qe-7.5/PHonon/examples/example05/reference/\nq-e-qe-7.5/PHonon/examples/example05/reference/alas.dynG\nq-e-qe-7.5/PHonon/examples/example05/reference/alas.ph.out\nq-e-qe-7.5/PHonon/examples/example05/reference/alas.scf.out\nq-e-qe-7.5/PHonon/examples/example05/run_example\nq-e-qe-7.5/PHonon/examples/example06/\nq-e-qe-7.5/PHonon/examples/example06/README\nq-e-qe-7.5/PHonon/examples/example06/reference/\nq-e-qe-7.5/PHonon/examples/example06/reference/pt.ph.out\nq-e-qe-7.5/PHonon/examples/example06/reference/pt.phX.out\nq-e-qe-7.5/PHonon/examples/example06/reference/pt.scf_ph.out\nq-e-qe-7.5/PHonon/examples/example06/run_example\nq-e-qe-7.5/PHonon/examples/example07/\nq-e-qe-7.5/PHonon/examples/example07/README\nq-e-qe-7.5/PHonon/examples/example07/reference/\nq-e-qe-7.5/PHonon/examples/example07/reference/ni.phG.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni.phX.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni.phX2.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni.scf.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni_so.phG.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni_so.phX.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni_so.phX2.out\nq-e-qe-7.5/PHonon/examples/example07/reference/ni_so.scf.out\nq-e-qe-7.5/PHonon/examples/example07/reference/pt.phG.out\nq-e-qe-7.5/PHonon/examples/example07/reference/pt.phX.out\nq-e-qe-7.5/PHonon/examples/example07/reference/pt.scf.out\nq-e-qe-7.5/PHonon/examples/example07/run_example\nq-e-qe-7.5/PHonon/examples/example08/\nq-e-qe-7.5/PHonon/examples/example08/README\nq-e-qe-7.5/PHonon/examples/example08/reference/\nq-e-qe-7.5/PHonon/examples/example08/reference/Cu.phG_pbe.out\nq-e-qe-7.5/PHonon/examples/example08/reference/Cu.scf_pbe.out\nq-e-qe-7.5/PHonon/examples/example08/reference/c.phG.out\nq-e-qe-7.5/PHonon/examples/example08/reference/c.phX.out\nq-e-qe-7.5/PHonon/examples/example08/reference/c.scf.out\nq-e-qe-7.5/PHonon/examples/example08/reference/ch4.nm.out\nq-e-qe-7.5/PHonon/examples/example08/reference/ch4.scf.out\nq-e-qe-7.5/PHonon/examples/example08/run_example\nq-e-qe-7.5/PHonon/examples/example09/\nq-e-qe-7.5/PHonon/examples/example09/README\nq-e-qe-7.5/PHonon/examples/example09/reference/\nq-e-qe-7.5/PHonon/examples/example09/reference/ch4.fpol.out\nq-e-qe-7.5/PHonon/examples/example09/reference/ch4.scf.out\nq-e-qe-7.5/PHonon/examples/example09/run_example\nq-e-qe-7.5/PHonon/examples/example10/\nq-e-qe-7.5/PHonon/examples/example10/README\nq-e-qe-7.5/PHonon/examples/example10/reference/\nq-e-qe-7.5/PHonon/examples/example10/reference/c.phG.out\nq-e-qe-7.5/PHonon/examples/example10/reference/c.scf.out\nq-e-qe-7.5/PHonon/examples/example10/reference/o2.phG.out\nq-e-qe-7.5/PHonon/examples/example10/reference/o2.scf.out\nq-e-qe-7.5/PHonon/examples/example10/reference/o2_nc.phG.out\nq-e-qe-7.5/PHonon/examples/example10/reference/o2_nc.scf.out\nq-e-qe-7.5/PHonon/examples/example10/reference/si.phG.out\nq-e-qe-7.5/PHonon/examples/example10/reference/si.scf.out\nq-e-qe-7.5/PHonon/examples/example10/run_example\nq-e-qe-7.5/PHonon/examples/example11/\nq-e-qe-7.5/PHonon/examples/example11/README\nq-e-qe-7.5/PHonon/examples/example11/reference/\nq-e-qe-7.5/PHonon/examples/example11/reference/Au.phG_pz.out\nq-e-qe-7.5/PHonon/examples/example11/reference/Au.phX_pz.out\nq-e-qe-7.5/PHonon/examples/example11/reference/Au.scf_pz.out\nq-e-qe-7.5/PHonon/examples/example11/run_example\nq-e-qe-7.5/PHonon/examples/example12/\nq-e-qe-7.5/PHonon/examples/example12/README\nq-e-qe-7.5/PHonon/examples/example12/reference/\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4-gga.dyn.out\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4-gga.nm.out\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4-gga.scf.out\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4.dyn.out\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4.nm.out\nq-e-qe-7.5/PHonon/examples/example12/reference/sih4.scf.out\nq-e-qe-7.5/PHonon/examples/example12/run_example\nq-e-qe-7.5/PHonon/examples/example13/\nq-e-qe-7.5/PHonon/examples/example13/reference/\nq-e-qe-7.5/PHonon/examples/example13/reference/ni.ph.out\nq-e-qe-7.5/PHonon/examples/example13/reference/ni.scf.out\nq-e-qe-7.5/PHonon/examples/example13/run_example\nq-e-qe-7.5/PHonon/examples/example14/\nq-e-qe-7.5/PHonon/examples/example14/README\nq-e-qe-7.5/PHonon/examples/example14/reference/\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn0\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn1\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn2\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn3\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn4\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn5\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn6\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn7\nq-e-qe-7.5/PHonon/examples/example14/reference/al.disp.dyn8\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn.freq\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn0\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn1\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn10\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn11\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn12\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn13\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn14\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn15\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn16\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn17\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn2\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn3\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn4\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn5\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn6\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn7\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn8\nq-e-qe-7.5/PHonon/examples/example14/reference/al.dyn9\nq-e-qe-7.5/PHonon/examples/example14/reference/al.freq\nq-e-qe-7.5/PHonon/examples/example14/reference/al.freq.gp\nq-e-qe-7.5/PHonon/examples/example14/reference/al.ph.disp.out\nq-e-qe-7.5/PHonon/examples/example14/reference/al.ph.out\nq-e-qe-7.5/PHonon/examples/example14/reference/al.scf.out\nq-e-qe-7.5/PHonon/examples/example14/reference/freq.disp.plot\nq-e-qe-7.5/PHonon/examples/example14/reference/freq.plot\nq-e-qe-7.5/PHonon/examples/example14/reference/matdyn.modes\nq-e-qe-7.5/PHonon/examples/example14/reference/matdyn.out\nq-e-qe-7.5/PHonon/examples/example14/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/example14/run_example\nq-e-qe-7.5/PHonon/examples/example15/\nq-e-qe-7.5/PHonon/examples/example15/README\nq-e-qe-7.5/PHonon/examples/example15/reference/\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.dm.in\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.dm.out\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.ph.in\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.ph.out\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.scf.in\nq-e-qe-7.5/PHonon/examples/example15/reference/co2.scf.out\nq-e-qe-7.5/PHonon/examples/example15/reference/dmat.co2\nq-e-qe-7.5/PHonon/examples/example15/reference/dmat.zno\nq-e-qe-7.5/PHonon/examples/example15/reference/dynmat.axsf\nq-e-qe-7.5/PHonon/examples/example15/reference/dynmat.mold\nq-e-qe-7.5/PHonon/examples/example15/reference/dynmat.out\nq-e-qe-7.5/PHonon/examples/example15/reference/plot_command_co2.cmd\nq-e-qe-7.5/PHonon/examples/example15/reference/plot_command_zno.cmd\nq-e-qe-7.5/PHonon/examples/example15/reference/plotdata_co2.dat\nq-e-qe-7.5/PHonon/examples/example15/reference/plotdata_zno.dat\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.dm.in\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.dm.out\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.ph.in\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.ph.out\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.scf.in\nq-e-qe-7.5/PHonon/examples/example15/reference/zno.scf.out\nq-e-qe-7.5/PHonon/examples/example15/run_example\nq-e-qe-7.5/PHonon/examples/example16/\nq-e-qe-7.5/PHonon/examples/example16/README\nq-e-qe-7.5/PHonon/examples/example16/reference/\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.phG.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.phK.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.rvv10.phG.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.rvv10.phK.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.rvv10.scf.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.scf.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df.phG.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df.phK.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df.scf.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df2.phG.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df2.phK.out\nq-e-qe-7.5/PHonon/examples/example16/reference/graphite.vdw-df2.scf.out\nq-e-qe-7.5/PHonon/examples/example16/run_example\nq-e-qe-7.5/PHonon/examples/example17/\nq-e-qe-7.5/PHonon/examples/example17/README\nq-e-qe-7.5/PHonon/examples/example17/reference/\nq-e-qe-7.5/PHonon/examples/example17/reference/al.dispersions.ps\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn0\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn1\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn10\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn2\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn3\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn4\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn5\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn6\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn7\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn8\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.disp.dyn9\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.freq\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.freq.gp\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.ph.disp.in\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.ph.disp.out\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.scf.in\nq-e-qe-7.5/PHonon/examples/example17/reference/bn.scf.out\nq-e-qe-7.5/PHonon/examples/example17/reference/bn881.fc\nq-e-qe-7.5/PHonon/examples/example17/reference/freq.disp.plot\nq-e-qe-7.5/PHonon/examples/example17/reference/freq.disp.ps\nq-e-qe-7.5/PHonon/examples/example17/reference/matdyn.in\nq-e-qe-7.5/PHonon/examples/example17/reference/matdyn.modes\nq-e-qe-7.5/PHonon/examples/example17/reference/matdyn.out\nq-e-qe-7.5/PHonon/examples/example17/reference/plotband.in\nq-e-qe-7.5/PHonon/examples/example17/reference/q2r.in\nq-e-qe-7.5/PHonon/examples/example17/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/example17/run_example\nq-e-qe-7.5/PHonon/examples/example18/\nq-e-qe-7.5/PHonon/examples/example18/README\nq-e-qe-7.5/PHonon/examples/example18/reference/\nq-e-qe-7.5/PHonon/examples/example18/reference/LiCoO2.dynG\nq-e-qe-7.5/PHonon/examples/example18/reference/LiCoO2.dynq\nq-e-qe-7.5/PHonon/examples/example18/reference/LiCoO2.phG.in\nq-e-qe-7.5/PHonon/examples/example18/reference/LiCoO2.phq.in\nq-e-qe-7.5/PHonon/examples/example18/reference/LiCoO2.scf.in\nq-e-qe-7.5/PHonon/examples/example18/run_example\nq-e-qe-7.5/PHonon/examples/example19/\nq-e-qe-7.5/PHonon/examples/example19/README\nq-e-qe-7.5/PHonon/examples/example19/reference/\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ahc.coarse.in\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ahc.coarse.out\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ahc.fine.in\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ahc.fine.out\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.dyn0\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.dyn1\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.dyn2\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.dyn3\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.dyn4\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ifc\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.modes_coarse\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.modes_fine\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.nscf.in\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.nscf.out\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ph.in\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.ph.out\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.scf.in\nq-e-qe-7.5/PHonon/examples/example19/reference/diam.scf.out\nq-e-qe-7.5/PHonon/examples/example19/reference/dvscfq2r.in\nq-e-qe-7.5/PHonon/examples/example19/reference/dvscfq2r.out\nq-e-qe-7.5/PHonon/examples/example19/reference/matdyn.coarse.in\nq-e-qe-7.5/PHonon/examples/example19/reference/matdyn.coarse.out\nq-e-qe-7.5/PHonon/examples/example19/reference/matdyn.fine.in\nq-e-qe-7.5/PHonon/examples/example19/reference/matdyn.fine.out\nq-e-qe-7.5/PHonon/examples/example19/reference/postahc.coarse.in\nq-e-qe-7.5/PHonon/examples/example19/reference/postahc.coarse.out\nq-e-qe-7.5/PHonon/examples/example19/reference/postahc.fine.in\nq-e-qe-7.5/PHonon/examples/example19/reference/postahc.fine.out\nq-e-qe-7.5/PHonon/examples/example19/reference/q2r.in\nq-e-qe-7.5/PHonon/examples/example19/reference/q2r.out\nq-e-qe-7.5/PHonon/examples/example19/reference/selfen_coarse_imag.dat\nq-e-qe-7.5/PHonon/examples/example19/reference/selfen_coarse_real.dat\nq-e-qe-7.5/PHonon/examples/example19/reference/selfen_fine_imag.dat\nq-e-qe-7.5/PHonon/examples/example19/reference/selfen_fine_real.dat\nq-e-qe-7.5/PHonon/examples/example19/run_example\nq-e-qe-7.5/PHonon/examples/run_all_examples\nq-e-qe-7.5/PHonon/examples/tetra_example/\nq-e-qe-7.5/PHonon/examples/tetra_example/README\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.a2F.out\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn0\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn1\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn1.elph.1\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn10\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn10.elph.10\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn2\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn2.elph.2\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn3\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn3.elph.3\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn4\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn4.elph.4\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn5\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn5.elph.5\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn6\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn6.elph.6\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn7\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn7.elph.7\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn8\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn8.elph.8\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn9\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.dyn9.elph.9\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.elph.in\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.elph.out\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.ph.in\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.ph.out\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.scf.in\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/al.scf.out\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/aluminum.McMillan.gp\nq-e-qe-7.5/PHonon/examples/tetra_example/reference/aluminum.a2F.dat\nq-e-qe-7.5/PHonon/examples/tetra_example/run_example\nq-e-qe-7.5/PIOUD/\nq-e-qe-7.5/PIOUD/CMakeLists.txt\nq-e-qe-7.5/PIOUD/Makefile\nq-e-qe-7.5/PIOUD/examples/\nq-e-qe-7.5/PIOUD/examples/clean_all\nq-e-qe-7.5/PIOUD/examples/test_example_diamond/\nq-e-qe-7.5/PIOUD/examples/test_example_diamond/run_example\nq-e-qe-7.5/PIOUD/examples/test_example_diamond/script_sub\nq-e-qe-7.5/PIOUD/src/\nq-e-qe-7.5/PIOUD/src/Makefile\nq-e-qe-7.5/PIOUD/src/compute_scf_pioud.f90\nq-e-qe-7.5/PIOUD/src/engine_to_trpmd_nat_alat.f90\nq-e-qe-7.5/PIOUD/src/engine_to_trpmd_pos.f90\nq-e-qe-7.5/PIOUD/src/fcp_opt_routines.f90\nq-e-qe-7.5/PIOUD/src/fcp_variables.f90\nq-e-qe-7.5/PIOUD/src/make.depend\nq-e-qe-7.5/PIOUD/src/makedeps.sh\nq-e-qe-7.5/PIOUD/src/pimd_subrout.f90\nq-e-qe-7.5/PIOUD/src/pimd_utils.f90\nq-e-qe-7.5/PIOUD/src/pimd_variables.f90\nq-e-qe-7.5/PIOUD/src/pioud.f90\nq-e-qe-7.5/PIOUD/src/pw_gen_inputs.f90\nq-e-qe-7.5/PIOUD/src/ring_formats.f90\nq-e-qe-7.5/PIOUD/src/ring_input_parameters_module.f90\nq-e-qe-7.5/PIOUD/src/ring_io_units_module.f90\nq-e-qe-7.5/PIOUD/src/ring_variables.f90\nq-e-qe-7.5/PIOUD/src/set_defaults.f90\nq-e-qe-7.5/PIOUD/src/stop_run_path.f90\nq-e-qe-7.5/PIOUD/src/trpmd_base.f90\nq-e-qe-7.5/PIOUD/src/trpmd_io_routines.f90\nq-e-qe-7.5/PP/\nq-e-qe-7.5/PP/CMakeLists.txt\nq-e-qe-7.5/PP/Doc/\nq-e-qe-7.5/PP/Doc/INPUT_BANDS.def\nq-e-qe-7.5/PP/Doc/INPUT_BANDS.txt\nq-e-qe-7.5/PP/Doc/INPUT_BANDS.xml\nq-e-qe-7.5/PP/Doc/INPUT_BAND_INTERPOLATION.def\nq-e-qe-7.5/PP/Doc/INPUT_BAND_INTERPOLATION.txt\nq-e-qe-7.5/PP/Doc/INPUT_D3HESS.def\nq-e-qe-7.5/PP/Doc/INPUT_D3HESS.txt\nq-e-qe-7.5/PP/Doc/INPUT_DOS.def\nq-e-qe-7.5/PP/Doc/INPUT_DOS.txt\nq-e-qe-7.5/PP/Doc/INPUT_DOS.xml\nq-e-qe-7.5/PP/Doc/INPUT_OSCDFT_ET.def\nq-e-qe-7.5/PP/Doc/INPUT_OSCDFT_ET.txt\nq-e-qe-7.5/PP/Doc/INPUT_OSCDFT_PP.def\nq-e-qe-7.5/PP/Doc/INPUT_OSCDFT_PP.txt\nq-e-qe-7.5/PP/Doc/INPUT_PP.def\nq-e-qe-7.5/PP/Doc/INPUT_PP.txt\nq-e-qe-7.5/PP/Doc/INPUT_PPACF.def\nq-e-qe-7.5/PP/Doc/INPUT_PPACF.txt\nq-e-qe-7.5/PP/Doc/INPUT_PPRISM.def\nq-e-qe-7.5/PP/Doc/INPUT_PPRISM.txt\nq-e-qe-7.5/PP/Doc/INPUT_PROJWFC.def\nq-e-qe-7.5/PP/Doc/INPUT_PROJWFC.txt\nq-e-qe-7.5/PP/Doc/INPUT_bgw2pw.def\nq-e-qe-7.5/PP/Doc/INPUT_bgw2pw.txt\nq-e-qe-7.5/PP/Doc/INPUT_molecularpdos.def\nq-e-qe-7.5/PP/Doc/INPUT_molecularpdos.txt\nq-e-qe-7.5/PP/Doc/INPUT_molecularpdos.xml\nq-e-qe-7.5/PP/Doc/INPUT_pw2bgw.def\nq-e-qe-7.5/PP/Doc/INPUT_pw2bgw.txt\nq-e-qe-7.5/PP/Doc/INPUT_pw2gw.def\nq-e-qe-7.5/PP/Doc/INPUT_pw2gw.txt\nq-e-qe-7.5/PP/Doc/INPUT_pw2wannier90.def\nq-e-qe-7.5/PP/Doc/INPUT_pw2wannier90.txt\nq-e-qe-7.5/PP/Doc/INPUT_wannier2pw.def\nq-e-qe-7.5/PP/Doc/Makefile\nq-e-qe-7.5/PP/Doc/eps_man.tex\nq-e-qe-7.5/PP/Doc/user_guide.tex\nq-e-qe-7.5/PP/Makefile\nq-e-qe-7.5/PP/examples/\nq-e-qe-7.5/PP/examples/ACF_example/\nq-e-qe-7.5/PP/examples/ACF_example/README\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/atoms.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/atoms.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_fock.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_fock.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_plot.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_plot.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_scale.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_pbe/ppacf_scale.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/atoms.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/atoms.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/atoms_ppacf.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_fock.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_fock.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_plot.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_plot.out\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_scale.in\nq-e-qe-7.5/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_scale.out\nq-e-qe-7.5/PP/examples/ACF_example/run_example\nq-e-qe-7.5/PP/examples/BGW_example/\nq-e-qe-7.5/PP/examples/BGW_example/README\nq-e-qe-7.5/PP/examples/BGW_example/references/\nq-e-qe-7.5/PP/examples/BGW_example/references/si.pw2bgw.in\nq-e-qe-7.5/PP/examples/BGW_example/references/si.pw2bgw.out\nq-e-qe-7.5/PP/examples/BGW_example/references/si.scf.in\nq-e-qe-7.5/PP/examples/BGW_example/references/si.scf.out\nq-e-qe-7.5/PP/examples/BGW_example/references/vxc.dat\nq-e-qe-7.5/PP/examples/BGW_example/references/vxc0.dat\nq-e-qe-7.5/PP/examples/BGW_example/run_example\nq-e-qe-7.5/PP/examples/CLS_FS_example/\nq-e-qe-7.5/PP/examples/CLS_FS_example/README\nq-e-qe-7.5/PP/examples/CLS_FS_example/reference/\nq-e-qe-7.5/PP/examples/CLS_FS_example/reference/final-state.txt\nq-e-qe-7.5/PP/examples/CLS_FS_example/reference/rh011bulk.scf.out\nq-e-qe-7.5/PP/examples/CLS_FS_example/reference/rh011layer1.scf.out\nq-e-qe-7.5/PP/examples/CLS_FS_example/reference/rh011surf.scf.out\nq-e-qe-7.5/PP/examples/CLS_FS_example/run_example\nq-e-qe-7.5/PP/examples/CLS_IS_example/\nq-e-qe-7.5/PP/examples/CLS_IS_example/README\nq-e-qe-7.5/PP/examples/CLS_IS_example/reference/\nq-e-qe-7.5/PP/examples/CLS_IS_example/reference/initial-state.txt\nq-e-qe-7.5/PP/examples/CLS_IS_example/reference/rh011slab.istate.out\nq-e-qe-7.5/PP/examples/CLS_IS_example/reference/rh011slab.scf.out\nq-e-qe-7.5/PP/examples/CLS_IS_example/run_example\nq-e-qe-7.5/PP/examples/ForceTheorem_example/\nq-e-qe-7.5/PP/examples/ForceTheorem_example/README\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/eband_par.dat\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/eband_per.dat\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/par.out\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/per.out\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/proj_par.out\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/proj_per.out\nq-e-qe-7.5/PP/examples/ForceTheorem_example/reference/sr.out\nq-e-qe-7.5/PP/examples/ForceTheorem_example/run_example\nq-e-qe-7.5/PP/examples/MolDos_example/\nq-e-qe-7.5/PP/examples/MolDos_example/README\nq-e-qe-7.5/PP/examples/MolDos_example/reference/\nq-e-qe-7.5/PP/examples/MolDos_example/reference/H2.bands.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/H2.k.projwfc.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/H2.projwfc.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/H2.scf.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2.bands.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2.k.projwfc.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2.projwfc.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2.scf.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2_onto_H2.k.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/chainH2_onto_H2.out\nq-e-qe-7.5/PP/examples/MolDos_example/reference/gnuplot.tmp\nq-e-qe-7.5/PP/examples/MolDos_example/reference/project_chainH2_onto_H2.ps\nq-e-qe-7.5/PP/examples/MolDos_example/run_example\nq-e-qe-7.5/PP/examples/README\nq-e-qe-7.5/PP/examples/W90_open_grid_example/\nq-e-qe-7.5/PP/examples/W90_open_grid_example/README\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.lib.win\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.openg.sa.in\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.openg.sa.out\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.lib.in\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.sa.in\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.sa.out\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.sa.eig\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.sa.nnkp\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.sa.win\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.sa.wout\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.scf.in\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/diamond.scf.out\nq-e-qe-7.5/PP/examples/W90_open_grid_example/reference/k_points.txt\nq-e-qe-7.5/PP/examples/W90_open_grid_example/run_example\nq-e-qe-7.5/PP/examples/WAN90_example/\nq-e-qe-7.5/PP/examples/WAN90_example/README\nq-e-qe-7.5/PP/examples/WAN90_example/reference/\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.lib.win\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.lib.wout\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.nscf.out\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.pw2wan.lib.out\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.pw2wan.sa.out\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.sa.eig\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.sa.nnkp\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.sa.win\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.sa.wout\nq-e-qe-7.5/PP/examples/WAN90_example/reference/diamond.scf.out\nq-e-qe-7.5/PP/examples/WAN90_example/run_example\nq-e-qe-7.5/PP/examples/WannierHam_example/\nq-e-qe-7.5/PP/examples/WannierHam_example/README\nq-e-qe-7.5/PP/examples/WannierHam_example/reference/\nq-e-qe-7.5/PP/examples/WannierHam_example/reference/NiO.nscf.out\nq-e-qe-7.5/PP/examples/WannierHam_example/reference/NiO.scf.out\nq-e-qe-7.5/PP/examples/WannierHam_example/reference/hamilt.gz\nq-e-qe-7.5/PP/examples/WannierHam_example/reference/wannier_hamilt.out\nq-e-qe-7.5/PP/examples/WannierHam_example/run_example\nq-e-qe-7.5/PP/examples/WorkFct_example/\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.avg.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.avg.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.pp.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al.bulkref.pp.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.avg.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.avg.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.pot\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.pp.in\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.pp.out\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.wf.data\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Al100.wf.eps\nq-e-qe-7.5/PP/examples/WorkFct_example/reference/Albulkrefpot\nq-e-qe-7.5/PP/examples/WorkFct_example/run_example\nq-e-qe-7.5/PP/examples/clean_all\nq-e-qe-7.5/PP/examples/dipole_example/\nq-e-qe-7.5/PP/examples/dipole_example/README\nq-e-qe-7.5/PP/examples/dipole_example/reference/\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.avg.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.eps\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.pp.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.pp.out\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.scf.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.scf.out\nq-e-qe-7.5/PP/examples/dipole_example/reference/ni+co.vpot-z\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.avg.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.eps\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.pp.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.pp.out\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.scf.in\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.scf.out\nq-e-qe-7.5/PP/examples/dipole_example/reference/water.vpot-z\nq-e-qe-7.5/PP/examples/dipole_example/run_example\nq-e-qe-7.5/PP/examples/example01/\nq-e-qe-7.5/PP/examples/example01/README\nq-e-qe-7.5/PP/examples/example01/reference/\nq-e-qe-7.5/PP/examples/example01/reference/si.band.out\nq-e-qe-7.5/PP/examples/example01/reference/si.bands.out\nq-e-qe-7.5/PP/examples/example01/reference/si.plotband.out\nq-e-qe-7.5/PP/examples/example01/reference/si.plotrho.out\nq-e-qe-7.5/PP/examples/example01/reference/si.pp_rho.out\nq-e-qe-7.5/PP/examples/example01/reference/si.rho.dat\nq-e-qe-7.5/PP/examples/example01/reference/si.rho.ps\nq-e-qe-7.5/PP/examples/example01/reference/si.scf.out\nq-e-qe-7.5/PP/examples/example01/reference/sibands.dat\nq-e-qe-7.5/PP/examples/example01/reference/sibands.dat.rap\nq-e-qe-7.5/PP/examples/example01/reference/sibands.ps\nq-e-qe-7.5/PP/examples/example01/reference/sicharge\nq-e-qe-7.5/PP/examples/example01/run_example\nq-e-qe-7.5/PP/examples/example02/\nq-e-qe-7.5/PP/examples/example02/README\nq-e-qe-7.5/PP/examples/example02/reference/\nq-e-qe-7.5/PP/examples/example02/reference/FS.in\nq-e-qe-7.5/PP/examples/example02/reference/FS.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.dos\nq-e-qe-7.5/PP/examples/example02/reference/ni.dos.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.dos.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.dos2.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.dos2.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.fs_NSP.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.fs_NSP.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.fs_SP.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.fs_SP.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.pdos.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.pdos.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.pdos_atm#1(Ni)_wfc#1(s)\nq-e-qe-7.5/PP/examples/example02/reference/ni.pdos_atm#1(Ni)_wfc#2(d)\nq-e-qe-7.5/PP/examples/example02/reference/ni.pdos_tot\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf0.NSP.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf0.SP.out\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf_NSP.in\nq-e-qe-7.5/PP/examples/example02/reference/ni.scf_SP.in\nq-e-qe-7.5/PP/examples/example02/reference/ni_fs.bxsf\nq-e-qe-7.5/PP/examples/example02/reference/ni_fsdw.bxsf\nq-e-qe-7.5/PP/examples/example02/reference/ni_fsup.bxsf\nq-e-qe-7.5/PP/examples/example02/run_example\nq-e-qe-7.5/PP/examples/example03/\nq-e-qe-7.5/PP/examples/example03/README\nq-e-qe-7.5/PP/examples/example03/reference/\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110+1.0eV.ps\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110-1.0eV.ps\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110.box.projwfc.out\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110.box.projwfc.ps\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110.ldos_boxes\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110.pp_stm+.out\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110.pp_stm-.out\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110re.nonscf.out\nq-e-qe-7.5/PP/examples/example03/reference/AlAs110re.scf.out\nq-e-qe-7.5/PP/examples/example03/run_example\nq-e-qe-7.5/PP/examples/example04/\nq-e-qe-7.5/PP/examples/example04/README\nq-e-qe-7.5/PP/examples/example04/reference/\nq-e-qe-7.5/PP/examples/example04/reference/pt.bands.out\nq-e-qe-7.5/PP/examples/example04/reference/pt.nscf.out\nq-e-qe-7.5/PP/examples/example04/reference/pt.pdos.out\nq-e-qe-7.5/PP/examples/example04/reference/pt.scf.out\nq-e-qe-7.5/PP/examples/example04/run_example\nq-e-qe-7.5/PP/examples/example05/\nq-e-qe-7.5/PP/examples/example05/README\nq-e-qe-7.5/PP/examples/example05/reference/\nq-e-qe-7.5/PP/examples/example05/reference/feo_LDA.in\nq-e-qe-7.5/PP/examples/example05/reference/feo_wannier.in\nq-e-qe-7.5/PP/examples/example05/reference/pmw.in\nq-e-qe-7.5/PP/examples/example05/run_example\nq-e-qe-7.5/PP/examples/example06/\nq-e-qe-7.5/PP/examples/example06/README\nq-e-qe-7.5/PP/examples/example06/reference/\nq-e-qe-7.5/PP/examples/example06/reference/Fe.band_pbe.out\nq-e-qe-7.5/PP/examples/example06/reference/Fe.bands.out\nq-e-qe-7.5/PP/examples/example06/reference/Fe.scf_pbe.out\nq-e-qe-7.5/PP/examples/example06/reference/fe.bands.ps\nq-e-qe-7.5/PP/examples/example06/reference/plotband.out\nq-e-qe-7.5/PP/examples/example06/run_example\nq-e-qe-7.5/PP/examples/example07/\nq-e-qe-7.5/PP/examples/example07/README\nq-e-qe-7.5/PP/examples/example07/reference1/\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.nscf.in\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.pw2wan.in\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.scf-wan.in\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.scf.in\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.wan2pw.in\nq-e-qe-7.5/PP/examples/example07/reference1/TiO2.win\nq-e-qe-7.5/PP/examples/example07/reference2/\nq-e-qe-7.5/PP/examples/example07/reference2/MnO.nscf.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO.scf-wan.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO.scf.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_down.pw2wan.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_down.wan2pw.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_down.win\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_up.pw2wan.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_up.wan2pw.in\nq-e-qe-7.5/PP/examples/example07/reference2/MnO_up.win\nq-e-qe-7.5/PP/examples/example07/run_example1\nq-e-qe-7.5/PP/examples/example07/run_example2\nq-e-qe-7.5/PP/examples/example08/\nq-e-qe-7.5/PP/examples/example08/README\nq-e-qe-7.5/PP/examples/example08/reference/\nq-e-qe-7.5/PP/examples/example08/reference/TiO2.pp.in\nq-e-qe-7.5/PP/examples/example08/reference/TiO2.scf.in\nq-e-qe-7.5/PP/examples/example08/run_example\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/README\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/filexml.tar.gz\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier-diff.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier-diff.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/log.pbe0.scf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/out.fourier-diff.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/out.fourier.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe0_fourier/pbe0.scf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/filexml.tar.gz\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier-diff.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier-diff.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/log.pbe.scf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/out.fourier-diff.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/out.fourier.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_fourier/pbe.scf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/filexml.tar.gz\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/idw-sphere.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/idw-sphere.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/idw.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/idw.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/log.pbe.scf.nosym.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/out.idw-sphere.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/out.idw.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_idw/pbe.scf.nosym.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/filexml.tar.gz\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.bands.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.nscf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.pp.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.scf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat.gnu\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat.rap\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.nscf.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.pp.in\nq-e-qe-7.5/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.scf.in\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/README\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/bands.dat\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.bands.in\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.bands.out\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.plotband.in\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.plotband.out\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.scf.in\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/si.scf.out\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/sibands-p.dat\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/sibands.dat\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/reference/sibands.dat.gnu\nq-e-qe-7.5/PP/examples/exx_scf_bands_example/run_example\nq-e-qe-7.5/PP/examples/fermisurf_example/\nq-e-qe-7.5/PP/examples/fermisurf_example/README\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/FS_b2pz.out\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/FS_vf.out\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/b2pz.frmsf\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#1(Mg)_wfc#1(s)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#1(Mg)_wfc#2(p)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#2(B)_wfc#1(s)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#2(B)_wfc#2(p)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#3(B)_wfc#1(s)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#3(B)_wfc#2(p)\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.pdos_tot\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.proj.in\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.proj.out\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.scf.in\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/mgb2.scf.out\nq-e-qe-7.5/PP/examples/fermisurf_example/reference/vfermi.frmsf\nq-e-qe-7.5/PP/examples/fermisurf_example/run_example\nq-e-qe-7.5/PP/examples/projected_bands_example/\nq-e-qe-7.5/PP/examples/projected_bands_example/README\nq-e-qe-7.5/PP/examples/projected_bands_example/projwfc_to_bands.awk\nq-e-qe-7.5/PP/examples/projected_bands_example/reference/\nq-e-qe-7.5/PP/examples/projected_bands_example/reference/ni.kpdos_dw.png\nq-e-qe-7.5/PP/examples/projected_bands_example/reference/ni.kpdos_up.png\nq-e-qe-7.5/PP/examples/projected_bands_example/reference/pt.s-bands.png\nq-e-qe-7.5/PP/examples/projected_bands_example/reference/silicene.projbands.png\nq-e-qe-7.5/PP/examples/projected_bands_example/run_example\nq-e-qe-7.5/PP/examples/pw2gw_example/\nq-e-qe-7.5/PP/examples/pw2gw_example/README\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/bn.nscf.out.xz\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/bn.pw2gw.out.xz\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/bn.scf.out\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/epsTOT.dat\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/epsX.dat\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/epsY.dat\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/epsZ.dat\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/k.dat\nq-e-qe-7.5/PP/examples/pw2gw_example/reference/matrixelements.xz\nq-e-qe-7.5/PP/examples/pw2gw_example/run_example\nq-e-qe-7.5/PP/examples/run_all_examples\nq-e-qe-7.5/PP/simple_transport/\nq-e-qe-7.5/PP/simple_transport/README\nq-e-qe-7.5/PP/simple_transport/examples/\nq-e-qe-7.5/PP/simple_transport/examples/eg_ef/\nq-e-qe-7.5/PP/simple_transport/examples/eg_ef/out.32\nq-e-qe-7.5/PP/simple_transport/examples/eg_ef/run_ef\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/README\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/reference/\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/reference/Def_0.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/reference/Se_0.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/reference/sig_0.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_0/run_0\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/README\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/dop_vs_ef\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+18.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+19.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+20.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+21.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+18.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+19.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+20.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+21.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+18\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+19\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+20\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+21\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+18.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+19.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+20.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+21.out\nq-e-qe-7.5/PP/simple_transport/examples/eg_fermi_int_1/run_1\nq-e-qe-7.5/PP/simple_transport/examples/scf/\nq-e-qe-7.5/PP/simple_transport/examples/scf/As.pbe-n-kjpaw_psl.0.2.upf\nq-e-qe-7.5/PP/simple_transport/examples/scf/Ga.pbe-dn-kjpaw_psl.0.2.upf\nq-e-qe-7.5/PP/simple_transport/examples/scf/info-q\nq-e-qe-7.5/PP/simple_transport/examples/scf/reference/\nq-e-qe-7.5/PP/simple_transport/examples/scf/reference/GaAs.32.a2Fsave\nq-e-qe-7.5/PP/simple_transport/examples/scf/reference/GaAs.scf.out\nq-e-qe-7.5/PP/simple_transport/examples/scf/run_GaAs_scf\nq-e-qe-7.5/PP/simple_transport/src/\nq-e-qe-7.5/PP/simple_transport/src/Makefile\nq-e-qe-7.5/PP/simple_transport/src/cryst_to_car.f90\nq-e-qe-7.5/PP/simple_transport/src/dos.f90\nq-e-qe-7.5/PP/simple_transport/src/ef.f90\nq-e-qe-7.5/PP/simple_transport/src/fermi_int_0.f90\nq-e-qe-7.5/PP/simple_transport/src/fermi_int_1.f90\nq-e-qe-7.5/PP/simple_transport/src/lint.f90\nq-e-qe-7.5/PP/simple_transport/src/reducegrid.f90\nq-e-qe-7.5/PP/simple_transport/src/smearing_mod.f90\nq-e-qe-7.5/PP/simple_transport/src/vband_ibz.f90\nq-e-qe-7.5/PP/src/\nq-e-qe-7.5/PP/src/Makefile\nq-e-qe-7.5/PP/src/add_shift_cc.f90\nq-e-qe-7.5/PP/src/add_shift_lc.f90\nq-e-qe-7.5/PP/src/add_shift_us.f90\nq-e-qe-7.5/PP/src/adduscore.f90\nq-e-qe-7.5/PP/src/addusdens1d.f90\nq-e-qe-7.5/PP/src/average.f90\nq-e-qe-7.5/PP/src/band_interpolation.f90\nq-e-qe-7.5/PP/src/bands.f90\nq-e-qe-7.5/PP/src/bgw2pw.f90.orig\nq-e-qe-7.5/PP/src/chdens_bspline.f90\nq-e-qe-7.5/PP/src/chdens_bspline_sphere.f90\nq-e-qe-7.5/PP/src/chdens_module.f90\nq-e-qe-7.5/PP/src/compute_ppsi.f90\nq-e-qe-7.5/PP/src/compute_sigma_avg.f90\nq-e-qe-7.5/PP/src/cube.f90\nq-e-qe-7.5/PP/src/d3hess.f90\nq-e-qe-7.5/PP/src/d_matrix_nc.f90\nq-e-qe-7.5/PP/src/d_matrix_so.f90\nq-e-qe-7.5/PP/src/do_initial_state.f90\nq-e-qe-7.5/PP/src/do_shift_ew.f90\nq-e-qe-7.5/PP/src/dos.f90\nq-e-qe-7.5/PP/src/dosg.f90\nq-e-qe-7.5/PP/src/elf.f90\nq-e-qe-7.5/PP/src/epsilon.f90\nq-e-qe-7.5/PP/src/fermi_proj.f90\nq-e-qe-7.5/PP/src/fermi_velocity.f90\nq-e-qe-7.5/PP/src/fermisurface.f90\nq-e-qe-7.5/PP/src/fermisurfer_common.f90\nq-e-qe-7.5/PP/src/fft_interpolation_mod.f90\nq-e-qe-7.5/PP/src/fouriermod.f90\nq-e-qe-7.5/PP/src/ggen1d.f90\nq-e-qe-7.5/PP/src/globalmod.f90\nq-e-qe-7.5/PP/src/hubbard_projectors.f90\nq-e-qe-7.5/PP/src/idwmod.f90\nq-e-qe-7.5/PP/src/initial_state.f90\nq-e-qe-7.5/PP/src/lebedev.f90\nq-e-qe-7.5/PP/src/local_dos.f90\nq-e-qe-7.5/PP/src/local_dos1d.f90\nq-e-qe-7.5/PP/src/local_dos_mag.f90\nq-e-qe-7.5/PP/src/molecularpdos.f90\nq-e-qe-7.5/PP/src/open_grid.f90\nq-e-qe-7.5/PP/src/openfil_pp.f90\nq-e-qe-7.5/PP/src/oscdft_et.f90\nq-e-qe-7.5/PP/src/oscdft_et_mod.f90\nq-e-qe-7.5/PP/src/oscdft_pp.f90\nq-e-qe-7.5/PP/src/oscdft_pp_mod.f90\nq-e-qe-7.5/PP/src/partialdos.f90\nq-e-qe-7.5/PP/src/paw_postproc.f90\nq-e-qe-7.5/PP/src/pawplot.f90\nq-e-qe-7.5/PP/src/plan_avg.f90\nq-e-qe-7.5/PP/src/plotband.f90\nq-e-qe-7.5/PP/src/plotproj.f90\nq-e-qe-7.5/PP/src/plotrho.f90\nq-e-qe-7.5/PP/src/poormanwannier.f90\nq-e-qe-7.5/PP/src/postproc.f90\nq-e-qe-7.5/PP/src/postrism.f90\nq-e-qe-7.5/PP/src/pp_example.f90\nq-e-qe-7.5/PP/src/ppacf.f90\nq-e-qe-7.5/PP/src/projections_mod.f90\nq-e-qe-7.5/PP/src/projwfc.f90\nq-e-qe-7.5/PP/src/projwfc_box.f90\nq-e-qe-7.5/PP/src/punch_plot.f90\nq-e-qe-7.5/PP/src/punch_rism.f90\nq-e-qe-7.5/PP/src/pw2bgw.f90\nq-e-qe-7.5/PP/src/pw2critic.f90\nq-e-qe-7.5/PP/src/pw2gt.f90\nq-e-qe-7.5/PP/src/pw2gw.f90\nq-e-qe-7.5/PP/src/pw2wannier90.f90\nq-e-qe-7.5/PP/src/read_proj.f90\nq-e-qe-7.5/PP/src/smallgk.f90\nq-e-qe-7.5/PP/src/solvdens.f90\nq-e-qe-7.5/PP/src/stm.f90\nq-e-qe-7.5/PP/src/stop_pp.f90\nq-e-qe-7.5/PP/src/sum_band_kin.f90\nq-e-qe-7.5/PP/src/sumpdos.f90\nq-e-qe-7.5/PP/src/sym_band.f90\nq-e-qe-7.5/PP/src/vasp_read_chgcar_mod.f90\nq-e-qe-7.5/PP/src/vasp_xml_module.f90\nq-e-qe-7.5/PP/src/wannier2pw.f90\nq-e-qe-7.5/PP/src/wannier_enrg.f90\nq-e-qe-7.5/PP/src/wannier_ham.f90\nq-e-qe-7.5/PP/src/wannier_mod.f90\nq-e-qe-7.5/PP/src/wannier_plot.f90\nq-e-qe-7.5/PP/src/wannier_proj.f90\nq-e-qe-7.5/PP/src/wfck2r.f90\nq-e-qe-7.5/PP/src/work_function.f90\nq-e-qe-7.5/PP/src/write_hamiltonians.f90\nq-e-qe-7.5/PP/src/write_io_header.f90\nq-e-qe-7.5/PP/src/write_p_avg.f90\nq-e-qe-7.5/PP/src/write_proj.f90\nq-e-qe-7.5/PP/src/xc_vdW_scale_mod.f90\nq-e-qe-7.5/PP/tools/\nq-e-qe-7.5/PP/tools/sum_states.py\nq-e-qe-7.5/PW/\nq-e-qe-7.5/PW/CMakeLists.txt\nq-e-qe-7.5/PW/Doc/\nq-e-qe-7.5/PW/Doc/INPUT_OSCDFT.def\nq-e-qe-7.5/PW/Doc/INPUT_PW.def\nq-e-qe-7.5/PW/Doc/Makefile\nq-e-qe-7.5/PW/Doc/user_guide.tex\nq-e-qe-7.5/PW/Ford.md\nq-e-qe-7.5/PW/Ford/\nq-e-qe-7.5/PW/Ford/index.md\nq-e-qe-7.5/PW/Makefile\nq-e-qe-7.5/PW/examples/\nq-e-qe-7.5/PW/examples/ESM_example/\nq-e-qe-7.5/PW/examples/ESM_example/README\nq-e-qe-7.5/PW/examples/ESM_example/reference/\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc1.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc1.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc1.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_efield.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_efield.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc2_efield.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_m002.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_m002.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_m002.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_p002.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_p002.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_bc3_p002.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_pbc.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_pbc.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/Al001_pbc.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_bc1.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_bc1.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_bc1.xml\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_pbc.esm1\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_pbc.out\nq-e-qe-7.5/PW/examples/ESM_example/reference/H2O_pbc.xml\nq-e-qe-7.5/PW/examples/ESM_example/run_example\nq-e-qe-7.5/PW/examples/ESM_example/run_example_ESM\nq-e-qe-7.5/PW/examples/ESM_example/run_example_FCP\nq-e-qe-7.5/PW/examples/ESM_example/run_example_GCSCF\nq-e-qe-7.5/PW/examples/EXX_example/\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/CPBE085nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/CPBE1nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/NPBE085nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/NPBE1nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/OPBE085nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/Pseudo/OPBE1nlcc.RRKJ3\nq-e-qe-7.5/PW/examples/EXX_example/README\nq-e-qe-7.5/PW/examples/EXX_example/README.gaupbe\nq-e-qe-7.5/PW/examples/EXX_example/reference/\nq-e-qe-7.5/PW/examples/EXX_example/reference/c.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/c.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/c.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/co.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/co.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/co.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n2.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n2.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/n2.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o2.gaupbe.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o2.hse.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/o2.pbe0.1nlcc.out-80\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.PBE0_nq=1.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.PBE0_nq=2.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.PBE0_nq=4.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.gaupbe_nq=1.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.gaupbe_nq=2.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.gaupbe_nq=4.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.hse_nq=1.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.hse_nq=2.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/si.hse_nq=4.out\nq-e-qe-7.5/PW/examples/EXX_example/reference/summarize\nq-e-qe-7.5/PW/examples/EXX_example/run_example\nq-e-qe-7.5/PW/examples/Extffield_example/\nq-e-qe-7.5/PW/examples/Extffield_example/README\nq-e-qe-7.5/PW/examples/Extffield_example/reference/\nq-e-qe-7.5/PW/examples/Extffield_example/reference/SiH4.extffield\nq-e-qe-7.5/PW/examples/Extffield_example/reference/SiH4.inp\nq-e-qe-7.5/PW/examples/Extffield_example/reference/SiH4.out\nq-e-qe-7.5/PW/examples/Extffield_example/reference/extffield.dat\nq-e-qe-7.5/PW/examples/Extffield_example/run_example\nq-e-qe-7.5/PW/examples/README\nq-e-qe-7.5/PW/examples/RISM_example/\nq-e-qe-7.5/PW/examples/RISM_example/MOL/\nq-e-qe-7.5/PW/examples/RISM_example/MOL/Cl-.aq.MOL\nq-e-qe-7.5/PW/examples/RISM_example/MOL/Ethanol.oplsua.MOL\nq-e-qe-7.5/PW/examples/RISM_example/MOL/H2O.spc.MOL\nq-e-qe-7.5/PW/examples/RISM_example/MOL/Na+.aq.MOL\nq-e-qe-7.5/PW/examples/RISM_example/README\nq-e-qe-7.5/PW/examples/RISM_example/reference/\nq-e-qe-7.5/PW/examples/RISM_example/reference/Al-NaCl_aq.1drism\nq-e-qe-7.5/PW/examples/RISM_example/reference/Al-NaCl_aq.esm1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Al-NaCl_aq.out\nq-e-qe-7.5/PW/examples/RISM_example/reference/Al-NaCl_aq.rism1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Al-NaCl_aq.xml\nq-e-qe-7.5/PW/examples/RISM_example/reference/Cl-_NaCl_aq.1drism\nq-e-qe-7.5/PW/examples/RISM_example/reference/Cl-_NaCl_aq.esm1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Cl-_NaCl_aq.out\nq-e-qe-7.5/PW/examples/RISM_example/reference/Cl-_NaCl_aq.rism1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Cl-_NaCl_aq.xml\nq-e-qe-7.5/PW/examples/RISM_example/reference/H2O.NaCl_aq.1drism\nq-e-qe-7.5/PW/examples/RISM_example/reference/H2O.NaCl_aq.out\nq-e-qe-7.5/PW/examples/RISM_example/reference/H2O.NaCl_aq.xml\nq-e-qe-7.5/PW/examples/RISM_example/reference/HCHO.aq.1drism\nq-e-qe-7.5/PW/examples/RISM_example/reference/HCHO.aq.out\nq-e-qe-7.5/PW/examples/RISM_example/reference/HCHO.aq.xml\nq-e-qe-7.5/PW/examples/RISM_example/reference/Li-EtOH.1drism\nq-e-qe-7.5/PW/examples/RISM_example/reference/Li-EtOH.esm1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Li-EtOH.out\nq-e-qe-7.5/PW/examples/RISM_example/reference/Li-EtOH.rism1\nq-e-qe-7.5/PW/examples/RISM_example/reference/Li-EtOH.xml\nq-e-qe-7.5/PW/examples/RISM_example/run_example\nq-e-qe-7.5/PW/examples/RISM_example/run_example_3D-RISM\nq-e-qe-7.5/PW/examples/RISM_example/run_example_ESM-RISM\nq-e-qe-7.5/PW/examples/VCSexample/\nq-e-qe-7.5/PW/examples/VCSexample/README\nq-e-qe-7.5/PW/examples/VCSexample/reference/\nq-e-qe-7.5/PW/examples/VCSexample/reference/As.bfgs00.out\nq-e-qe-7.5/PW/examples/VCSexample/reference/As.bfgs500.out\nq-e-qe-7.5/PW/examples/VCSexample/reference/As.vcs00.out\nq-e-qe-7.5/PW/examples/VCSexample/reference/As.vcs500.out\nq-e-qe-7.5/PW/examples/VCSexample/run_example\nq-e-qe-7.5/PW/examples/clean_all\nq-e-qe-7.5/PW/examples/cluster_example/\nq-e-qe-7.5/PW/examples/cluster_example/README\nq-e-qe-7.5/PW/examples/cluster_example/reference/\nq-e-qe-7.5/PW/examples/cluster_example/reference/h2o.eigenvalues\nq-e-qe-7.5/PW/examples/cluster_example/reference/h2o.out-12\nq-e-qe-7.5/PW/examples/cluster_example/reference/h2o.out-16\nq-e-qe-7.5/PW/examples/cluster_example/reference/h2o.out-20\nq-e-qe-7.5/PW/examples/cluster_example/reference/h2o.out-24\nq-e-qe-7.5/PW/examples/cluster_example/reference/n.eigenvalues\nq-e-qe-7.5/PW/examples/cluster_example/reference/n.out-12\nq-e-qe-7.5/PW/examples/cluster_example/reference/n.out-16\nq-e-qe-7.5/PW/examples/cluster_example/reference/n.out-20\nq-e-qe-7.5/PW/examples/cluster_example/reference/n.out-24\nq-e-qe-7.5/PW/examples/cluster_example/reference/nh4+.eigenvalues\nq-e-qe-7.5/PW/examples/cluster_example/reference/nh4+.out-12\nq-e-qe-7.5/PW/examples/cluster_example/reference/nh4+.out-16\nq-e-qe-7.5/PW/examples/cluster_example/reference/nh4+.out-20\nq-e-qe-7.5/PW/examples/cluster_example/reference/nh4+.out-24\nq-e-qe-7.5/PW/examples/cluster_example/run_example\nq-e-qe-7.5/PW/examples/dftd3_example/\nq-e-qe-7.5/PW/examples/dftd3_example/reference/\nq-e-qe-7.5/PW/examples/dftd3_example/reference/graphite_d2.in\nq-e-qe-7.5/PW/examples/dftd3_example/reference/graphite_d2.out\nq-e-qe-7.5/PW/examples/dftd3_example/reference/graphite_d3.in\nq-e-qe-7.5/PW/examples/dftd3_example/reference/graphite_d3.out\nq-e-qe-7.5/PW/examples/dftd3_example/run_example\nq-e-qe-7.5/PW/examples/example01/\nq-e-qe-7.5/PW/examples/example01/README\nq-e-qe-7.5/PW/examples/example01/reference/\nq-e-qe-7.5/PW/examples/example01/reference/al.band.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/al.band.david.out\nq-e-qe-7.5/PW/examples/example01/reference/al.scf.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/al.scf.david.out\nq-e-qe-7.5/PW/examples/example01/reference/cu.band.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/cu.band.david.out\nq-e-qe-7.5/PW/examples/example01/reference/cu.scf.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/cu.scf.david.out\nq-e-qe-7.5/PW/examples/example01/reference/ni.band.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/ni.band.david.out\nq-e-qe-7.5/PW/examples/example01/reference/ni.scf.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/ni.scf.david.out\nq-e-qe-7.5/PW/examples/example01/reference/si.band.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/si.band.david.out\nq-e-qe-7.5/PW/examples/example01/reference/si.scf.cg.out\nq-e-qe-7.5/PW/examples/example01/reference/si.scf.david.out\nq-e-qe-7.5/PW/examples/example01/run_example\nq-e-qe-7.5/PW/examples/example02/\nq-e-qe-7.5/PW/examples/example02/README\nq-e-qe-7.5/PW/examples/example02/reference/\nq-e-qe-7.5/PW/examples/example02/reference/al001.mm.out\nq-e-qe-7.5/PW/examples/example02/reference/al001.rx.out\nq-e-qe-7.5/PW/examples/example02/reference/co.rx.out\nq-e-qe-7.5/PW/examples/example02/run_example\nq-e-qe-7.5/PW/examples/example03/\nq-e-qe-7.5/PW/examples/example03/README\nq-e-qe-7.5/PW/examples/example03/reference/\nq-e-qe-7.5/PW/examples/example03/reference/si.md2.out\nq-e-qe-7.5/PW/examples/example03/reference/si.md2_G3X.out\nq-e-qe-7.5/PW/examples/example03/reference/si.md8.out\nq-e-qe-7.5/PW/examples/example03/run_example\nq-e-qe-7.5/PW/examples/example04/\nq-e-qe-7.5/PW/examples/example04/README\nq-e-qe-7.5/PW/examples/example04/reference/\nq-e-qe-7.5/PW/examples/example04/reference/BP.out\nq-e-qe-7.5/PW/examples/example04/reference/chg.out\nq-e-qe-7.5/PW/examples/example04/run_example\nq-e-qe-7.5/PW/examples/example05/\nq-e-qe-7.5/PW/examples/example05/README\nq-e-qe-7.5/PW/examples/example05/reference/\nq-e-qe-7.5/PW/examples/example05/reference/Ni_gamma_d8s2.out\nq-e-qe-7.5/PW/examples/example05/reference/Ni_gamma_d9s1.out\nq-e-qe-7.5/PW/examples/example05/reference/O.out\nq-e-qe-7.5/PW/examples/example05/reference/O_gamma.out\nq-e-qe-7.5/PW/examples/example05/reference/al.out\nq-e-qe-7.5/PW/examples/example05/run_example\nq-e-qe-7.5/PW/examples/example06/\nq-e-qe-7.5/PW/examples/example06/README\nq-e-qe-7.5/PW/examples/example06/reference/\nq-e-qe-7.5/PW/examples/example06/reference/cu.band.out\nq-e-qe-7.5/PW/examples/example06/reference/cu.cg.out\nq-e-qe-7.5/PW/examples/example06/reference/cu.scf.out\nq-e-qe-7.5/PW/examples/example06/reference/fe.angl.out\nq-e-qe-7.5/PW/examples/example06/reference/fe.band.out\nq-e-qe-7.5/PW/examples/example06/reference/fe.pen.out\nq-e-qe-7.5/PW/examples/example06/reference/fe.scf.out\nq-e-qe-7.5/PW/examples/example06/reference/fe.total.out\nq-e-qe-7.5/PW/examples/example06/reference/ni.band.out\nq-e-qe-7.5/PW/examples/example06/reference/ni.scf.out\nq-e-qe-7.5/PW/examples/example06/reference/o2.relax.out\nq-e-qe-7.5/PW/examples/example06/run_example\nq-e-qe-7.5/PW/examples/example07/\nq-e-qe-7.5/PW/examples/example07/README\nq-e-qe-7.5/PW/examples/example07/reference/\nq-e-qe-7.5/PW/examples/example07/reference/bands.pt.re\nq-e-qe-7.5/PW/examples/example07/reference/pt.nscf.out\nq-e-qe-7.5/PW/examples/example07/reference/pt.scf.out\nq-e-qe-7.5/PW/examples/example07/run_example\nq-e-qe-7.5/PW/examples/example08/\nq-e-qe-7.5/PW/examples/example08/README\nq-e-qe-7.5/PW/examples/example08/reference/\nq-e-qe-7.5/PW/examples/example08/reference/feo_LDA.in\nq-e-qe-7.5/PW/examples/example08/reference/feo_standard.in\nq-e-qe-7.5/PW/examples/example08/reference/feo_user_ns.in\nq-e-qe-7.5/PW/examples/example08/run_example\nq-e-qe-7.5/PW/examples/example09/\nq-e-qe-7.5/PW/examples/example09/README\nq-e-qe-7.5/PW/examples/example09/reference/\nq-e-qe-7.5/PW/examples/example09/reference/c4h6.pw.metaGGA.out\nq-e-qe-7.5/PW/examples/example09/run_example\nq-e-qe-7.5/PW/examples/example10/\nq-e-qe-7.5/PW/examples/example10/README\nq-e-qe-7.5/PW/examples/example10/reference/\nq-e-qe-7.5/PW/examples/example10/reference/alas.scf.efield.out\nq-e-qe-7.5/PW/examples/example10/reference/alas.scf.efield2.out\nq-e-qe-7.5/PW/examples/example10/reference/si.scf.efield.out\nq-e-qe-7.5/PW/examples/example10/reference/si.scf.efield2.out\nq-e-qe-7.5/PW/examples/example10/run_example\nq-e-qe-7.5/PW/examples/example11/\nq-e-qe-7.5/PW/examples/example11/README\nq-e-qe-7.5/PW/examples/example11/reference/\nq-e-qe-7.5/PW/examples/example11/reference/Fe.band_pbe.out\nq-e-qe-7.5/PW/examples/example11/reference/Fe.scf_pbe.out\nq-e-qe-7.5/PW/examples/example11/run_example\nq-e-qe-7.5/PW/examples/example12/\nq-e-qe-7.5/PW/examples/example12/README\nq-e-qe-7.5/PW/examples/example12/reference/\nq-e-qe-7.5/PW/examples/example12/reference/Fe.bands.in\nq-e-qe-7.5/PW/examples/example12/reference/Fe.bands.out\nq-e-qe-7.5/PW/examples/example12/reference/Fe.scf.in\nq-e-qe-7.5/PW/examples/example12/reference/Fe.scf.out\nq-e-qe-7.5/PW/examples/example12/run_example\nq-e-qe-7.5/PW/examples/example13/\nq-e-qe-7.5/PW/examples/example13/reference/\nq-e-qe-7.5/PW/examples/example13/reference/LiCoO2.scf.in\nq-e-qe-7.5/PW/examples/example13/reference/LiCoO2.scf.out\nq-e-qe-7.5/PW/examples/example13/run_example\nq-e-qe-7.5/PW/examples/example14/\nq-e-qe-7.5/PW/examples/example14/README\nq-e-qe-7.5/PW/examples/example14/reference/\nq-e-qe-7.5/PW/examples/example14/reference/srvo3.dmft_scf.out\nq-e-qe-7.5/PW/examples/example14/reference/srvo3.nscf.out\nq-e-qe-7.5/PW/examples/example14/reference/srvo3.scf.out\nq-e-qe-7.5/PW/examples/example14/run_example\nq-e-qe-7.5/PW/examples/example14/srvo3_dmft.h5\nq-e-qe-7.5/PW/examples/example15/\nq-e-qe-7.5/PW/examples/example15/README\nq-e-qe-7.5/PW/examples/example15/reference1/\nq-e-qe-7.5/PW/examples/example15/reference1/FeO.scf.in\nq-e-qe-7.5/PW/examples/example15/reference1/oscdft.in\nq-e-qe-7.5/PW/examples/example15/reference2/\nq-e-qe-7.5/PW/examples/example15/reference2/FeO.scf.in\nq-e-qe-7.5/PW/examples/example15/reference2/oscdft.in\nq-e-qe-7.5/PW/examples/example15/run1\nq-e-qe-7.5/PW/examples/example15/run2\nq-e-qe-7.5/PW/examples/example16/\nq-e-qe-7.5/PW/examples/example16/README\nq-e-qe-7.5/PW/examples/example16/reference/\nq-e-qe-7.5/PW/examples/example16/reference/LiCoO2.scf.1.in\nq-e-qe-7.5/PW/examples/example16/reference/LiCoO2.scf.2.in\nq-e-qe-7.5/PW/examples/example16/run_example\nq-e-qe-7.5/PW/examples/example17/\nq-e-qe-7.5/PW/examples/example17/README\nq-e-qe-7.5/PW/examples/example17/reference/\nq-e-qe-7.5/PW/examples/example17/reference/LiCoO2.scf.in\nq-e-qe-7.5/PW/examples/example17/run_example\nq-e-qe-7.5/PW/examples/gammaDFT_example/\nq-e-qe-7.5/PW/examples/gammaDFT_example/README\nq-e-qe-7.5/PW/examples/gammaDFT_example/reference/\nq-e-qe-7.5/PW/examples/gammaDFT_example/reference/MgO_1.in\nq-e-qe-7.5/PW/examples/gammaDFT_example/reference/MgO_2.in\nq-e-qe-7.5/PW/examples/gammaDFT_example/reference/MgO_3.in\nq-e-qe-7.5/PW/examples/gammaDFT_example/run_example\nq-e-qe-7.5/PW/examples/gatefield/\nq-e-qe-7.5/PW/examples/gatefield/reference/\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10.bands.in\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10.bands.out\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10.in\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10.out\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10_nobarrier.bands.in\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10_nobarrier.bands.out\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10_nobarrier.in\nq-e-qe-7.5/PW/examples/gatefield/reference/single_+0.10_nobarrier.out\nq-e-qe-7.5/PW/examples/gatefield/reference/single_-0.10.in\nq-e-qe-7.5/PW/examples/gatefield/reference/single_-0.10.out\nq-e-qe-7.5/PW/examples/gatefield/run_example\nq-e-qe-7.5/PW/examples/run_all_examples\nq-e-qe-7.5/PW/examples/vdwDF_example/\nq-e-qe-7.5/PW/examples/vdwDF_example/README\nq-e-qe-7.5/PW/examples/vdwDF_example/reference/\nq-e-qe-7.5/PW/examples/vdwDF_example/reference/Ar.scf.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference/graphite.scf.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference/water.scf.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/graphite.scf.+1.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/graphite.scf.-1.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/graphite.scf.0.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/water.scf.+1.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/water.scf.-1.out\nq-e-qe-7.5/PW/examples/vdwDF_example/reference_dscf/water.scf.0.out\nq-e-qe-7.5/PW/examples/vdwDF_example/run_example\nq-e-qe-7.5/PW/examples/vdwDF_example/run_example_delta_scf\nq-e-qe-7.5/PW/src/\nq-e-qe-7.5/PW/src/Coul_cut_2D.f90\nq-e-qe-7.5/PW/src/Makefile\nq-e-qe-7.5/PW/src/a2fmod.f90\nq-e-qe-7.5/PW/src/acfdt_in_pw.f90\nq-e-qe-7.5/PW/src/add_bfield.f90\nq-e-qe-7.5/PW/src/add_dmft_occ.f90\nq-e-qe-7.5/PW/src/add_efield.f90\nq-e-qe-7.5/PW/src/add_gatefield.f90\nq-e-qe-7.5/PW/src/add_paw_to_deeq.f90\nq-e-qe-7.5/PW/src/add_paw_to_deeq_acc.f90\nq-e-qe-7.5/PW/src/add_qexsd_step.f90\nq-e-qe-7.5/PW/src/add_vhub_to_deeq.f90\nq-e-qe-7.5/PW/src/add_vhub_to_deeq_acc.f90\nq-e-qe-7.5/PW/src/add_vuspsi.f90\nq-e-qe-7.5/PW/src/add_vuspsi_acc.f90\nq-e-qe-7.5/PW/src/addusdens.f90\nq-e-qe-7.5/PW/src/addusforce.f90\nq-e-qe-7.5/PW/src/addusstress.f90\nq-e-qe-7.5/PW/src/allocate_fft.f90\nq-e-qe-7.5/PW/src/allocate_locpot.f90\nq-e-qe-7.5/PW/src/allocate_wfc.f90\nq-e-qe-7.5/PW/src/atomic_rho.f90\nq-e-qe-7.5/PW/src/atomic_wfc.f90\nq-e-qe-7.5/PW/src/atomic_wfc_mod.f90\nq-e-qe-7.5/PW/src/average_pp.f90\nq-e-qe-7.5/PW/src/beef.f90\nq-e-qe-7.5/PW/src/bp_c_phase.f90\nq-e-qe-7.5/PW/src/bp_mod.f90\nq-e-qe-7.5/PW/src/bp_strings.f90\nq-e-qe-7.5/PW/src/buffers.f90\nq-e-qe-7.5/PW/src/c_bands.f90\nq-e-qe-7.5/PW/src/c_phase_field.f90\nq-e-qe-7.5/PW/src/cdiagh.f90\nq-e-qe-7.5/PW/src/clean_pw.f90\nq-e-qe-7.5/PW/src/close_files.f90\nq-e-qe-7.5/PW/src/commutator_Hx_psi.f90\nq-e-qe-7.5/PW/src/commutator_Vhubx_psi.f90\nq-e-qe-7.5/PW/src/compute_becsum.f90\nq-e-qe-7.5/PW/src/compute_deff.f90\nq-e-qe-7.5/PW/src/compute_dip.f90\nq-e-qe-7.5/PW/src/compute_qdipol.f90\nq-e-qe-7.5/PW/src/compute_qdipol_so.f90\nq-e-qe-7.5/PW/src/compute_rho.f90\nq-e-qe-7.5/PW/src/compute_ux.f90\nq-e-qe-7.5/PW/src/coset.f90\nq-e-qe-7.5/PW/src/d3hess_mod.f90\nq-e-qe-7.5/PW/src/d_matrix.f90\nq-e-qe-7.5/PW/src/data_structure.f90\nq-e-qe-7.5/PW/src/divide_class.f90\nq-e-qe-7.5/PW/src/divide_class_so.f90\nq-e-qe-7.5/PW/src/divide_et_impera.f90\nq-e-qe-7.5/PW/src/dynamics_module.f90\nq-e-qe-7.5/PW/src/efermig.f90\nq-e-qe-7.5/PW/src/efermit.f90\nq-e-qe-7.5/PW/src/electrons.f90\nq-e-qe-7.5/PW/src/environ_io_stub.f90\nq-e-qe-7.5/PW/src/environ_pw_module.f90\nq-e-qe-7.5/PW/src/eqvect.f90\nq-e-qe-7.5/PW/src/esm.f90\nq-e-qe-7.5/PW/src/esm_common_mod.f90\nq-e-qe-7.5/PW/src/esm_ewald_mod.f90\nq-e-qe-7.5/PW/src/esm_force_mod.f90\nq-e-qe-7.5/PW/src/esm_hartree_mod.f90\nq-e-qe-7.5/PW/src/esm_local_mod.f90\nq-e-qe-7.5/PW/src/esm_stres_mod.f90\nq-e-qe-7.5/PW/src/ewald.f90\nq-e-qe-7.5/PW/src/ewald_dipole.f90\nq-e-qe-7.5/PW/src/extfield.f90\nq-e-qe-7.5/PW/src/exx.f90\nq-e-qe-7.5/PW/src/exx_band.f90\nq-e-qe-7.5/PW/src/exx_base.f90\nq-e-qe-7.5/PW/src/fcp_capacitance.f90\nq-e-qe-7.5/PW/src/fcp_dyn_calcavg.f90\nq-e-qe-7.5/PW/src/fcp_dyn_printavg.f90\nq-e-qe-7.5/PW/src/fcp_dynamics.f90\nq-e-qe-7.5/PW/src/fcp_hessian.f90\nq-e-qe-7.5/PW/src/fcp_input.f90\nq-e-qe-7.5/PW/src/fcp_module.f90\nq-e-qe-7.5/PW/src/fcp_relaxation.f90\nq-e-qe-7.5/PW/src/find_group.f90\nq-e-qe-7.5/PW/src/force_cc.f90\nq-e-qe-7.5/PW/src/force_corr.f90\nq-e-qe-7.5/PW/src/force_ew.f90\nq-e-qe-7.5/PW/src/force_hub.f90\nq-e-qe-7.5/PW/src/force_lc.f90\nq-e-qe-7.5/PW/src/force_us.f90\nq-e-qe-7.5/PW/src/forces.f90\nq-e-qe-7.5/PW/src/forces_bp_efield.f90\nq-e-qe-7.5/PW/src/g2_kin.f90\nq-e-qe-7.5/PW/src/g_psi.f90\nq-e-qe-7.5/PW/src/g_psi_mod.f90\nq-e-qe-7.5/PW/src/gcscf_input.f90\nq-e-qe-7.5/PW/src/gcscf_module.f90\nq-e-qe-7.5/PW/src/gen_at_dj.f90\nq-e-qe-7.5/PW/src/gen_at_dy.f90\nq-e-qe-7.5/PW/src/get_locals.f90\nq-e-qe-7.5/PW/src/gk_sort.f90\nq-e-qe-7.5/PW/src/gradcorr.f90\nq-e-qe-7.5/PW/src/gweights.f90\nq-e-qe-7.5/PW/src/h_epsi_her_apply.f90\nq-e-qe-7.5/PW/src/h_epsi_her_set.f90\nq-e-qe-7.5/PW/src/h_psi.f90\nq-e-qe-7.5/PW/src/h_psi_gpu.f90\nq-e-qe-7.5/PW/src/h_psi_meta.f90\nq-e-qe-7.5/PW/src/hinit0.f90\nq-e-qe-7.5/PW/src/hinit1.f90\nq-e-qe-7.5/PW/src/hs_1psi.f90\nq-e-qe-7.5/PW/src/hs_1psi_gpu.f90\nq-e-qe-7.5/PW/src/hs_psi.f90\nq-e-qe-7.5/PW/src/hs_psi_gpu.f90\nq-e-qe-7.5/PW/src/hubbard.f90\nq-e-qe-7.5/PW/src/init_ns.f90\nq-e-qe-7.5/PW/src/init_nsg.f90\nq-e-qe-7.5/PW/src/init_q_aeps.f90\nq-e-qe-7.5/PW/src/init_run.f90\nq-e-qe-7.5/PW/src/init_us_2.f90\nq-e-qe-7.5/PW/src/init_vloc.f90\nq-e-qe-7.5/PW/src/input.f90\nq-e-qe-7.5/PW/src/intersite_V.f90\nq-e-qe-7.5/PW/src/io_rho_xml.f90\nq-e-qe-7.5/PW/src/irrek.f90\nq-e-qe-7.5/PW/src/iweights.f90\nq-e-qe-7.5/PW/src/kpoint_grid.f90\nq-e-qe-7.5/PW/src/lchk_tauxk.f90\nq-e-qe-7.5/PW/src/ldaU.f90\nq-e-qe-7.5/PW/src/loc_scdm.f90\nq-e-qe-7.5/PW/src/loc_scdm_k.f90\nq-e-qe-7.5/PW/src/make_pointlists.f90\nq-e-qe-7.5/PW/src/manypw.f90\nq-e-qe-7.5/PW/src/martyna_tuckerman.f90\nq-e-qe-7.5/PW/src/memory_report.f90\nq-e-qe-7.5/PW/src/mix_rho.f90\nq-e-qe-7.5/PW/src/move_ions.f90\nq-e-qe-7.5/PW/src/multable.f90\nq-e-qe-7.5/PW/src/n_plane_waves.f90\nq-e-qe-7.5/PW/src/new_ns.f90\nq-e-qe-7.5/PW/src/new_nsb.f90\nq-e-qe-7.5/PW/src/new_nsg.f90\nq-e-qe-7.5/PW/src/new_occ.f90\nq-e-qe-7.5/PW/src/newd_acc.f90\nq-e-qe-7.5/PW/src/non_scf.f90\nq-e-qe-7.5/PW/src/ns_adj.f90\nq-e-qe-7.5/PW/src/nsg_adj.f90\nq-e-qe-7.5/PW/src/offset_atom_wfc.f90\nq-e-qe-7.5/PW/src/openfil.f90\nq-e-qe-7.5/PW/src/orbm_kubo.f90\nq-e-qe-7.5/PW/src/orthoUwfc.f90\nq-e-qe-7.5/PW/src/ortho_wfc.f90\nq-e-qe-7.5/PW/src/orthoatwfc.f90\nq-e-qe-7.5/PW/src/oscdft_base.f90\nq-e-qe-7.5/PW/src/oscdft_context.f90\nq-e-qe-7.5/PW/src/oscdft_enums.f90\nq-e-qe-7.5/PW/src/oscdft_extended.f90\nq-e-qe-7.5/PW/src/oscdft_forces.f90\nq-e-qe-7.5/PW/src/oscdft_forces_subs.f90\nq-e-qe-7.5/PW/src/oscdft_functions.f90\nq-e-qe-7.5/PW/src/oscdft_functions_gpu.f90\nq-e-qe-7.5/PW/src/oscdft_indices.f90\nq-e-qe-7.5/PW/src/oscdft_input.f90\nq-e-qe-7.5/PW/src/oscdft_occupations.f90\nq-e-qe-7.5/PW/src/oscdft_wavefunction.f90\nq-e-qe-7.5/PW/src/oscdft_wavefunction_subs.f90\nq-e-qe-7.5/PW/src/oscdft_wfcO.f90\nq-e-qe-7.5/PW/src/output_tau.f90\nq-e-qe-7.5/PW/src/para.f90\nq-e-qe-7.5/PW/src/paw_exx.f90\nq-e-qe-7.5/PW/src/paw_init.f90\nq-e-qe-7.5/PW/src/paw_onecenter.f90\nq-e-qe-7.5/PW/src/paw_symmetry.f90\nq-e-qe-7.5/PW/src/plugin_check.f90\nq-e-qe-7.5/PW/src/plugin_clean.f90\nq-e-qe-7.5/PW/src/plugin_clock.f90\nq-e-qe-7.5/PW/src/plugin_ext_forces.f90\nq-e-qe-7.5/PW/src/plugin_init_cell.f90\nq-e-qe-7.5/PW/src/plugin_init_ions.f90\nq-e-qe-7.5/PW/src/plugin_init_potential.f90\nq-e-qe-7.5/PW/src/plugin_initbase.f90\nq-e-qe-7.5/PW/src/plugin_initialization.f90\nq-e-qe-7.5/PW/src/plugin_int_forces.f90\nq-e-qe-7.5/PW/src/plugin_print_energies.f90\nq-e-qe-7.5/PW/src/plugin_read_input.f90\nq-e-qe-7.5/PW/src/plugin_scf_energy.f90\nq-e-qe-7.5/PW/src/plugin_scf_potential.f90\nq-e-qe-7.5/PW/src/plugin_summary.f90\nq-e-qe-7.5/PW/src/plus_u_full.f90\nq-e-qe-7.5/PW/src/potinit.f90\nq-e-qe-7.5/PW/src/print_clock_pw.f90\nq-e-qe-7.5/PW/src/print_ks_energies.f90\nq-e-qe-7.5/PW/src/punch.f90\nq-e-qe-7.5/PW/src/pw2blip.f90\nq-e-qe-7.5/PW/src/pw2casino.f90\nq-e-qe-7.5/PW/src/pw2casino_write.f90\nq-e-qe-7.5/PW/src/pw_init_qexsd_input.f90\nq-e-qe-7.5/PW/src/pw_restart_new.f90\nq-e-qe-7.5/PW/src/pwcom.f90\nq-e-qe-7.5/PW/src/pwscf.f90\nq-e-qe-7.5/PW/src/rdiagh.f90\nq-e-qe-7.5/PW/src/read_conf_from_file.f90\nq-e-qe-7.5/PW/src/read_file_new.f90\nq-e-qe-7.5/PW/src/realus.f90\nq-e-qe-7.5/PW/src/remove_atomic_rho.f90\nq-e-qe-7.5/PW/src/report_mag.f90\nq-e-qe-7.5/PW/src/restart_in_electrons.f90\nq-e-qe-7.5/PW/src/rho2zeta.f90\nq-e-qe-7.5/PW/src/rism_module.f90\nq-e-qe-7.5/PW/src/rotate_wfc.f90\nq-e-qe-7.5/PW/src/rotate_wfc_gpu.f90\nq-e-qe-7.5/PW/src/run_driver.f90\nq-e-qe-7.5/PW/src/run_pwscf.f90\nq-e-qe-7.5/PW/src/ruotaijk.f90\nq-e-qe-7.5/PW/src/s_1psi.f90\nq-e-qe-7.5/PW/src/s_1psi_gpu.f90\nq-e-qe-7.5/PW/src/s_psi.f90\nq-e-qe-7.5/PW/src/s_psi_acc.f90\nq-e-qe-7.5/PW/src/save_in_cbands.f90\nq-e-qe-7.5/PW/src/save_in_electrons.f90\nq-e-qe-7.5/PW/src/scale_h.f90\nq-e-qe-7.5/PW/src/scf_mod.f90\nq-e-qe-7.5/PW/src/scissor.f90\nq-e-qe-7.5/PW/src/set_kplusq.f90\nq-e-qe-7.5/PW/src/set_kup_and_kdw.f90\nq-e-qe-7.5/PW/src/set_occupations.f90\nq-e-qe-7.5/PW/src/set_rhoc.f90\nq-e-qe-7.5/PW/src/set_spin_vars.f90\nq-e-qe-7.5/PW/src/set_vrs.f90\nq-e-qe-7.5/PW/src/setlocal.f90\nq-e-qe-7.5/PW/src/setup.f90\nq-e-qe-7.5/PW/src/sic.f90\nq-e-qe-7.5/PW/src/start_k.f90\nq-e-qe-7.5/PW/src/starting_scf_mod.f90\nq-e-qe-7.5/PW/src/stop_run.f90\nq-e-qe-7.5/PW/src/stres_cc.f90\nq-e-qe-7.5/PW/src/stres_ewa.f90\nq-e-qe-7.5/PW/src/stres_gradcorr.f90\nq-e-qe-7.5/PW/src/stres_har.f90\nq-e-qe-7.5/PW/src/stres_hub.f90\nq-e-qe-7.5/PW/src/stres_knl.f90\nq-e-qe-7.5/PW/src/stres_loc.f90\nq-e-qe-7.5/PW/src/stres_mgga.f90\nq-e-qe-7.5/PW/src/stres_nonloc_dft.f90\nq-e-qe-7.5/PW/src/stres_us.f90\nq-e-qe-7.5/PW/src/stress.f90\nq-e-qe-7.5/PW/src/struct_fact.f90\nq-e-qe-7.5/PW/src/sum_band.f90\nq-e-qe-7.5/PW/src/sumkg.f90\nq-e-qe-7.5/PW/src/sumkt.f90\nq-e-qe-7.5/PW/src/summary.f90\nq-e-qe-7.5/PW/src/symm_base.f90\nq-e-qe-7.5/PW/src/symme.f90\nq-e-qe-7.5/PW/src/symmetrize_at.f90\nq-e-qe-7.5/PW/src/tetra.f90\nq-e-qe-7.5/PW/src/transform_becsum_nc.f90\nq-e-qe-7.5/PW/src/transform_becsum_so.f90\nq-e-qe-7.5/PW/src/trnvecc.f90\nq-e-qe-7.5/PW/src/two_chem.f90\nq-e-qe-7.5/PW/src/update_pot.f90\nq-e-qe-7.5/PW/src/us_exx.f90\nq-e-qe-7.5/PW/src/usnldiag.f90\nq-e-qe-7.5/PW/src/utils.f90\nq-e-qe-7.5/PW/src/utils_gpu.f90\nq-e-qe-7.5/PW/src/v_of_rho.f90\nq-e-qe-7.5/PW/src/vcsmd.f90\nq-e-qe-7.5/PW/src/vcsubs.f90\nq-e-qe-7.5/PW/src/vhpsi.f90\nq-e-qe-7.5/PW/src/vhpsi_gpu.f90\nq-e-qe-7.5/PW/src/vloc_psi_acc.f90\nq-e-qe-7.5/PW/src/vloc_psi_tg.f90\nq-e-qe-7.5/PW/src/wannier_check.f90\nq-e-qe-7.5/PW/src/wannier_clean.f90\nq-e-qe-7.5/PW/src/wannier_init.f90\nq-e-qe-7.5/PW/src/wannier_occ.f90\nq-e-qe-7.5/PW/src/weights.f90\nq-e-qe-7.5/PW/src/wfcinit.f90\nq-e-qe-7.5/PW/src/write_ns.f90\nq-e-qe-7.5/PW/src/wsweight.f90\nq-e-qe-7.5/PW/src/xdm_dispersion.f90\nq-e-qe-7.5/PW/tools/\nq-e-qe-7.5/PW/tools/MINpuT.ipynb\nq-e-qe-7.5/PW/tools/MINpuT.py\nq-e-qe-7.5/PW/tools/Makefile\nq-e-qe-7.5/PW/tools/README\nq-e-qe-7.5/PW/tools/README_MINpuT.txt\nq-e-qe-7.5/PW/tools/castep2qe.sh\nq-e-qe-7.5/PW/tools/cell2ibrav.f90\nq-e-qe-7.5/PW/tools/cif2qe.sh\nq-e-qe-7.5/PW/tools/ev.f90\nq-e-qe-7.5/PW/tools/graphene.cif\nq-e-qe-7.5/PW/tools/graphene_hBN.in\nq-e-qe-7.5/PW/tools/hBN.cif\nq-e-qe-7.5/PW/tools/ibrav2cell.f90\nq-e-qe-7.5/PW/tools/kpoints.f90\nq-e-qe-7.5/PW/tools/md_analyzer.sh\nq-e-qe-7.5/PW/tools/pwi2xsf.f90\nq-e-qe-7.5/PW/tools/pwi2xsf.sh\nq-e-qe-7.5/PW/tools/pwo2xsf.sh\nq-e-qe-7.5/PW/tools/qeout2axsf.sh\nq-e-qe-7.5/PW/tools/rism1d.f90\nq-e-qe-7.5/PW/tools/scan_ibrav.f90\nq-e-qe-7.5/PW/tools/system.cif\nq-e-qe-7.5/PW/tools/xsf2pwi.sh\nq-e-qe-7.5/PWCOND/\nq-e-qe-7.5/PWCOND/CMakeLists.txt\nq-e-qe-7.5/PWCOND/Doc/\nq-e-qe-7.5/PWCOND/Doc/INPUT_PWCOND.def\nq-e-qe-7.5/PWCOND/Doc/INPUT_PWCOND.html\nq-e-qe-7.5/PWCOND/Doc/INPUT_PWCOND.txt\nq-e-qe-7.5/PWCOND/Doc/Makefile\nq-e-qe-7.5/PWCOND/Makefile\nq-e-qe-7.5/PWCOND/examples/\nq-e-qe-7.5/PWCOND/examples/clean_all\nq-e-qe-7.5/PWCOND/examples/example01/\nq-e-qe-7.5/PWCOND/examples/example01/README\nq-e-qe-7.5/PWCOND/examples/example01/reference/\nq-e-qe-7.5/PWCOND/examples/example01/reference/AlwireAl.cond.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/AlwireH.cond.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/AlwireH.scf.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/al.cond.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/al.scf.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/alwire.cond.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/alwire.scf.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/alwire1.scf.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.al.co\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.al.im\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.al.re\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.alwire.co\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.alwire.im\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.alwire.re\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.ni_down.co\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.ni_down.im\nq-e-qe-7.5/PWCOND/examples/example01/reference/bands.ni_down.re\nq-e-qe-7.5/PWCOND/examples/example01/reference/ni.cond.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/ni.scf.out\nq-e-qe-7.5/PWCOND/examples/example01/reference/trans.alwire\nq-e-qe-7.5/PWCOND/examples/example01/reference/trans.alwireh\nq-e-qe-7.5/PWCOND/examples/example01/run_example\nq-e-qe-7.5/PWCOND/examples/example02/\nq-e-qe-7.5/PWCOND/examples/example02/README\nq-e-qe-7.5/PWCOND/examples/example02/reference/\nq-e-qe-7.5/PWCOND/examples/example02/reference/pt.cond.out\nq-e-qe-7.5/PWCOND/examples/example02/reference/pt.cond_t.out\nq-e-qe-7.5/PWCOND/examples/example02/reference/pt.tet.out\nq-e-qe-7.5/PWCOND/examples/example02/reference/pt4.out\nq-e-qe-7.5/PWCOND/examples/example02/run_example\nq-e-qe-7.5/PWCOND/examples/example03/\nq-e-qe-7.5/PWCOND/examples/example03/README\nq-e-qe-7.5/PWCOND/examples/example03/reference/\nq-e-qe-7.5/PWCOND/examples/example03/reference/Auwire.cond.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/Auwire.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/Auwire1.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/Auwire1U.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/AuwireU.cond.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/AuwireU.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/COatAuwire.cond.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/COatAuwire.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/COatAuwireU.cond.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/COatAuwireU.scf.out\nq-e-qe-7.5/PWCOND/examples/example03/reference/bands.Auwire.co_im\nq-e-qe-7.5/PWCOND/examples/example03/reference/bands.Auwire.co_re\nq-e-qe-7.5/PWCOND/examples/example03/reference/bands.Auwire.im\nq-e-qe-7.5/PWCOND/examples/example03/reference/bands.Auwire.re\nq-e-qe-7.5/PWCOND/examples/example03/reference/bandsU.Auwire.co_im\nq-e-qe-7.5/PWCOND/examples/example03/reference/bandsU.Auwire.co_re\nq-e-qe-7.5/PWCOND/examples/example03/reference/bandsU.Auwire.im\nq-e-qe-7.5/PWCOND/examples/example03/reference/bandsU.Auwire.re\nq-e-qe-7.5/PWCOND/examples/example03/reference/plot_results.gnu\nq-e-qe-7.5/PWCOND/examples/example03/reference/trans.AuwireCO\nq-e-qe-7.5/PWCOND/examples/example03/reference/transU.AuwireCO\nq-e-qe-7.5/PWCOND/examples/example03/run_example\nq-e-qe-7.5/PWCOND/examples/run_all_examples\nq-e-qe-7.5/PWCOND/src/\nq-e-qe-7.5/PWCOND/src/Makefile\nq-e-qe-7.5/PWCOND/src/allocate_cond.f90\nq-e-qe-7.5/PWCOND/src/bessj.f90\nq-e-qe-7.5/PWCOND/src/compbs.f90\nq-e-qe-7.5/PWCOND/src/compbs_2.f90\nq-e-qe-7.5/PWCOND/src/cond_out.f90\nq-e-qe-7.5/PWCOND/src/cond_restart.f90\nq-e-qe-7.5/PWCOND/src/condcom.f90\nq-e-qe-7.5/PWCOND/src/condmain.f90\nq-e-qe-7.5/PWCOND/src/do_cond.f90\nq-e-qe-7.5/PWCOND/src/eigenchnl.f90\nq-e-qe-7.5/PWCOND/src/form_zk.f90\nq-e-qe-7.5/PWCOND/src/four.f90\nq-e-qe-7.5/PWCOND/src/free_mem.f90\nq-e-qe-7.5/PWCOND/src/gep_x.f90\nq-e-qe-7.5/PWCOND/src/gramsh.f90\nq-e-qe-7.5/PWCOND/src/hev_ab.f90\nq-e-qe-7.5/PWCOND/src/init_cond.f90\nq-e-qe-7.5/PWCOND/src/init_gper.f90\nq-e-qe-7.5/PWCOND/src/init_orbitals.f90\nq-e-qe-7.5/PWCOND/src/integrals.f90\nq-e-qe-7.5/PWCOND/src/jbloch.f90\nq-e-qe-7.5/PWCOND/src/kbloch.f90\nq-e-qe-7.5/PWCOND/src/local.f90\nq-e-qe-7.5/PWCOND/src/local_set.f90\nq-e-qe-7.5/PWCOND/src/openfil_cond.f90\nq-e-qe-7.5/PWCOND/src/plus_u_setup.f90\nq-e-qe-7.5/PWCOND/src/poten.f90\nq-e-qe-7.5/PWCOND/src/print_clock_pwcond.f90\nq-e-qe-7.5/PWCOND/src/realus_scatt.f90\nq-e-qe-7.5/PWCOND/src/rotproc.f90\nq-e-qe-7.5/PWCOND/src/save_cond.f90\nq-e-qe-7.5/PWCOND/src/scat_states_plot.f90\nq-e-qe-7.5/PWCOND/src/scatter_forw.f90\nq-e-qe-7.5/PWCOND/src/summary_band.f90\nq-e-qe-7.5/PWCOND/src/summary_tran.f90\nq-e-qe-7.5/PWCOND/src/sunitary.f90\nq-e-qe-7.5/PWCOND/src/transmit.f90\nq-e-qe-7.5/QEHeat/\nq-e-qe-7.5/QEHeat/CMakeLists.txt\nq-e-qe-7.5/QEHeat/Doc/\nq-e-qe-7.5/QEHeat/Doc/INPUT_ALL_CURRENTS.def\nq-e-qe-7.5/QEHeat/Doc/INPUT_ALL_CURRENTS.html\nq-e-qe-7.5/QEHeat/Doc/INPUT_ALL_CURRENTS.txt\nq-e-qe-7.5/QEHeat/Doc/Makefile\nq-e-qe-7.5/QEHeat/Doc/input_xx.xsl\nq-e-qe-7.5/QEHeat/Makefile\nq-e-qe-7.5/QEHeat/README\nq-e-qe-7.5/QEHeat/examples/\nq-e-qe-7.5/QEHeat/examples/README.md\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/input\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/reference/\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/reference/current_hz\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/reference/current_hz.dat\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/reference/output\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/run_example.sh\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/traj.pos\nq-e-qe-7.5/QEHeat/examples/example_H2O_trajectory/traj.vel\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/input_energycurrent\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/reference/\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/reference/current_hz\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/reference/current_hz.dat\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/reference/output_energycurrent\nq-e-qe-7.5/QEHeat/examples/example_SiO2_single/run_example.sh\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/input_all_currents\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/input_cp\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/current_hz\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/current_hz.dat\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/out_all_currents\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/out_cp\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.0_0\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.cel\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.con\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.eig\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.evp\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.for\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.hrs\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.ncg\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.nos\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.pol\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.pos\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.spr\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.str\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.the\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.vel\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.wfc\nq-e-qe-7.5/QEHeat/examples/example_small_H20_trajectory/run_example_water\nq-e-qe-7.5/QEHeat/examples/pseudo/\nq-e-qe-7.5/QEHeat/examples/pseudo/Ar_ONCV_PBE-1.0.upf\nq-e-qe-7.5/QEHeat/examples/pseudo/H_HSCV_PBE-1.0.upf\nq-e-qe-7.5/QEHeat/examples/pseudo/O_HSCV_PBE-1.0.upf\nq-e-qe-7.5/QEHeat/examples/pseudo/O_ONCV_PBE-1.0.upf\nq-e-qe-7.5/QEHeat/examples/pseudo/Si_ONCV_PBE-1.1.upf\nq-e-qe-7.5/QEHeat/src/\nq-e-qe-7.5/QEHeat/src/Makefile\nq-e-qe-7.5/QEHeat/src/all_currents.f90\nq-e-qe-7.5/QEHeat/src/averages.f90\nq-e-qe-7.5/QEHeat/src/compute_charge.f90\nq-e-qe-7.5/QEHeat/src/cpv_traj.f90\nq-e-qe-7.5/QEHeat/src/cpv_traj_test.f90\nq-e-qe-7.5/QEHeat/src/ec_functionals.f90\nq-e-qe-7.5/QEHeat/src/hartree_xc_mod.f90\nq-e-qe-7.5/QEHeat/src/init_us_3.f90\nq-e-qe-7.5/QEHeat/src/ionic_mod.f90\nq-e-qe-7.5/QEHeat/src/kohn_sham_mod.f90\nq-e-qe-7.5/QEHeat/src/project.f90\nq-e-qe-7.5/QEHeat/src/scf_result.f90\nq-e-qe-7.5/QEHeat/src/test_h_psi_s_psi_commutator_Hx_psi.f90\nq-e-qe-7.5/QEHeat/src/traj_object.f90\nq-e-qe-7.5/QEHeat/src/zero_mod.f90\nq-e-qe-7.5/README.md\nq-e-qe-7.5/README_GPU.md\nq-e-qe-7.5/TDDFPT/\nq-e-qe-7.5/TDDFPT/.dependencies\nq-e-qe-7.5/TDDFPT/CMakeLists.txt\nq-e-qe-7.5/TDDFPT/ColorCalculator/\nq-e-qe-7.5/TDDFPT/ColorCalculator/CIEx\nq-e-qe-7.5/TDDFPT/ColorCalculator/CIEy\nq-e-qe-7.5/TDDFPT/ColorCalculator/CIEz\nq-e-qe-7.5/TDDFPT/ColorCalculator/ColorCalculator5.jar\nq-e-qe-7.5/TDDFPT/ColorCalculator/D65.light\nq-e-qe-7.5/TDDFPT/ColorCalculator/Install\nq-e-qe-7.5/TDDFPT/ColorCalculator/Makefile\nq-e-qe-7.5/TDDFPT/ColorCalculator/README\nq-e-qe-7.5/TDDFPT/ColorCalculator/colorBlue.dat\nq-e-qe-7.5/TDDFPT/ColorCalculator/pelargonin_inter_sort.dat\nq-e-qe-7.5/TDDFPT/ColorCalculator/pelargonin_no_inter.dat\nq-e-qe-7.5/TDDFPT/ColorCalculator/pelargonin_no_inter_no_sort.dat\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/ColorCalculator.java\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/ColorWindow.java\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/GUITools.java\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/Graph.java\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/GraphFactory.java\nq-e-qe-7.5/TDDFPT/ColorCalculator/src/Manifest.txt\nq-e-qe-7.5/TDDFPT/Doc/\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Davidson.def\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Davidson.html\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Davidson.txt\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Davidson.xml\nq-e-qe-7.5/TDDFPT/Doc/INPUT_EELS.def\nq-e-qe-7.5/TDDFPT/Doc/INPUT_EELS.html\nq-e-qe-7.5/TDDFPT/Doc/INPUT_EELS.txt\nq-e-qe-7.5/TDDFPT/Doc/INPUT_EELS.xml\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Lanczos.def\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Lanczos.html\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Lanczos.txt\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Lanczos.xml\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Magnon.def\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Magnon.html\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Magnon.txt\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Spectrum.def\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Spectrum.html\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Spectrum.txt\nq-e-qe-7.5/TDDFPT/Doc/INPUT_Spectrum.xml\nq-e-qe-7.5/TDDFPT/Doc/Makefile\nq-e-qe-7.5/TDDFPT/Makefile\nq-e-qe-7.5/TDDFPT/README\nq-e-qe-7.5/TDDFPT/examples/\nq-e-qe-7.5/TDDFPT/examples/README\nq-e-qe-7.5/TDDFPT/examples/clean_all\nq-e-qe-7.5/TDDFPT/examples/example01/\nq-e-qe-7.5/TDDFPT/examples/example01/reference/\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example01/reference/CH4.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example01/run_example\nq-e-qe-7.5/TDDFPT/examples/example02/\nq-e-qe-7.5/TDDFPT/examples/example02/reference/\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.scf.in\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.scf.out\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example02/reference/C6H6.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example02/run_example\nq-e-qe-7.5/TDDFPT/examples/example03/\nq-e-qe-7.5/TDDFPT/examples/example03/reference/\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.scf.in\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.scf.out\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example03/reference/C6H6.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example03/run_example\nq-e-qe-7.5/TDDFPT/examples/example04/\nq-e-qe-7.5/TDDFPT/examples/example04/reference/\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example04/reference/CH4.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example04/run_example\nq-e-qe-7.5/TDDFPT/examples/example05/\nq-e-qe-7.5/TDDFPT/examples/example05/reference/\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example05/reference/CH4.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example05/run_example\nq-e-qe-7.5/TDDFPT/examples/example06/\nq-e-qe-7.5/TDDFPT/examples/example06/reference/\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt2.in\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt2.out\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example06/reference/CH4.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example06/reference/README\nq-e-qe-7.5/TDDFPT/examples/example06/run_example\nq-e-qe-7.5/TDDFPT/examples/example07/\nq-e-qe-7.5/TDDFPT/examples/example07/reference/\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.plot_S.dat\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example07/reference/CH4.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example07/reference/environ.in\nq-e-qe-7.5/TDDFPT/examples/example07/run_example\nq-e-qe-7.5/TDDFPT/examples/example08/\nq-e-qe-7.5/TDDFPT/examples/example08/reference/\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.eigen\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.plot.dat\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example08/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example08/run_example\nq-e-qe-7.5/TDDFPT/examples/example09/\nq-e-qe-7.5/TDDFPT/examples/example09/reference/\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.eigen\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.plot.dat\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.scf.in\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.scf.out\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example09/reference/C6H6.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example09/run_example\nq-e-qe-7.5/TDDFPT/examples/example10/\nq-e-qe-7.5/TDDFPT/examples/example10/reference/\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.eigen\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.plot.dat\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example10/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example10/run_example\nq-e-qe-7.5/TDDFPT/examples/example11/\nq-e-qe-7.5/TDDFPT/examples/example11/reference/\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.eigen\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.plot.dat\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.scf.in\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.scf.out\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example11/reference/CH4.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example11/reference/environ.in\nq-e-qe-7.5/TDDFPT/examples/example11/run_example\nq-e-qe-7.5/TDDFPT/examples/example12/\nq-e-qe-7.5/TDDFPT/examples/example12/reference/\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.eigen\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.plot.dat\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.pp.in\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.pp.out\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.scf.in\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.scf.out\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example12/reference/H2O.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example12/reference/drho-of-eign-1.cube\nq-e-qe-7.5/TDDFPT/examples/example12/run_example\nq-e-qe-7.5/TDDFPT/examples/example13/\nq-e-qe-7.5/TDDFPT/examples/example13/reference/\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.scf.in\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.scf.out\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example13/reference/Si.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example13/run_example\nq-e-qe-7.5/TDDFPT/examples/example14/\nq-e-qe-7.5/TDDFPT/examples/example14/reference/\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.scf.in\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.scf.out\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example14/reference/Al.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example14/run_example\nq-e-qe-7.5/TDDFPT/examples/example15/\nq-e-qe-7.5/TDDFPT/examples/example15/reference/\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.scf.in\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.scf.out\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example15/reference/Ag.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example15/run_example\nq-e-qe-7.5/TDDFPT/examples/example16/\nq-e-qe-7.5/TDDFPT/examples/example16/reference/\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.scf.in\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.scf.out\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example16/reference/Bi.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example16/run_example\nq-e-qe-7.5/TDDFPT/examples/example17/\nq-e-qe-7.5/TDDFPT/examples/example17/reference/\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.scf.in\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.scf.out\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example17/reference/Bi.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example17/run_example\nq-e-qe-7.5/TDDFPT/examples/example18/\nq-e-qe-7.5/TDDFPT/examples/example18/reference/\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.plot_eps.dat\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.scf.in\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.scf.out\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example18/reference/Al.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example18/run_example\nq-e-qe-7.5/TDDFPT/examples/example19/\nq-e-qe-7.5/TDDFPT/examples/example19/reference/\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.plot_chi.dat\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.scf.in\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.scf.out\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.tddfpt.in\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.tddfpt.out\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.tddfpt_pp.in\nq-e-qe-7.5/TDDFPT/examples/example19/reference/Fe.tddfpt_pp.out\nq-e-qe-7.5/TDDFPT/examples/example19/run_example\nq-e-qe-7.5/TDDFPT/examples/run_all_examples\nq-e-qe-7.5/TDDFPT/src/\nq-e-qe-7.5/TDDFPT/src/Makefile\nq-e-qe-7.5/TDDFPT/src/bcast_lr_input.f90\nq-e-qe-7.5/TDDFPT/src/dveqpsi_us.f90\nq-e-qe-7.5/TDDFPT/src/dveqpsi_us_only.f90\nq-e-qe-7.5/TDDFPT/src/environ_td_module.f90\nq-e-qe-7.5/TDDFPT/src/linear_solvers.f90\nq-e-qe-7.5/TDDFPT/src/lr_Opsi_magnons.f90\nq-e-qe-7.5/TDDFPT/src/lr_addus_dvpsi.f90\nq-e-qe-7.5/TDDFPT/src/lr_alloc_init.f90\nq-e-qe-7.5/TDDFPT/src/lr_apply_liouvillian.f90\nq-e-qe-7.5/TDDFPT/src/lr_apply_liouvillian_eels.f90\nq-e-qe-7.5/TDDFPT/src/lr_apply_liouvillian_magnons.f90\nq-e-qe-7.5/TDDFPT/src/lr_calc_dens.f90\nq-e-qe-7.5/TDDFPT/src/lr_calc_dens_eels.f90\nq-e-qe-7.5/TDDFPT/src/lr_calc_dens_eels_nc.f90\nq-e-qe-7.5/TDDFPT/src/lr_calc_dens_magnons.f90\nq-e-qe-7.5/TDDFPT/src/lr_charg_resp.f90\nq-e-qe-7.5/TDDFPT/src/lr_compute_intq.f90\nq-e-qe-7.5/TDDFPT/src/lr_dav_main.f90\nq-e-qe-7.5/TDDFPT/src/lr_dav_routines.f90\nq-e-qe-7.5/TDDFPT/src/lr_dav_variables.f90\nq-e-qe-7.5/TDDFPT/src/lr_dealloc.f90\nq-e-qe-7.5/TDDFPT/src/lr_dv_setup.f90\nq-e-qe-7.5/TDDFPT/src/lr_dvpsi_e.f90\nq-e-qe-7.5/TDDFPT/src/lr_dvpsi_eels.f90\nq-e-qe-7.5/TDDFPT/src/lr_dvpsi_magnons.f90\nq-e-qe-7.5/TDDFPT/src/lr_eels_main.f90\nq-e-qe-7.5/TDDFPT/src/lr_exx_kernel.f90\nq-e-qe-7.5/TDDFPT/src/lr_init_nfo.f90\nq-e-qe-7.5/TDDFPT/src/lr_lanczos.f90\nq-e-qe-7.5/TDDFPT/src/lr_magnons_main.f90\nq-e-qe-7.5/TDDFPT/src/lr_magnons_routines.f90\nq-e-qe-7.5/TDDFPT/src/lr_main.f90\nq-e-qe-7.5/TDDFPT/src/lr_mix_pot.f90\nq-e-qe-7.5/TDDFPT/src/lr_normalise.f90\nq-e-qe-7.5/TDDFPT/src/lr_ortho.f90\nq-e-qe-7.5/TDDFPT/src/lr_psym_eels.f90\nq-e-qe-7.5/TDDFPT/src/lr_read_d0psi.f90\nq-e-qe-7.5/TDDFPT/src/lr_read_wf.f90\nq-e-qe-7.5/TDDFPT/src/lr_readin.f90\nq-e-qe-7.5/TDDFPT/src/lr_restart.f90\nq-e-qe-7.5/TDDFPT/src/lr_run_nscf.f90\nq-e-qe-7.5/TDDFPT/src/lr_set_boxes_density.f90\nq-e-qe-7.5/TDDFPT/src/lr_set_intq_nc.f90\nq-e-qe-7.5/TDDFPT/src/lr_setup_nscf.f90\nq-e-qe-7.5/TDDFPT/src/lr_smallgq.f90\nq-e-qe-7.5/TDDFPT/src/lr_solve_e.f90\nq-e-qe-7.5/TDDFPT/src/lr_sternheimer.f90\nq-e-qe-7.5/TDDFPT/src/lr_summary.f90\nq-e-qe-7.5/TDDFPT/src/lr_sym_eels.f90\nq-e-qe-7.5/TDDFPT/src/lr_test_restart.f90\nq-e-qe-7.5/TDDFPT/src/lr_transform_intq_nc.f90\nq-e-qe-7.5/TDDFPT/src/lr_transform_intq_so.f90\nq-e-qe-7.5/TDDFPT/src/lr_us.f90\nq-e-qe-7.5/TDDFPT/src/lr_variables.f90\nq-e-qe-7.5/TDDFPT/src/lr_write_restart.f90\nq-e-qe-7.5/TDDFPT/src/orthogonalize_omega.f90\nq-e-qe-7.5/TDDFPT/src/paw_add_symmetry.f90\nq-e-qe-7.5/TDDFPT/src/plugin_tddfpt_potential.f90\nq-e-qe-7.5/TDDFPT/src/print_clock_lr.f90\nq-e-qe-7.5/TDDFPT/src/sd0psi.f90\nq-e-qe-7.5/TDDFPT/src/stop_lr.f90\nq-e-qe-7.5/TDDFPT/src/turbo_spectrum.f90\nq-e-qe-7.5/UtilXlib/\nq-e-qe-7.5/UtilXlib/CMakeLists.txt\nq-e-qe-7.5/UtilXlib/Makefile\nq-e-qe-7.5/UtilXlib/Makefile.test\nq-e-qe-7.5/UtilXlib/README.md\nq-e-qe-7.5/UtilXlib/c_mkdir.c\nq-e-qe-7.5/UtilXlib/clib_wrappers.f90\nq-e-qe-7.5/UtilXlib/clocks_handler.f90\nq-e-qe-7.5/UtilXlib/copy.c\nq-e-qe-7.5/UtilXlib/cptimer.c\nq-e-qe-7.5/UtilXlib/data_buffer.f90\nq-e-qe-7.5/UtilXlib/device_helper.f90\nq-e-qe-7.5/UtilXlib/divide.f90\nq-e-qe-7.5/UtilXlib/error_handler.f90\nq-e-qe-7.5/UtilXlib/eval_infix.c\nq-e-qe-7.5/UtilXlib/export_gstart_2_solvers.f90\nq-e-qe-7.5/UtilXlib/find_free_unit.f90\nq-e-qe-7.5/UtilXlib/fletcher32.c\nq-e-qe-7.5/UtilXlib/fletcher32_mod.f90\nq-e-qe-7.5/UtilXlib/hash.f90\nq-e-qe-7.5/UtilXlib/md5.c\nq-e-qe-7.5/UtilXlib/md5.h\nq-e-qe-7.5/UtilXlib/md5_from_file.c\nq-e-qe-7.5/UtilXlib/mem_counter.f90\nq-e-qe-7.5/UtilXlib/memstat.c\nq-e-qe-7.5/UtilXlib/memusage.c\nq-e-qe-7.5/UtilXlib/mp.f90\nq-e-qe-7.5/UtilXlib/mp_bands_util.f90\nq-e-qe-7.5/UtilXlib/mp_base.f90\nq-e-qe-7.5/UtilXlib/mp_base_gpu.f90\nq-e-qe-7.5/UtilXlib/nvtx_wrapper.f90\nq-e-qe-7.5/UtilXlib/parallel_include.f90\nq-e-qe-7.5/UtilXlib/print_mem.f90\nq-e-qe-7.5/UtilXlib/ptrace.c\nq-e-qe-7.5/UtilXlib/set_mpi_comm_4_solvers.f90\nq-e-qe-7.5/UtilXlib/tests/\nq-e-qe-7.5/UtilXlib/tests/Makefile\nq-e-qe-7.5/UtilXlib/tests/README.md\nq-e-qe-7.5/UtilXlib/tests/compile_and_run_tests.sh\nq-e-qe-7.5/UtilXlib/tests/gen_tests.py\nq-e-qe-7.5/UtilXlib/tests/mp_world.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_allgatherv_type_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_alltoall.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_alltoall_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_c4d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_c5d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_c6d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_i1.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_i1_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_i4d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_im.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_im_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_it.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_it_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_iv.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_iv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_iv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_iv_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_lv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_lv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_r4d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_r5d_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_rv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_bcast_rv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_circular_shift_left_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_count_nodes.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_gather_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_gatherv_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_gatherv_type_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_get_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_max_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_max_iv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_max_iv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_max_rv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_max_rv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_min_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_min_iv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_min_iv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_min_rv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_min_rv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_put_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_root_sum_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_sum_gpu.tmpl\nq-e-qe-7.5/UtilXlib/tests/test_mp_sum_iv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_sum_iv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_sum_rv_buffer.f90\nq-e-qe-7.5/UtilXlib/tests/test_mp_sum_rv_buffer_gpu.f90\nq-e-qe-7.5/UtilXlib/tests/test_offload_macros.f90\nq-e-qe-7.5/UtilXlib/tests/tester.f90\nq-e-qe-7.5/UtilXlib/tests/utils.f90\nq-e-qe-7.5/UtilXlib/thread_util.f90\nq-e-qe-7.5/UtilXlib/util_param.f90\nq-e-qe-7.5/XClib/\nq-e-qe-7.5/XClib/CMakeLists.txt\nq-e-qe-7.5/XClib/Ford/\nq-e-qe-7.5/XClib/Ford/Ford.md\nq-e-qe-7.5/XClib/Ford/pagedir/\nq-e-qe-7.5/XClib/Ford/pagedir/index.md\nq-e-qe-7.5/XClib/Makefile\nq-e-qe-7.5/XClib/README.BEEF\nq-e-qe-7.5/XClib/README.TEST\nq-e-qe-7.5/XClib/beefleg.h\nq-e-qe-7.5/XClib/beefun.c\nq-e-qe-7.5/XClib/dft_setting_params.f90\nq-e-qe-7.5/XClib/dft_setting_routines.f90\nq-e-qe-7.5/XClib/pbecor.c\nq-e-qe-7.5/XClib/pbecor.h\nq-e-qe-7.5/XClib/qe_constants.f90\nq-e-qe-7.5/XClib/qe_dft_list.f90\nq-e-qe-7.5/XClib/qe_dft_refs.f90\nq-e-qe-7.5/XClib/qe_drivers_d_gga.f90\nq-e-qe-7.5/XClib/qe_drivers_d_lda_lsda.f90\nq-e-qe-7.5/XClib/qe_drivers_gga.f90\nq-e-qe-7.5/XClib/qe_drivers_lda_lsda.f90\nq-e-qe-7.5/XClib/qe_drivers_mgga.f90\nq-e-qe-7.5/XClib/qe_funct_corr_gga.f90\nq-e-qe-7.5/XClib/qe_funct_corr_lda_lsda.f90\nq-e-qe-7.5/XClib/qe_funct_exch_gga.f90\nq-e-qe-7.5/XClib/qe_funct_exch_lda_lsda.f90\nq-e-qe-7.5/XClib/qe_funct_mgga.f90\nq-e-qe-7.5/XClib/qe_kind.f90\nq-e-qe-7.5/XClib/test_input_files/\nq-e-qe-7.5/XClib/test_input_files/all_shorts.xml\nq-e-qe-7.5/XClib/test_input_files/all_terms.xml\nq-e-qe-7.5/XClib/test_input_files/exe_test.in\nq-e-qe-7.5/XClib/test_input_files/gen_test.in\nq-e-qe-7.5/XClib/test_input_files/test_all_shorts.in\nq-e-qe-7.5/XClib/test_input_files/test_all_terms.in\nq-e-qe-7.5/XClib/xc_beef_interface.f90\nq-e-qe-7.5/XClib/xc_infos.f90\nq-e-qe-7.5/XClib/xc_lib.f90\nq-e-qe-7.5/XClib/xc_wrapper_d_gga.f90\nq-e-qe-7.5/XClib/xc_wrapper_d_lda_lsda.f90\nq-e-qe-7.5/XClib/xc_wrapper_gga.f90\nq-e-qe-7.5/XClib/xc_wrapper_lda_lsda.f90\nq-e-qe-7.5/XClib/xc_wrapper_mgga.f90\nq-e-qe-7.5/XClib/xclib_error.f90\nq-e-qe-7.5/XClib/xclib_test.f90\nq-e-qe-7.5/XClib/xclib_utils_and_para.f90\nq-e-qe-7.5/XSpectra/\nq-e-qe-7.5/XSpectra/CMakeLists.txt\nq-e-qe-7.5/XSpectra/Doc/\nq-e-qe-7.5/XSpectra/Doc/INPUT_MOLECULARNEXAFS\nq-e-qe-7.5/XSpectra/Doc/INPUT_SPECTRA_CORRECTION\nq-e-qe-7.5/XSpectra/Doc/INPUT_SPECTRA_MANIPULATION\nq-e-qe-7.5/XSpectra/Doc/INPUT_XSPECTRA\nq-e-qe-7.5/XSpectra/Makefile\nq-e-qe-7.5/XSpectra/README\nq-e-qe-7.5/XSpectra/examples/\nq-e-qe-7.5/XSpectra/examples/pseudo/\nq-e-qe-7.5/XSpectra/examples/pseudo/C_PBE_TM_2pj.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/Ch_PBE_TM_2pj.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/Cu_US_PBE_3pj_lowE.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/Cu_halfh_US_PBE_3pj.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/Ni_PBE_TM_2pj.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/O_PBE_TM.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/O_PBE_USPP.UPF\nq-e-qe-7.5/XSpectra/examples/pseudo/Si_PBE_USPP.UPF\nq-e-qe-7.5/XSpectra/examples/reference/\nq-e-qe-7.5/XSpectra/examples/reference/C.wfc\nq-e-qe-7.5/XSpectra/examples/reference/Cu.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/Cu.wfc\nq-e-qe-7.5/XSpectra/examples/reference/Cu_halfh.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu_halfh.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/Cu_halfh_xspectra.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu_halfh_xspectra.out\nq-e-qe-7.5/XSpectra/examples/reference/Cu_halfh_xspectra_xonlyplot.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xanes_L2.dat\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xanes_L2.sav\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xanes_L2_lplus.dat\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xanes_L2_lplus.sav\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xspectra.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xspectra.out\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xspectra_lplus.in\nq-e-qe-7.5/XSpectra/examples/reference/Cu_xspectra_lplus.out\nq-e-qe-7.5/XSpectra/examples/reference/Cuhalfh_xanes_L2.dat\nq-e-qe-7.5/XSpectra/examples/reference/Cuhalfh_xanes_L2.sav\nq-e-qe-7.5/XSpectra/examples/reference/Cuhalfh_xanes_L2_xonlyplot.dat\nq-e-qe-7.5/XSpectra/examples/reference/Ni.wfc\nq-e-qe-7.5/XSpectra/examples/reference/NiO.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/NiO.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip.dat\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip.in\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip.out\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip.sav\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip_replot.dat\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip_replot.in\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_dip_replot.out\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_qua.dat\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_qua.in\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_qua.out\nq-e-qe-7.5/XSpectra/examples/reference/NiO.xspectra_qua.sav\nq-e-qe-7.5/XSpectra/examples/reference/Si.wfc\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_c.dat\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_c.in\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_c.out\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_c.sav\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_plane.dat\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_plane.in\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_plane.out\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_plane.sav\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.in\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.out\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.sav\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.dat\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.in\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.out\nq-e-qe-7.5/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.sav\nq-e-qe-7.5/XSpectra/examples/reference/diamond.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/diamond.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra.dat\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra.in\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra.out\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra.sav\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra_fermi.in\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra_fermi.out\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra_replot.dat\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra_replot.in\nq-e-qe-7.5/XSpectra/examples/reference/diamond.xspectra_replot.out\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.scf.in\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.scf.out\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra.dat\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra.in\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra.out\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra.sav\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra_fermi.in\nq-e-qe-7.5/XSpectra/examples/reference/diamondh.xspectra_fermi.out\nq-e-qe-7.5/XSpectra/examples/run_example_Cu_L23\nq-e-qe-7.5/XSpectra/examples/run_example_NiO\nq-e-qe-7.5/XSpectra/examples/run_example_SiO2_USPP\nq-e-qe-7.5/XSpectra/examples/run_example_diamond\nq-e-qe-7.5/XSpectra/src/\nq-e-qe-7.5/XSpectra/src/Makefile\nq-e-qe-7.5/XSpectra/src/assign_paw_radii_to_species.f90\nq-e-qe-7.5/XSpectra/src/banner_xspectra.f90\nq-e-qe-7.5/XSpectra/src/check_orthogonality_k_epsilon.f90\nq-e-qe-7.5/XSpectra/src/gaunt_mod.f90\nq-e-qe-7.5/XSpectra/src/init_gipaw_1.f90\nq-e-qe-7.5/XSpectra/src/init_gipaw_2.f90\nq-e-qe-7.5/XSpectra/src/io_routines.f90\nq-e-qe-7.5/XSpectra/src/ipoolscatter.f90\nq-e-qe-7.5/XSpectra/src/lanczos.f90\nq-e-qe-7.5/XSpectra/src/lr_sm1_psi.f90\nq-e-qe-7.5/XSpectra/src/molecularnexafs.f90\nq-e-qe-7.5/XSpectra/src/mygetK.f90\nq-e-qe-7.5/XSpectra/src/paw_gipaw.f90\nq-e-qe-7.5/XSpectra/src/plot_xanes_cross_sections.f90\nq-e-qe-7.5/XSpectra/src/radin_mod.f90\nq-e-qe-7.5/XSpectra/src/read_input_and_bcast.f90\nq-e-qe-7.5/XSpectra/src/read_k_points.f90\nq-e-qe-7.5/XSpectra/src/reset_k_points_and_reinit.f90\nq-e-qe-7.5/XSpectra/src/select_nl_init.f90\nq-e-qe-7.5/XSpectra/src/set_xspectra_namelists_defaults.f90\nq-e-qe-7.5/XSpectra/src/spectra_correction.f90\nq-e-qe-7.5/XSpectra/src/stdout_routines.f90\nq-e-qe-7.5/XSpectra/src/xanes_dipole.f90\nq-e-qe-7.5/XSpectra/src/xanes_dipole_general_edge.f90\nq-e-qe-7.5/XSpectra/src/xanes_quadrupole.f90\nq-e-qe-7.5/XSpectra/src/xspectra.f90\nq-e-qe-7.5/XSpectra/src/xspectra_mod.f90\nq-e-qe-7.5/XSpectra/src/xspectra_utils.f90\nq-e-qe-7.5/XSpectra/tools/\nq-e-qe-7.5/XSpectra/tools/upf2plotcore.sh\nq-e-qe-7.5/archive/\nq-e-qe-7.5/archive/.gitignore\nq-e-qe-7.5/archive/README.md\nq-e-qe-7.5/atomic/\nq-e-qe-7.5/atomic/CMakeLists.txt\nq-e-qe-7.5/atomic/Doc/\nq-e-qe-7.5/atomic/Doc/ChangeLog\nq-e-qe-7.5/atomic/Doc/INPUT_LD1.def\nq-e-qe-7.5/atomic/Doc/INPUT_LD1.html\nq-e-qe-7.5/atomic/Doc/INPUT_LD1.txt\nq-e-qe-7.5/atomic/Doc/Makefile\nq-e-qe-7.5/atomic/Doc/pseudo-gen-fig1.pdf\nq-e-qe-7.5/atomic/Doc/pseudo-gen-fig2.pdf\nq-e-qe-7.5/atomic/Doc/pseudo-gen-fig3.pdf\nq-e-qe-7.5/atomic/Doc/pseudo-gen-fig4.pdf\nq-e-qe-7.5/atomic/Doc/pseudo-gen.pdf\nq-e-qe-7.5/atomic/Doc/pseudo-gen.tex\nq-e-qe-7.5/atomic/KLI.md\nq-e-qe-7.5/atomic/Makefile\nq-e-qe-7.5/atomic/README\nq-e-qe-7.5/atomic/examples/\nq-e-qe-7.5/atomic/examples/all-electron/\nq-e-qe-7.5/atomic/examples/all-electron/AAREADME\nq-e-qe-7.5/atomic/examples/all-electron/ar.in\nq-e-qe-7.5/atomic/examples/all-electron/c_oep.in\nq-e-qe-7.5/atomic/examples/all-electron/clean.sh\nq-e-qe-7.5/atomic/examples/all-electron/cu.in\nq-e-qe-7.5/atomic/examples/all-electron/cu1.in\nq-e-qe-7.5/atomic/examples/all-electron/f.in\nq-e-qe-7.5/atomic/examples/all-electron/fe.in\nq-e-qe-7.5/atomic/examples/all-electron/h.in\nq-e-qe-7.5/atomic/examples/all-electron/h.oep.in\nq-e-qe-7.5/atomic/examples/all-electron/he.in\nq-e-qe-7.5/atomic/examples/all-electron/he.oep.in\nq-e-qe-7.5/atomic/examples/all-electron/mg.in\nq-e-qe-7.5/atomic/examples/all-electron/ne.kli.in\nq-e-qe-7.5/atomic/examples/all-electron/ne_oep.in\nq-e-qe-7.5/atomic/examples/all-electron/pt.in\nq-e-qe-7.5/atomic/examples/all-electron/reference/\nq-e-qe-7.5/atomic/examples/all-electron/reference/ar.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/c_oep.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/cu.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/cu1.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/f.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/fe.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/h.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/he.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/mg.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/ne_oep.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/pt.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/u.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/u1.out\nq-e-qe-7.5/atomic/examples/all-electron/reference/w.out\nq-e-qe-7.5/atomic/examples/all-electron/test.job\nq-e-qe-7.5/atomic/examples/all-electron/u.in\nq-e-qe-7.5/atomic/examples/all-electron/u1.in\nq-e-qe-7.5/atomic/examples/all-electron/w.in\nq-e-qe-7.5/atomic/examples/make_clean\nq-e-qe-7.5/atomic/examples/paw_examples/\nq-e-qe-7.5/atomic/examples/paw_examples/README\nq-e-qe-7.5/atomic/examples/paw_examples/clean\nq-e-qe-7.5/atomic/examples/paw_examples/input/\nq-e-qe-7.5/atomic/examples/paw_examples/input/Be.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/C.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Cl.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Cu.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/F.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Fe.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Ge.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/H.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Li-1s.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Li.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/N.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Na-2s2p.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/O-lda.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/O.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/P.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Pd.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/S.in\nq-e-qe-7.5/atomic/examples/paw_examples/input/Si.in\nq-e-qe-7.5/atomic/examples/paw_examples/oxygen/\nq-e-qe-7.5/atomic/examples/paw_examples/oxygen/gen.in\nq-e-qe-7.5/atomic/examples/paw_examples/oxygen/spin.in\nq-e-qe-7.5/atomic/examples/paw_examples/oxygen/test.in\nq-e-qe-7.5/atomic/examples/paw_examples/plot_dlog\nq-e-qe-7.5/atomic/examples/paw_examples/reference/\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Be-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Be.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/C-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/C.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Cl-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Cl.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Cu-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Cu.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/F-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/F.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Fe-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Fe.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Ge-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Ge.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/H-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/H.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Li-1s-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Li-1s.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Li-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Li.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/N-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/N.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Na-2s2p-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Na-2s2p.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/O-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/O-lda-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/O-lda.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/O.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/P-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/P.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Pd-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Pd.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/S-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/S.out\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Si-dlog.ps\nq-e-qe-7.5/atomic/examples/paw_examples/reference/Si.out\nq-e-qe-7.5/atomic/examples/paw_examples/test\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/AAREADME\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/Si.pz-vbc.UPF\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/clean.sh\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/reference/\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/reference/Si.LDA.0.5.UPF\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/reference/si.lda.0.5.out\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/si.lda.0.5.in\nq-e-qe-7.5/atomic/examples/pseudo-LDA-0.5/test.job\nq-e-qe-7.5/atomic/examples/pseudo-gen/\nq-e-qe-7.5/atomic/examples/pseudo-gen/AAREADME\nq-e-qe-7.5/atomic/examples/pseudo-gen/al.in\nq-e-qe-7.5/atomic/examples/pseudo-gen/as.in\nq-e-qe-7.5/atomic/examples/pseudo-gen/clean.sh\nq-e-qe-7.5/atomic/examples/pseudo-gen/o.in\nq-e-qe-7.5/atomic/examples/pseudo-gen/pt.in\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/Al.rrkj3\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/Asrel.RRKJ3.UPF\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/OPBE.RRKJ3\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/Ptrel.RRKJ3.UPF\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/SiPBE_nc\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/al.out\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/as.out\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/o.out\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/pt.out\nq-e-qe-7.5/atomic/examples/pseudo-gen/reference/si_nc.out\nq-e-qe-7.5/atomic/examples/pseudo-gen/si_nc.in\nq-e-qe-7.5/atomic/examples/pseudo-gen/test.job\nq-e-qe-7.5/atomic/examples/pseudo-test/\nq-e-qe-7.5/atomic/examples/pseudo-test/AAREADME\nq-e-qe-7.5/atomic/examples/pseudo-test/Al.rrkj3\nq-e-qe-7.5/atomic/examples/pseudo-test/Asrel.RRKJ3.UPF\nq-e-qe-7.5/atomic/examples/pseudo-test/Garel.ld1\nq-e-qe-7.5/atomic/examples/pseudo-test/NiUSPBE.RRKJ3\nq-e-qe-7.5/atomic/examples/pseudo-test/OPBE.RRKJ3.UPF\nq-e-qe-7.5/atomic/examples/pseudo-test/RhUSPBEnlcc.RRKJ3.UPF\nq-e-qe-7.5/atomic/examples/pseudo-test/S.gon\nq-e-qe-7.5/atomic/examples/pseudo-test/al.in\nq-e-qe-7.5/atomic/examples/pseudo-test/as.in\nq-e-qe-7.5/atomic/examples/pseudo-test/clean.sh\nq-e-qe-7.5/atomic/examples/pseudo-test/ga.in\nq-e-qe-7.5/atomic/examples/pseudo-test/ni.in\nq-e-qe-7.5/atomic/examples/pseudo-test/o.in\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/al.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/as.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/ga.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/ni.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/o.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/rh.out\nq-e-qe-7.5/atomic/examples/pseudo-test/reference/s.out\nq-e-qe-7.5/atomic/examples/pseudo-test/rh.in\nq-e-qe-7.5/atomic/examples/pseudo-test/s.in\nq-e-qe-7.5/atomic/examples/pseudo-test/test.job\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/AAREADME\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ar.sla-gl.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ar.sla-noc.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ar.sla-pz.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/clean.sh\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/kr.sla-gl.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/kr.sla-noc.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/kr.sla-pz.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ne.sla-gl.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ne.sla-noc.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/ne.sla-pz.in\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-gl.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-gl.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-noc.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-noc.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-pz.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ar.sla-pz.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/compare.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-gl.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-gl.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-noc.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-noc.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-pz.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/kr.sla-pz.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-gl.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-gl.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-noc.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-noc.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-pz.freq-pol.dat\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/reference/ne.sla-pz.out\nq-e-qe-7.5/atomic/examples/vdw-in-tfvw/test.job\nq-e-qe-7.5/atomic/pseudo_library/\nq-e-qe-7.5/atomic/pseudo_library/AAAREADME\nq-e-qe-7.5/atomic/pseudo_library/LDA/\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Ag.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Al.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/As.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Au.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/B.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Br.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/C.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Cd.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Cl.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/F.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/H.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Hg.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Ir.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/N.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/O.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/O.rel-pz-rrkjus_h.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Os.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/P.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Pb.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Pd.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Rh.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Ru.rel-pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/S.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Sb.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Se.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/Si.rel-pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/clean\nq-e-qe-7.5/atomic/pseudo_library/LDA/REL/make_ps\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Ag.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Al.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/As.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Au.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Au.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/B.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Br.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/C.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Cd.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Cd.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Cl.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/F.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/H.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Hg.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Ir.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/N.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/O.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/O.pz-rrkjus_h.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Os.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/P.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Pb.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Pd.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Rh.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Ru.pz-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/S.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Sb.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Se.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/Si.pz-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/clean\nq-e-qe-7.5/atomic/pseudo_library/LDA/SR/make_ps\nq-e-qe-7.5/atomic/pseudo_library/PBE/\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Ag.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Al.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/As.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Au.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/B.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Br.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/C.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Cd.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Cl.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/F.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/H.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Hg.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Ir.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/N.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/O.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/O.rel-pbe-rrkjus_h.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Os.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/P.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Pb.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Pd.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Rh.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Ru.rel-pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/S.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Sb.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Se.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/Si.rel-pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/clean\nq-e-qe-7.5/atomic/pseudo_library/PBE/REL/make_ps\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Ag.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Al.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/As.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Au.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Au.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/B.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Br.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/C.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Cd.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Cd.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Cl.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/F.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/H.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Hg.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Ir.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Mg.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/N.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/O.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/O.pbe-rrkjus_h.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Os.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/P.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Pb.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Pd.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Rh.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Ru.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/S.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Sb.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Se.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Si.pbe-rrkj.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/Sn.pbe-rrkjus.in\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/clean\nq-e-qe-7.5/atomic/pseudo_library/PBE/SR/make_ps\nq-e-qe-7.5/atomic/pseudo_library/make_clean\nq-e-qe-7.5/atomic/pseudo_library/make_ps\nq-e-qe-7.5/atomic/src/\nq-e-qe-7.5/atomic/src/Makefile\nq-e-qe-7.5/atomic/src/add_exchange.f90\nq-e-qe-7.5/atomic/src/all_electron.f90\nq-e-qe-7.5/atomic/src/ascheq.f90\nq-e-qe-7.5/atomic/src/ascheqps.f90\nq-e-qe-7.5/atomic/src/ascheqps_drv.f90\nq-e-qe-7.5/atomic/src/atomic_paw.f90\nq-e-qe-7.5/atomic/src/c6_dft.f90\nq-e-qe-7.5/atomic/src/c6_tfvw.f90\nq-e-qe-7.5/atomic/src/calculate_gipaw_orbitals.f90\nq-e-qe-7.5/atomic/src/cfdsol.f90\nq-e-qe-7.5/atomic/src/chargeps.f90\nq-e-qe-7.5/atomic/src/compute_chi.f90\nq-e-qe-7.5/atomic/src/compute_chi_tm.f90\nq-e-qe-7.5/atomic/src/compute_phi.f90\nq-e-qe-7.5/atomic/src/compute_phi_tm.f90\nq-e-qe-7.5/atomic/src/compute_phius.f90\nq-e-qe-7.5/atomic/src/compute_potps.f90\nq-e-qe-7.5/atomic/src/compute_potps_new.f90\nq-e-qe-7.5/atomic/src/compute_q_3bess.f90\nq-e-qe-7.5/atomic/src/compute_relpert.f90\nq-e-qe-7.5/atomic/src/compute_solution.f90\nq-e-qe-7.5/atomic/src/default_conf.f90\nq-e-qe-7.5/atomic/src/descreening.f90\nq-e-qe-7.5/atomic/src/dfx_new.f90\nq-e-qe-7.5/atomic/src/dir_outward.f90\nq-e-qe-7.5/atomic/src/dirsol.f90\nq-e-qe-7.5/atomic/src/dmixp.f90\nq-e-qe-7.5/atomic/src/drho0ofvx.f90\nq-e-qe-7.5/atomic/src/drhoofv.f90\nq-e-qe-7.5/atomic/src/dvex.f90\nq-e-qe-7.5/atomic/src/el_config.f90\nq-e-qe-7.5/atomic/src/elsd.f90\nq-e-qe-7.5/atomic/src/elsd_highv.f90\nq-e-qe-7.5/atomic/src/elsdps.f90\nq-e-qe-7.5/atomic/src/elsdps_paw.f90\nq-e-qe-7.5/atomic/src/esic.f90\nq-e-qe-7.5/atomic/src/export_upf.f90\nq-e-qe-7.5/atomic/src/find_qi.f90\nq-e-qe-7.5/atomic/src/gener_pseudo.f90\nq-e-qe-7.5/atomic/src/grad_log.f90\nq-e-qe-7.5/atomic/src/green.f90\nq-e-qe-7.5/atomic/src/import_upf.f90\nq-e-qe-7.5/atomic/src/int_0_inf_dr.f90\nq-e-qe-7.5/atomic/src/integrate_inward.f90\nq-e-qe-7.5/atomic/src/integrate_outward.f90\nq-e-qe-7.5/atomic/src/intref.f90\nq-e-qe-7.5/atomic/src/inward.f90\nq-e-qe-7.5/atomic/src/kin_e_density.f90\nq-e-qe-7.5/atomic/src/kli.f90\nq-e-qe-7.5/atomic/src/ld1.f90\nq-e-qe-7.5/atomic/src/ld1_readin.f90\nq-e-qe-7.5/atomic/src/ld1_setup.f90\nq-e-qe-7.5/atomic/src/ld1_writeout.f90\nq-e-qe-7.5/atomic/src/ld1inc.f90\nq-e-qe-7.5/atomic/src/lderiv.f90\nq-e-qe-7.5/atomic/src/lderivps.f90\nq-e-qe-7.5/atomic/src/lschps.f90\nq-e-qe-7.5/atomic/src/new_potential.f90\nq-e-qe-7.5/atomic/src/newd_at.f90\nq-e-qe-7.5/atomic/src/nodenum.f90\nq-e-qe-7.5/atomic/src/normalize.f90\nq-e-qe-7.5/atomic/src/occ_spin.f90\nq-e-qe-7.5/atomic/src/outward.f90\nq-e-qe-7.5/atomic/src/parameters.f90\nq-e-qe-7.5/atomic/src/partial_wave_expansion.f90\nq-e-qe-7.5/atomic/src/paw_type.f90\nq-e-qe-7.5/atomic/src/pseudo_q.f90\nq-e-qe-7.5/atomic/src/pseudovloc.f90\nq-e-qe-7.5/atomic/src/read_pseudo_ncpp.f90\nq-e-qe-7.5/atomic/src/read_pseudo_rrkj3.f90\nq-e-qe-7.5/atomic/src/run_lda_half.f90\nq-e-qe-7.5/atomic/src/run_pseudo.f90\nq-e-qe-7.5/atomic/src/run_test.f90\nq-e-qe-7.5/atomic/src/scf.f90\nq-e-qe-7.5/atomic/src/seriebes.f90\nq-e-qe-7.5/atomic/src/set_psi_in.f90\nq-e-qe-7.5/atomic/src/set_rc_rv.f90\nq-e-qe-7.5/atomic/src/set_rho_core.f90\nq-e-qe-7.5/atomic/src/set_sl3.f90\nq-e-qe-7.5/atomic/src/sic_correction.f90\nq-e-qe-7.5/atomic/src/start_potps.f90\nq-e-qe-7.5/atomic/src/start_scheq.f90\nq-e-qe-7.5/atomic/src/starting_potential.f90\nq-e-qe-7.5/atomic/src/test_bessel.f90\nq-e-qe-7.5/atomic/src/trou.f90\nq-e-qe-7.5/atomic/src/utils.f90\nq-e-qe-7.5/atomic/src/v_of_rho_at.f90\nq-e-qe-7.5/atomic/src/vdpack.f90\nq-e-qe-7.5/atomic/src/vext.f90\nq-e-qe-7.5/atomic/src/vpack.f90\nq-e-qe-7.5/atomic/src/vxcgc.f90\nq-e-qe-7.5/atomic/src/write_ae_pseudo.f90\nq-e-qe-7.5/atomic/src/write_cpmd.f90\nq-e-qe-7.5/atomic/src/write_files.f90\nq-e-qe-7.5/atomic/src/write_paw_recon.f90\nq-e-qe-7.5/atomic/src/write_pseudo.f90\nq-e-qe-7.5/atomic/src/write_results.f90\nq-e-qe-7.5/atomic/src/write_resultsps.f90\nq-e-qe-7.5/cmake/\nq-e-qe-7.5/cmake/CMakeGraphVizOptions.cmake\nq-e-qe-7.5/cmake/CrayFortranCompiler.cmake\nq-e-qe-7.5/cmake/FindDeviceXlib.cmake\nq-e-qe-7.5/cmake/FindELPA.cmake\nq-e-qe-7.5/cmake/FindEnviron.cmake\nq-e-qe-7.5/cmake/FindFFTW3.cmake\nq-e-qe-7.5/cmake/FindFoX.cmake\nq-e-qe-7.5/cmake/FindLibxc.cmake\nq-e-qe-7.5/cmake/FindMBD.cmake\nq-e-qe-7.5/cmake/FindSCALAPACK.cmake\nq-e-qe-7.5/cmake/FindVendorFFTW.cmake\nq-e-qe-7.5/cmake/FindWannier90.cmake\nq-e-qe-7.5/cmake/GNUFortranCompiler.cmake\nq-e-qe-7.5/cmake/GitInfo.cmake\nq-e-qe-7.5/cmake/IBMFortranCompiler.cmake\nq-e-qe-7.5/cmake/IntelFortranCompiler.cmake\nq-e-qe-7.5/cmake/NVFortranCompiler.cmake\nq-e-qe-7.5/cmake/UseLATEX.cmake\nq-e-qe-7.5/cmake/flags/\nq-e-qe-7.5/cmake/flags/debug.cmake\nq-e-qe-7.5/cmake/flags/native.cmake\nq-e-qe-7.5/cmake/flags/native.pgi.cmake\nq-e-qe-7.5/cmake/qeConfig.cmake.in\nq-e-qe-7.5/cmake/qeHelpers.cmake\nq-e-qe-7.5/cmake/quantum_espresso.pc.in\nq-e-qe-7.5/cmake/unit_test.cmake\nq-e-qe-7.5/configure\nq-e-qe-7.5/dev-tools/\nq-e-qe-7.5/dev-tools/Makefile\nq-e-qe-7.5/dev-tools/README.helpdoc\nq-e-qe-7.5/dev-tools/README.md\nq-e-qe-7.5/dev-tools/callhtml.pl\nq-e-qe-7.5/dev-tools/calltree.pl\nq-e-qe-7.5/dev-tools/check_gui\nq-e-qe-7.5/dev-tools/device_props.c\nq-e-qe-7.5/dev-tools/diff_gui_help\nq-e-qe-7.5/dev-tools/exported-cmds.pwtk\nq-e-qe-7.5/dev-tools/gen-emacs-mode\nq-e-qe-7.5/dev-tools/gen-emacs-mode.tcl\nq-e-qe-7.5/dev-tools/get_device_props.py\nq-e-qe-7.5/dev-tools/guihelp.xsl\nq-e-qe-7.5/dev-tools/helpdoc\nq-e-qe-7.5/dev-tools/helpdoc.d/\nq-e-qe-7.5/dev-tools/helpdoc.d/auxil.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/gui.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/guihelp.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/helpdoc.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/modules.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/parseTags.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/readSchema.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/robodoc.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/syntax_txt.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/tclIndex\nq-e-qe-7.5/dev-tools/helpdoc.d/tree.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/txt.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/txt_enter.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/txt_leave.tcl\nq-e-qe-7.5/dev-tools/helpdoc.d/xml.tcl\nq-e-qe-7.5/dev-tools/helpdoc.schema\nq-e-qe-7.5/dev-tools/input_xx.xsl\nq-e-qe-7.5/dev-tools/mem_analyse.py\nq-e-qe-7.5/dev-tools/mem_counter\nq-e-qe-7.5/dev-tools/mem_counter.py\nq-e-qe-7.5/dev-tools/porting/\nq-e-qe-7.5/dev-tools/porting/becmod.json\nq-e-qe-7.5/dev-tools/porting/derived_type_duplicated_module.jf90\nq-e-qe-7.5/dev-tools/porting/duplicated_module.jf90\nq-e-qe-7.5/dev-tools/porting/gen_derived.py\nq-e-qe-7.5/dev-tools/porting/gen_intrinsic.py\nq-e-qe-7.5/dev-tools/porting/regenerate_duplicated_variables.sh\nq-e-qe-7.5/dev-tools/release-checklist.md\nq-e-qe-7.5/dev-tools/src-normal\nq-e-qe-7.5/dev-tools/src-normal.py\nq-e-qe-7.5/dev-tools/update_gui_help\nq-e-qe-7.5/dft-d3/\nq-e-qe-7.5/dft-d3/CMakeLists.txt\nq-e-qe-7.5/dft-d3/Makefile\nq-e-qe-7.5/dft-d3/README\nq-e-qe-7.5/dft-d3/api.f90\nq-e-qe-7.5/dft-d3/common.f90\nq-e-qe-7.5/dft-d3/core.f90\nq-e-qe-7.5/dft-d3/dftd3_qe.f90\nq-e-qe-7.5/dft-d3/pars.f90\nq-e-qe-7.5/dft-d3/sizes.f90\nq-e-qe-7.5/dft-d3/test_code.f90\nq-e-qe-7.5/environment_variables\nq-e-qe-7.5/external/\nq-e-qe-7.5/external/.gitignore\nq-e-qe-7.5/external/CMakeLists.txt\nq-e-qe-7.5/external/d3q/\nq-e-qe-7.5/external/devxlib/\nq-e-qe-7.5/external/devxlib.cmake\nq-e-qe-7.5/external/environ.cmake\nq-e-qe-7.5/external/fox/\nq-e-qe-7.5/external/fox.cmake\nq-e-qe-7.5/external/initialize_external_repos.sh\nq-e-qe-7.5/external/lapack/\nq-e-qe-7.5/external/mbd/\nq-e-qe-7.5/external/mbd.cmake\nq-e-qe-7.5/external/mbd.make\nq-e-qe-7.5/external/pw2qmcpack/\nq-e-qe-7.5/external/qe-gipaw/\nq-e-qe-7.5/external/submodule_commit_hash_records\nq-e-qe-7.5/external/update_commit_has_records.sh\nq-e-qe-7.5/external/wannier90/\nq-e-qe-7.5/external/wannier90.cmake\nq-e-qe-7.5/include/\nq-e-qe-7.5/include/configure.h.in\nq-e-qe-7.5/include/cpv_device_macros.h\nq-e-qe-7.5/include/defs.h.README\nq-e-qe-7.5/include/qe_version.h\nq-e-qe-7.5/install/\nq-e-qe-7.5/install/README.FX10\nq-e-qe-7.5/install/aclocal.m4\nq-e-qe-7.5/install/addsonpatch.sh\nq-e-qe-7.5/install/addsontool.sh\nq-e-qe-7.5/install/build_fox_with_pgi.sh\nq-e-qe-7.5/install/config.guess\nq-e-qe-7.5/install/config.sub\nq-e-qe-7.5/install/configure\nq-e-qe-7.5/install/configure.ac\nq-e-qe-7.5/install/configure.msg.in\nq-e-qe-7.5/install/extlibs_makefile\nq-e-qe-7.5/install/includedep.sh\nq-e-qe-7.5/install/install-sh\nq-e-qe-7.5/install/install_utils\nq-e-qe-7.5/install/m4/\nq-e-qe-7.5/install/m4/README\nq-e-qe-7.5/install/m4/ax_check_compile_flag.m4\nq-e-qe-7.5/install/m4/x_ac_qe_aix_dflags.m4\nq-e-qe-7.5/install/m4/x_ac_qe_ar.m4\nq-e-qe-7.5/install/m4/x_ac_qe_arch.m4\nq-e-qe-7.5/install/m4/x_ac_qe_blas.m4\nq-e-qe-7.5/install/m4/x_ac_qe_cc.m4\nq-e-qe-7.5/install/m4/x_ac_qe_cpp.m4\nq-e-qe-7.5/install/m4/x_ac_qe_cuda.m4\nq-e-qe-7.5/install/m4/x_ac_qe_default_env.m4\nq-e-qe-7.5/install/m4/x_ac_qe_elpa.m4\nq-e-qe-7.5/install/m4/x_ac_qe_environ.m4\nq-e-qe-7.5/install/m4/x_ac_qe_f90.m4\nq-e-qe-7.5/install/m4/x_ac_qe_f90rule.m4\nq-e-qe-7.5/install/m4/x_ac_qe_fft.m4\nq-e-qe-7.5/install/m4/x_ac_qe_fox.m4\nq-e-qe-7.5/install/m4/x_ac_qe_git.m4\nq-e-qe-7.5/install/m4/x_ac_qe_hdf5.m4\nq-e-qe-7.5/install/m4/x_ac_qe_lapack.m4\nq-e-qe-7.5/install/m4/x_ac_qe_ld.m4\nq-e-qe-7.5/install/m4/x_ac_qe_libxc.m4\nq-e-qe-7.5/install/m4/x_ac_qe_mass.m4\nq-e-qe-7.5/install/m4/x_ac_qe_mpi.m4\nq-e-qe-7.5/install/m4/x_ac_qe_mpif90.m4\nq-e-qe-7.5/install/m4/x_ac_qe_openmp.m4\nq-e-qe-7.5/install/m4/x_ac_qe_plugins.m4\nq-e-qe-7.5/install/m4/x_ac_qe_ranlib.m4\nq-e-qe-7.5/install/m4/x_ac_qe_scalapack.m4\nq-e-qe-7.5/install/m4/x_ac_qe_signal.m4\nq-e-qe-7.5/install/m4/x_ac_qe_wget.m4\nq-e-qe-7.5/install/make.inc.in\nq-e-qe-7.5/install/make_lapack.inc.in\nq-e-qe-7.5/install/make_wannier90.inc.in\nq-e-qe-7.5/install/makedeps.sh\nq-e-qe-7.5/install/moduledep.sh\nq-e-qe-7.5/install/namedep.sh\nq-e-qe-7.5/install/plugins_list\nq-e-qe-7.5/install/plugins_makefile\nq-e-qe-7.5/install/refresh-configure.sh\nq-e-qe-7.5/logo.jpg\nq-e-qe-7.5/pseudo/\nq-e-qe-7.5/pseudo/Au.pz-rrkjus_aewfc.UPF\nq-e-qe-7.5/pseudo/Au_ONCV_PBE_FR_.upf\nq-e-qe-7.5/pseudo/B-PBE.upf\nq-e-qe-7.5/pseudo/C-q4.gth\nq-e-qe-7.5/pseudo/C.UPF\nq-e-qe-7.5/pseudo/C_3.98148.UPF\nq-e-qe-7.5/pseudo/Fe.pz-n-nc.UPF\nq-e-qe-7.5/pseudo/H-q1.gth\nq-e-qe-7.5/pseudo/HUSPBE.RRKJ3\nq-e-qe-7.5/pseudo/H_US.van\nq-e-qe-7.5/pseudo/Mo-PBE.upf\nq-e-qe-7.5/pseudo/N-PBE.upf\nq-e-qe-7.5/pseudo/O-q6.gth\nq-e-qe-7.5/pseudo/O_US.van\nq-e-qe-7.5/pseudo/Rh.pbe-rrkjus_lb.UPF\nq-e-qe-7.5/pseudo/Rhs.pbe-rrkjus_lb.UPF\nq-e-qe-7.5/pseudo/S-PBE.upf\nq-e-qe-7.5/pseudo/Si.bhs\nq-e-qe-7.5/pseudo/Si_r.upf\nq-e-qe-7.5/pseudo/clean_ps\nq-e-qe-7.5/pseudo/pb_s.UPF\nq-e-qe-7.5/test-suite/\nq-e-qe-7.5/test-suite/.gitignore\nq-e-qe-7.5/test-suite/CMakeLists.txt\nq-e-qe-7.5/test-suite/ENVIRONMENT\nq-e-qe-7.5/test-suite/Makefile\nq-e-qe-7.5/test-suite/QEHeat_h2o/\nq-e-qe-7.5/test-suite/QEHeat_h2o/all_currents.in\nq-e-qe-7.5/test-suite/QEHeat_h2o/all_currents_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_h2o/benchmark.out.git.inp=all_currents.in\nq-e-qe-7.5/test-suite/QEHeat_h2o/benchmark.out.git.inp=all_currents_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_h2o/traj/\nq-e-qe-7.5/test-suite/QEHeat_h2o/traj/cp.pos\nq-e-qe-7.5/test-suite/QEHeat_h2o/traj/cp.vel\nq-e-qe-7.5/test-suite/QEHeat_rotation/\nq-e-qe-7.5/test-suite/QEHeat_rotation/all_currents.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/all_currents_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/all_currents_not_rotated.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/all_currents_not_rotated_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_not_rotated.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_not_rotated_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_rotation/generate_all_currents.in.sh\nq-e-qe-7.5/test-suite/QEHeat_rotation/inpos\nq-e-qe-7.5/test-suite/QEHeat_rotation/invel\nq-e-qe-7.5/test-suite/QEHeat_rotation/rotate.py\nq-e-qe-7.5/test-suite/QEHeat_rotation/rotate_run.sh\nq-e-qe-7.5/test-suite/QEHeat_rotation/types\nq-e-qe-7.5/test-suite/QEHeat_translation/\nq-e-qe-7.5/test-suite/QEHeat_translation/README\nq-e-qe-7.5/test-suite/QEHeat_translation/benchmark.out.git.inp=input.in\nq-e-qe-7.5/test-suite/QEHeat_translation/benchmark.out.git.inp=input_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_translation/benchmark.out.git.inp=input_ar.in\nq-e-qe-7.5/test-suite/QEHeat_translation/benchmark.out.git.inp=input_ar_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_translation/input.in\nq-e-qe-7.5/test-suite/QEHeat_translation/input_2pt.in\nq-e-qe-7.5/test-suite/QEHeat_translation/input_ar.in\nq-e-qe-7.5/test-suite/QEHeat_translation/input_ar_2pt.in\nq-e-qe-7.5/test-suite/README\nq-e-qe-7.5/test-suite/README_CMake\nq-e-qe-7.5/test-suite/benchmarks/\nq-e-qe-7.5/test-suite/benchmarks/CMakeLists.txt\nq-e-qe-7.5/test-suite/benchmarks/pw/\nq-e-qe-7.5/test-suite/benchmarks/pw/ausurf.in\nq-e-qe-7.5/test-suite/benchmarks/pw/psiwat.in\nq-e-qe-7.5/test-suite/buildbot/\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/buildbot-slave.tac\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/buildbot.tac\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/check_smtp.py\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/environement.txt\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_gcc640_para.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_gcc640_serial.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_gcc730_openmpi1107.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel12_openmpi.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel17_impi.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel17_impi_serial.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel17_mvapich23.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel17_openmpi313.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel18_mvapich23.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel18_openmpi313.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_intel18_openmpi313_openmp.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_pgi17_mvapich23b.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/farmer_pgi18_mvapich23b.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/gcc640_para.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/gcc640_serial.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/intel17_impi.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/master.cfg\nq-e-qe-7.5/test-suite/buildbot/Cineca_farm/slave.py\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/README.txt\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/README.txt.libxc\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_hdf5.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_libxc.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_openmp.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc102_serial.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc750_openmpi211.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_gcc750_openmpi316-dbg.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_intel19_mvapich23.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_intel20_impi.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_pgi1910_GPU.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_pgi1910_openmpi313.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_pgi2011_GPU.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_pgi2011_openmpi313.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/farmer_pgi2107_GPU.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/master.cfg\nq-e-qe-7.5/test-suite/buildbot/Udine_farm/worker.py\nq-e-qe-7.5/test-suite/check_pseudo.sh\nq-e-qe-7.5/test-suite/cp_al_edft/\nq-e-qe-7.5/test-suite/cp_al_edft/Al.in\nq-e-qe-7.5/test-suite/cp_al_edft/Al.uspp.in\nq-e-qe-7.5/test-suite/cp_al_edft/benchmark.out.git.inp=Al.in\nq-e-qe-7.5/test-suite/cp_al_edft/benchmark.out.git.inp=Al.uspp.in\nq-e-qe-7.5/test-suite/cp_cluster/\nq-e-qe-7.5/test-suite/cp_cluster/benchmark.out.git.inp=cluster4.in\nq-e-qe-7.5/test-suite/cp_cluster/benchmark.out.git.inp=cluster6.in\nq-e-qe-7.5/test-suite/cp_cluster/cluster4.in\nq-e-qe-7.5/test-suite/cp_cluster/cluster6.in\nq-e-qe-7.5/test-suite/cp_h2o/\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-1.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-2.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-3.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-4.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-5.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-6.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-7.in\nq-e-qe-7.5/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-cg.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-1.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-2.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-3.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-4.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-5.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-6.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-7.in\nq-e-qe-7.5/test-suite/cp_h2o/h2o-mt-blyp-cg.in\nq-e-qe-7.5/test-suite/cp_h2o_exx/\nq-e-qe-7.5/test-suite/cp_h2o_exx/benchmark.out.git.inp=h2o-mt-b3lyp-1.in\nq-e-qe-7.5/test-suite/cp_h2o_exx/benchmark.out.git.inp=h2o-mt-exx_fraction.in\nq-e-qe-7.5/test-suite/cp_h2o_exx/h2o-mt-b3lyp-1.in\nq-e-qe-7.5/test-suite/cp_h2o_exx/h2o-mt-exx_fraction.in\nq-e-qe-7.5/test-suite/cp_h2o_scan_libxc/\nq-e-qe-7.5/test-suite/cp_h2o_scan_libxc/benchmark.out.git.inp=nspin1.in\nq-e-qe-7.5/test-suite/cp_h2o_scan_libxc/benchmark.out.git.inp=nspin2.in\nq-e-qe-7.5/test-suite/cp_h2o_scan_libxc/nspin1.in\nq-e-qe-7.5/test-suite/cp_h2o_scan_libxc/nspin2.in\nq-e-qe-7.5/test-suite/cp_h2o_wf/\nq-e-qe-7.5/test-suite/cp_h2o_wf/README\nq-e-qe-7.5/test-suite/cp_h2o_wf/benchmark.out.git.inp=h2o-nspin1.in\nq-e-qe-7.5/test-suite/cp_h2o_wf/benchmark.out.git.inp=h2o-nspin2.in\nq-e-qe-7.5/test-suite/cp_h2o_wf/h2o-nspin1.in\nq-e-qe-7.5/test-suite/cp_h2o_wf/h2o-nspin2.in\nq-e-qe-7.5/test-suite/cp_o2/\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-1.in\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-2.in\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-3.in\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-4.in\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-5.in\nq-e-qe-7.5/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-6.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-1.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-2.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-3.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-4.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-5.in\nq-e-qe-7.5/test-suite/cp_o2/o2-us-para-pbe-6.in\nq-e-qe-7.5/test-suite/cp_si/\nq-e-qe-7.5/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-1.in\nq-e-qe-7.5/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-2.in\nq-e-qe-7.5/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-3.in\nq-e-qe-7.5/test-suite/cp_si/si-vbc-lda-1.in\nq-e-qe-7.5/test-suite/cp_si/si-vbc-lda-2.in\nq-e-qe-7.5/test-suite/cp_si/si-vbc-lda-3.in\nq-e-qe-7.5/test-suite/cp_sio2/\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-1.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-2.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-3.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-4.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-cg.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-1.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-2.in\nq-e-qe-7.5/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-cg.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-lda-1.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-lda-2.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-lda-3.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-lda-4.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-lda-cg.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-pbe-1.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-pbe-2.in\nq-e-qe-7.5/test-suite/cp_sio2/sio2-us-pbe-cg.in\nq-e-qe-7.5/test-suite/ctest_runner.sh\nq-e-qe-7.5/test-suite/epw_2D/\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw3.in.args=10\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw5.in.args=5\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw6.in.args=5\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=epw8.in.args=5\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=scf.in.args=0\nq-e-qe-7.5/test-suite/epw_2D/benchmark.out.git.inp=scf_epw.in.args=0\nq-e-qe-7.5/test-suite/epw_2D/epw1.in\nq-e-qe-7.5/test-suite/epw_2D/epw2.in\nq-e-qe-7.5/test-suite/epw_2D/epw3.in\nq-e-qe-7.5/test-suite/epw_2D/epw4.in\nq-e-qe-7.5/test-suite/epw_2D/epw5.in\nq-e-qe-7.5/test-suite/epw_2D/epw6.in\nq-e-qe-7.5/test-suite/epw_2D/epw7.in\nq-e-qe-7.5/test-suite/epw_2D/epw8.in\nq-e-qe-7.5/test-suite/epw_2D/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_2D/ph.in\nq-e-qe-7.5/test-suite/epw_2D/pp.in\nq-e-qe-7.5/test-suite/epw_2D/quadrupole.fmt\nq-e-qe-7.5/test-suite/epw_2D/scf.in\nq-e-qe-7.5/test-suite/epw_2D/scf_epw.in\nq-e-qe-7.5/test-suite/epw_base/\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw10.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw11.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw12.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw13.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=epw9.in.args=3\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_base/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_base/epw.in\nq-e-qe-7.5/test-suite/epw_base/epw1.in\nq-e-qe-7.5/test-suite/epw_base/epw10.in\nq-e-qe-7.5/test-suite/epw_base/epw11.in\nq-e-qe-7.5/test-suite/epw_base/epw12.in\nq-e-qe-7.5/test-suite/epw_base/epw13.in\nq-e-qe-7.5/test-suite/epw_base/epw2.in\nq-e-qe-7.5/test-suite/epw_base/epw3.in\nq-e-qe-7.5/test-suite/epw_base/epw4.in\nq-e-qe-7.5/test-suite/epw_base/epw5.in\nq-e-qe-7.5/test-suite/epw_base/epw6.in\nq-e-qe-7.5/test-suite/epw_base/epw9.in\nq-e-qe-7.5/test-suite/epw_base/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_base/path.dat\nq-e-qe-7.5/test-suite/epw_base/ph.in\nq-e-qe-7.5/test-suite/epw_base/pp.in\nq-e-qe-7.5/test-suite/epw_base/scf.in\nq-e-qe-7.5/test-suite/epw_base/scf_epw.in\nq-e-qe-7.5/test-suite/epw_hall/\nq-e-qe-7.5/test-suite/epw_hall/LGXKG4.txt\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=epw5.in.args=5\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_hall/benchmark.out.git.inp=scf.in.args=0\nq-e-qe-7.5/test-suite/epw_hall/epw1.in\nq-e-qe-7.5/test-suite/epw_hall/epw2.in\nq-e-qe-7.5/test-suite/epw_hall/epw3.in\nq-e-qe-7.5/test-suite/epw_hall/epw4.in\nq-e-qe-7.5/test-suite/epw_hall/epw5.in\nq-e-qe-7.5/test-suite/epw_hall/nscf.in\nq-e-qe-7.5/test-suite/epw_hall/ph.in\nq-e-qe-7.5/test-suite/epw_hall/pp.in\nq-e-qe-7.5/test-suite/epw_hall/quadrupole.fmt\nq-e-qe-7.5/test-suite/epw_hall/scf.in\nq-e-qe-7.5/test-suite/epw_metal/\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw5.in.args=10\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=epw6.in.args=11\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_metal/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_metal/epw1.in\nq-e-qe-7.5/test-suite/epw_metal/epw2.in\nq-e-qe-7.5/test-suite/epw_metal/epw3.in\nq-e-qe-7.5/test-suite/epw_metal/epw4.in\nq-e-qe-7.5/test-suite/epw_metal/epw5.in\nq-e-qe-7.5/test-suite/epw_metal/epw6.in\nq-e-qe-7.5/test-suite/epw_metal/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_metal/ph.in\nq-e-qe-7.5/test-suite/epw_metal/pp.in\nq-e-qe-7.5/test-suite/epw_metal/save/\nq-e-qe-7.5/test-suite/epw_metal/save/ifc.q2r\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dvscf_q1\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dvscf_q2\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dvscf_q3\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dvscf_q4\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dyn_q1\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dyn_q2\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dyn_q3\nq-e-qe-7.5/test-suite/epw_metal/save/pb.dyn_q4\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/control_ph.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/patterns.1.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/patterns.2.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/patterns.3.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/patterns.4.xml\nq-e-qe-7.5/test-suite/epw_metal/save/pb.phsave/status_run.xml\nq-e-qe-7.5/test-suite/epw_metal/scf.in\nq-e-qe-7.5/test-suite/epw_metal/scf_epw.in\nq-e-qe-7.5/test-suite/epw_mob/\nq-e-qe-7.5/test-suite/epw_mob/LGX.txt\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.5/test-suite/epw_mob/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob/epw1.in\nq-e-qe-7.5/test-suite/epw_mob/epw2.in\nq-e-qe-7.5/test-suite/epw_mob/epw3.in\nq-e-qe-7.5/test-suite/epw_mob/epw4.in\nq-e-qe-7.5/test-suite/epw_mob/epw5.in\nq-e-qe-7.5/test-suite/epw_mob/epw6.in\nq-e-qe-7.5/test-suite/epw_mob/kpt.txt\nq-e-qe-7.5/test-suite/epw_mob/nscf.in\nq-e-qe-7.5/test-suite/epw_mob/ph.in\nq-e-qe-7.5/test-suite/epw_mob/pp.in\nq-e-qe-7.5/test-suite/epw_mob/pp.py\nq-e-qe-7.5/test-suite/epw_mob/q2r.in\nq-e-qe-7.5/test-suite/epw_mob/scf.in\nq-e-qe-7.5/test-suite/epw_mob/si.eig\nq-e-qe-7.5/test-suite/epw_mob_ibte/\nq-e-qe-7.5/test-suite/epw_mob_ibte/LGX.txt\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.5/test-suite/epw_mob_ibte/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_ibte/epw1.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/epw2.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/epw3.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/nscf.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/ph.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/pp.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/q2r.in\nq-e-qe-7.5/test-suite/epw_mob_ibte/scf.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/LGX.txt\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw6.in.args=5\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw8.in.args=5\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw9.in.args=5\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw1.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw2.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw3.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw4.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw5.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw6.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw7.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw8.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/epw9.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/nscf.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/ph.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/pp.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/q2r.in\nq-e-qe-7.5/test-suite/epw_mob_ibte_sym/scf.in\nq-e-qe-7.5/test-suite/epw_mob_polar/\nq-e-qe-7.5/test-suite/epw_mob_polar/Ga-LDA.upf\nq-e-qe-7.5/test-suite/epw_mob_polar/MGA.txt\nq-e-qe-7.5/test-suite/epw_mob_polar/N-LDA.upf\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_mob_polar/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_mob_polar/epw1.in\nq-e-qe-7.5/test-suite/epw_mob_polar/epw2.in\nq-e-qe-7.5/test-suite/epw_mob_polar/epw3.in\nq-e-qe-7.5/test-suite/epw_mob_polar/nscf.in\nq-e-qe-7.5/test-suite/epw_mob_polar/ph.in\nq-e-qe-7.5/test-suite/epw_mob_polar/pp.in\nq-e-qe-7.5/test-suite/epw_mob_polar/scf.in\nq-e-qe-7.5/test-suite/epw_pl/\nq-e-qe-7.5/test-suite/epw_pl/LGX.txt\nq-e-qe-7.5/test-suite/epw_pl/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_pl/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_pl/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_pl/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_pl/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_pl/epw1.in\nq-e-qe-7.5/test-suite/epw_pl/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_pl/ph.in\nq-e-qe-7.5/test-suite/epw_pl/pp.in\nq-e-qe-7.5/test-suite/epw_pl/qgrid.txt\nq-e-qe-7.5/test-suite/epw_pl/scf.in\nq-e-qe-7.5/test-suite/epw_pl/scf_epw.in\nq-e-qe-7.5/test-suite/epw_plrn/\nq-e-qe-7.5/test-suite/epw_plrn/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_plrn/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_plrn/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_plrn/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_plrn/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_plrn/epw1.in\nq-e-qe-7.5/test-suite/epw_plrn/epw2.in\nq-e-qe-7.5/test-suite/epw_plrn/nscf.in\nq-e-qe-7.5/test-suite/epw_plrn/ph.in\nq-e-qe-7.5/test-suite/epw_plrn/pp.in\nq-e-qe-7.5/test-suite/epw_plrn/scf.in\nq-e-qe-7.5/test-suite/epw_polar/\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_polar/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_polar/epw1.in\nq-e-qe-7.5/test-suite/epw_polar/epw3.in\nq-e-qe-7.5/test-suite/epw_polar/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_polar/ph.in\nq-e-qe-7.5/test-suite/epw_polar/pp.in\nq-e-qe-7.5/test-suite/epw_polar/scf.in\nq-e-qe-7.5/test-suite/epw_polar/scf_epw.in\nq-e-qe-7.5/test-suite/epw_qdpt/\nq-e-qe-7.5/test-suite/epw_qdpt/LGX.txt\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.5/test-suite/epw_qdpt/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_qdpt/epw1.in\nq-e-qe-7.5/test-suite/epw_qdpt/epw2.in\nq-e-qe-7.5/test-suite/epw_qdpt/epw2_no_elpa.in\nq-e-qe-7.5/test-suite/epw_qdpt/nscf.in\nq-e-qe-7.5/test-suite/epw_qdpt/ph.in\nq-e-qe-7.5/test-suite/epw_qdpt/pp.in\nq-e-qe-7.5/test-suite/epw_qdpt/pp.py\nq-e-qe-7.5/test-suite/epw_qdpt/q2r.in\nq-e-qe-7.5/test-suite/epw_qdpt/scf.in\nq-e-qe-7.5/test-suite/epw_soc/\nq-e-qe-7.5/test-suite/epw_soc/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_soc/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_soc/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_soc/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_soc/epw1.in\nq-e-qe-7.5/test-suite/epw_soc/epw2.in\nq-e-qe-7.5/test-suite/epw_soc/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_soc/ph.in\nq-e-qe-7.5/test-suite/epw_soc/pp.in\nq-e-qe-7.5/test-suite/epw_soc/save/\nq-e-qe-7.5/test-suite/epw_soc/save/ifc.q2r.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dvscf_q1\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dvscf_q2\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dvscf_q3\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dvscf_q4\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dyn_q1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dyn_q2.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dyn_q3.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.dyn_q4.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/control_ph.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/patterns.1.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/patterns.2.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/patterns.3.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/patterns.4.xml\nq-e-qe-7.5/test-suite/epw_soc/save/pb.phsave/status_run.xml\nq-e-qe-7.5/test-suite/epw_soc/scf.in\nq-e-qe-7.5/test-suite/epw_soc/scf_epw.in\nq-e-qe-7.5/test-suite/epw_super/\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=epw8.in.args=3\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=nscf2supercond.in.args=9\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=nscf_outerbands.in.args=1\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_super/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_super/epw1.in\nq-e-qe-7.5/test-suite/epw_super/epw2.in\nq-e-qe-7.5/test-suite/epw_super/epw3.in\nq-e-qe-7.5/test-suite/epw_super/epw4.in\nq-e-qe-7.5/test-suite/epw_super/epw5.in\nq-e-qe-7.5/test-suite/epw_super/epw6.in\nq-e-qe-7.5/test-suite/epw_super/epw7.in\nq-e-qe-7.5/test-suite/epw_super/epw8.in\nq-e-qe-7.5/test-suite/epw_super/nscf2supercond.in\nq-e-qe-7.5/test-suite/epw_super/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_super/nscf_outerbands.in\nq-e-qe-7.5/test-suite/epw_super/ph.in\nq-e-qe-7.5/test-suite/epw_super/pp.in\nq-e-qe-7.5/test-suite/epw_super/scf.in\nq-e-qe-7.5/test-suite/epw_super/scf_epw.in\nq-e-qe-7.5/test-suite/epw_tdbe/\nq-e-qe-7.5/test-suite/epw_tdbe/LGX.txt\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_tdbe/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_tdbe/epw1.in\nq-e-qe-7.5/test-suite/epw_tdbe/epw2.in\nq-e-qe-7.5/test-suite/epw_tdbe/epw3.in\nq-e-qe-7.5/test-suite/epw_tdbe/nscf.in\nq-e-qe-7.5/test-suite/epw_tdbe/ph.in\nq-e-qe-7.5/test-suite/epw_tdbe/pp.in\nq-e-qe-7.5/test-suite/epw_tdbe/scf.in\nq-e-qe-7.5/test-suite/epw_trev/\nq-e-qe-7.5/test-suite/epw_trev/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_trev/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_trev/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_trev/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_trev/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.5/test-suite/epw_trev/epw1.in\nq-e-qe-7.5/test-suite/epw_trev/nscf_epw.in\nq-e-qe-7.5/test-suite/epw_trev/ph.in\nq-e-qe-7.5/test-suite/epw_trev/pp.in\nq-e-qe-7.5/test-suite/epw_trev/scf.in\nq-e-qe-7.5/test-suite/epw_trev/scf_epw.in\nq-e-qe-7.5/test-suite/epw_trev_paw/\nq-e-qe-7.5/test-suite/epw_trev_paw/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_trev_paw/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_trev_paw/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_trev_paw/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_trev_paw/epw1.in\nq-e-qe-7.5/test-suite/epw_trev_paw/nscf.in\nq-e-qe-7.5/test-suite/epw_trev_paw/path.dat\nq-e-qe-7.5/test-suite/epw_trev_paw/pathq.dat\nq-e-qe-7.5/test-suite/epw_trev_paw/ph.in\nq-e-qe-7.5/test-suite/epw_trev_paw/pp.in\nq-e-qe-7.5/test-suite/epw_trev_paw/scf.in\nq-e-qe-7.5/test-suite/epw_trev_uspp/\nq-e-qe-7.5/test-suite/epw_trev_uspp/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/epw_trev_uspp/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/epw_trev_uspp/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_trev_uspp/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_trev_uspp/epw1.in\nq-e-qe-7.5/test-suite/epw_trev_uspp/nscf.in\nq-e-qe-7.5/test-suite/epw_trev_uspp/path.dat\nq-e-qe-7.5/test-suite/epw_trev_uspp/pathq.dat\nq-e-qe-7.5/test-suite/epw_trev_uspp/ph.in\nq-e-qe-7.5/test-suite/epw_trev_uspp/pp.in\nq-e-qe-7.5/test-suite/epw_trev_uspp/scf.in\nq-e-qe-7.5/test-suite/epw_wfpt/\nq-e-qe-7.5/test-suite/epw_wfpt/.gitignore\nq-e-qe-7.5/test-suite/epw_wfpt/README.md\nq-e-qe-7.5/test-suite/epw_wfpt/ahc1.in\nq-e-qe-7.5/test-suite/epw_wfpt/ahc2.in\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=ahc1.in.args=7\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=ahc2.in.args=7\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=epw11.in.args=3\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=epw12.in.args=3\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=epw21.in.args=3\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=epw22.in.args=3\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=epw23.in.args=3\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=matdyn.in.args=6\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=nscf1.in.args=1\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=nscf2.in.args=1\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.5/test-suite/epw_wfpt/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/epw_wfpt/epw11.in\nq-e-qe-7.5/test-suite/epw_wfpt/epw12.in\nq-e-qe-7.5/test-suite/epw_wfpt/epw21.in\nq-e-qe-7.5/test-suite/epw_wfpt/epw22.in\nq-e-qe-7.5/test-suite/epw_wfpt/epw23.in\nq-e-qe-7.5/test-suite/epw_wfpt/kpath.GammaX.txt\nq-e-qe-7.5/test-suite/epw_wfpt/matdyn.in\nq-e-qe-7.5/test-suite/epw_wfpt/nscf1.in\nq-e-qe-7.5/test-suite/epw_wfpt/nscf2.in\nq-e-qe-7.5/test-suite/epw_wfpt/ph.in\nq-e-qe-7.5/test-suite/epw_wfpt/postahc1.in\nq-e-qe-7.5/test-suite/epw_wfpt/postahc2.in\nq-e-qe-7.5/test-suite/epw_wfpt/pp.in\nq-e-qe-7.5/test-suite/epw_wfpt/q2r.in\nq-e-qe-7.5/test-suite/epw_wfpt/scf.in\nq-e-qe-7.5/test-suite/extract-all_currents.sh\nq-e-qe-7.5/test-suite/extract-cp.sh\nq-e-qe-7.5/test-suite/extract-epw.sh\nq-e-qe-7.5/test-suite/extract-hp.sh\nq-e-qe-7.5/test-suite/extract-image.sh\nq-e-qe-7.5/test-suite/extract-kcw.sh\nq-e-qe-7.5/test-suite/extract-oscdft-pp.sh\nq-e-qe-7.5/test-suite/extract-ph.sh\nq-e-qe-7.5/test-suite/extract-pioud.sh\nq-e-qe-7.5/test-suite/extract-pp.sh\nq-e-qe-7.5/test-suite/extract-pw.sh\nq-e-qe-7.5/test-suite/extract-tddfpt.sh\nq-e-qe-7.5/test-suite/extract-zg.sh\nq-e-qe-7.5/test-suite/gpu-resource-example.json\nq-e-qe-7.5/test-suite/hp_insulator_paw/\nq-e-qe-7.5/test-suite/hp_insulator_paw/BN.hp.in\nq-e-qe-7.5/test-suite/hp_insulator_paw/BN.scf.in\nq-e-qe-7.5/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/CrI3.hp.in\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/CrI3.scf.1.in\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/CrI3.scf.2.in\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.scf.1.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.scf.2.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_us/\nq-e-qe-7.5/test-suite/hp_insulator_us/LiCoO2.hp.in\nq-e-qe-7.5/test-suite/hp_insulator_us/LiCoO2.scf.in\nq-e-qe-7.5/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/LiCoO2.hp.in\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/LiCoO2.scf.in\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/NiO.hp.in\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/NiO.scf.1.in\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/NiO.scf.2.in\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=2\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=1\nq-e-qe-7.5/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=2\nq-e-qe-7.5/test-suite/hp_metal_paw_magn/\nq-e-qe-7.5/test-suite/hp_metal_paw_magn/Fe.hp.in\nq-e-qe-7.5/test-suite/hp_metal_paw_magn/Fe.scf.in\nq-e-qe-7.5/test-suite/hp_metal_paw_magn/benchmark.out.git.inp=Fe.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_metal_paw_magn/benchmark.out.git.inp=Fe.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_metal_paw_magn_intersiteV/\nq-e-qe-7.5/test-suite/hp_metal_paw_magn_intersiteV/LiNiO2.hp.in\nq-e-qe-7.5/test-suite/hp_metal_paw_magn_intersiteV/LiNiO2.scf.in\nq-e-qe-7.5/test-suite/hp_metal_paw_magn_intersiteV/benchmark.out.git.inp=LiNiO2.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_metal_paw_magn_intersiteV/benchmark.out.git.inp=LiNiO2.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_metal_us_magn/\nq-e-qe-7.5/test-suite/hp_metal_us_magn/Ni.hp.in\nq-e-qe-7.5/test-suite/hp_metal_us_magn/Ni.scf.in\nq-e-qe-7.5/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/bn.hp.in\nq-e-qe-7.5/test-suite/hp_soc_UV_paw_magn/bn.scf.in\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/au.hp.in\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/au.scf.in\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.hp.in.args=3\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.hp.in.args=4\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.scf.in.args=1\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.scf.in.args=2\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/bn.hp.in\nq-e-qe-7.5/test-suite/hp_soc_U_us_magn/bn.scf.in\nq-e-qe-7.5/test-suite/image_para/\nq-e-qe-7.5/test-suite/image_para/benchmark.out.git.inp=si.ph.in.args=2\nq-e-qe-7.5/test-suite/image_para/benchmark.out.git.inp=si.scf.in.args=1\nq-e-qe-7.5/test-suite/image_para/si.ph.in\nq-e-qe-7.5/test-suite/image_para/si.scf.in\nq-e-qe-7.5/test-suite/jobconfig\nq-e-qe-7.5/test-suite/kcw_ks/\nq-e-qe-7.5/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-ham.in.args=7\nq-e-qe-7.5/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-screen.in.args=16\nq-e-qe-7.5/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-wann2kcw.in.args=15\nq-e-qe-7.5/test-suite/kcw_ks/benchmark.out.git.inp=h2o.scf.in.args=1\nq-e-qe-7.5/test-suite/kcw_ks/h2o.kcw-ham.in\nq-e-qe-7.5/test-suite/kcw_ks/h2o.kcw-screen.in\nq-e-qe-7.5/test-suite/kcw_ks/h2o.kcw-wann2kcw.in\nq-e-qe-7.5/test-suite/kcw_ks/h2o.scf.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.kcw-ham.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.kcw-screen.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.kcw-wann2kcw.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.pw2wann.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.scf.in\nq-e-qe-7.5/test-suite/kcw_wann-nc/Si_nc.win\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-ham.in.args=7\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-screen.in.args=6\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-wann2kcw.in.args=5\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.pw2wann.in.args=3\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.scf.in.args=1\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.win.args=2\nq-e-qe-7.5/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.win.args=4\nq-e-qe-7.5/test-suite/kcw_wann/\nq-e-qe-7.5/test-suite/kcw_wann/Si.kcw-ham.in\nq-e-qe-7.5/test-suite/kcw_wann/Si.kcw-screen.in\nq-e-qe-7.5/test-suite/kcw_wann/Si.kcw-wann2kcw.in\nq-e-qe-7.5/test-suite/kcw_wann/Si.pw2wann.in\nq-e-qe-7.5/test-suite/kcw_wann/Si.scf.in\nq-e-qe-7.5/test-suite/kcw_wann/Si.win\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-ham.in.args=7\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-screen.in.args=6\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-wann2kcw.in.args=5\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.pw2wann.in.args=3\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.scf.in.args=1\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.win.args=2\nq-e-qe-7.5/test-suite/kcw_wann/benchmark.out.git.inp=Si.win.args=4\nq-e-qe-7.5/test-suite/kcw_wann_sym/\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.kcw-ham.in\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.kcw-screen.in\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.kcw-wann2kcw.in\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.pw2wann.in\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.scf.in\nq-e-qe-7.5/test-suite/kcw_wann_sym/Si.win\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-ham.in.args=7\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-screen.in.args=6\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-wann2kcw.in.args=5\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.pw2wann.in.args=3\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.scf.in.args=1\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.win.args=2\nq-e-qe-7.5/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.win.args=4\nq-e-qe-7.5/test-suite/noexe/\nq-e-qe-7.5/test-suite/noexe/benchmark.out.git.inp=langevin.in\nq-e-qe-7.5/test-suite/noexe/benchmark.out.git.inp=langevin_smc.in\nq-e-qe-7.5/test-suite/noexe/benchmark.out.git.inp=md_verlet_wall.in\nq-e-qe-7.5/test-suite/noexe/langevin.in\nq-e-qe-7.5/test-suite/noexe/langevin_smc.in\nq-e-qe-7.5/test-suite/noexe/md_verlet_wall.in\nq-e-qe-7.5/test-suite/not_epw_comp/\nq-e-qe-7.5/test-suite/not_epw_comp/epw1.in\nq-e-qe-7.5/test-suite/not_epw_comp/grid.py\nq-e-qe-7.5/test-suite/not_epw_comp/nscf_epw.in\nq-e-qe-7.5/test-suite/not_epw_comp/ph.in\nq-e-qe-7.5/test-suite/not_epw_comp/ph_epw.in\nq-e-qe-7.5/test-suite/not_epw_comp/scf.in\nq-e-qe-7.5/test-suite/not_epw_comp/scf_epw.in\nq-e-qe-7.5/test-suite/not_epw_scdm/\nq-e-qe-7.5/test-suite/not_epw_scdm/LGX.txt\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/not_epw_scdm/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/not_epw_scdm/epw1.in\nq-e-qe-7.5/test-suite/not_epw_scdm/epw2.in\nq-e-qe-7.5/test-suite/not_epw_scdm/epw3.in\nq-e-qe-7.5/test-suite/not_epw_scdm/nscf.in\nq-e-qe-7.5/test-suite/not_epw_scdm/ph.in\nq-e-qe-7.5/test-suite/not_epw_scdm/pp.in\nq-e-qe-7.5/test-suite/not_epw_scdm/scf.in\nq-e-qe-7.5/test-suite/oscdft_pp/\nq-e-qe-7.5/test-suite/oscdft_pp/benchmark.out.git.inp=normalize.in.args=3_normalize.oscdft.in_pw.in\nq-e-qe-7.5/test-suite/oscdft_pp/benchmark.out.git.inp=view.in.args=3_view.oscdft.in_pw.in\nq-e-qe-7.5/test-suite/oscdft_pp/normalize.in\nq-e-qe-7.5/test-suite/oscdft_pp/normalize.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pp/pw.in\nq-e-qe-7.5/test-suite/oscdft_pp/view.in\nq-e-qe-7.5/test-suite/oscdft_pp/view.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=k.in.args=2_k.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=nooscdft.in.args=1\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=normcons.in.args=2_normcons.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=relax.in.args=2_scf.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=scf.in.args=2_scf.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/benchmark.out.git.inp=view.in.args=2_view.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/k.in\nq-e-qe-7.5/test-suite/oscdft_pw/k.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/nooscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/normcons.in\nq-e-qe-7.5/test-suite/oscdft_pw/normcons.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/relax.in\nq-e-qe-7.5/test-suite/oscdft_pw/scf.in\nq-e-qe-7.5/test-suite/oscdft_pw/scf.oscdft.in\nq-e-qe-7.5/test-suite/oscdft_pw/view.in\nq-e-qe-7.5/test-suite/oscdft_pw/view.oscdft.in\nq-e-qe-7.5/test-suite/ph_1d/\nq-e-qe-7.5/test-suite/ph_1d/benchmark.out.git.inp=ch4.dynmat.in.args=9\nq-e-qe-7.5/test-suite/ph_1d/benchmark.out.git.inp=ch4.ph.in.args=2\nq-e-qe-7.5/test-suite/ph_1d/benchmark.out.git.inp=ch4.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_1d/ch4.dynmat.in\nq-e-qe-7.5/test-suite/ph_1d/ch4.ph.in\nq-e-qe-7.5/test-suite/ph_1d/ch4.scf.in\nq-e-qe-7.5/test-suite/ph_2d/\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=matdyn1.in.args=8\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=matdyn2.in.args=8\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=q2r1.in.args=3\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=q2r2.in.args=3\nq-e-qe-7.5/test-suite/ph_2d/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/ph_2d/matdyn1.in\nq-e-qe-7.5/test-suite/ph_2d/matdyn2.in\nq-e-qe-7.5/test-suite/ph_2d/ph.in\nq-e-qe-7.5/test-suite/ph_2d/q2r1.in\nq-e-qe-7.5/test-suite/ph_2d/q2r2.in\nq-e-qe-7.5/test-suite/ph_2d/scf.in\nq-e-qe-7.5/test-suite/ph_Ni_nc_spinorbit_mag/\nq-e-qe-7.5/test-suite/ph_Ni_nc_spinorbit_mag/Ni.ph.in\nq-e-qe-7.5/test-suite/ph_Ni_nc_spinorbit_mag/Ni.scf.in\nq-e-qe-7.5/test-suite/ph_Ni_nc_spinorbit_mag/benchmark.out.git.inp=Ni.ph.in.args=2\nq-e-qe-7.5/test-suite/ph_Ni_nc_spinorbit_mag/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/BN.phG.in\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/BN.phq.in\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/BN.scf.in\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.phq.in.args=2\nq-e-qe-7.5/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_U_insulator_us/\nq-e-qe-7.5/test-suite/ph_U_insulator_us/BN.phG.in\nq-e-qe-7.5/test-suite/ph_U_insulator_us/BN.phq.in\nq-e-qe-7.5/test-suite/ph_U_insulator_us/BN.scf.in\nq-e-qe-7.5/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.phq.in.args=2\nq-e-qe-7.5/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_U_metal_paw/\nq-e-qe-7.5/test-suite/ph_U_metal_paw/Ni.phq.in\nq-e-qe-7.5/test-suite/ph_U_metal_paw/Ni.scf.in\nq-e-qe-7.5/test-suite/ph_U_metal_paw/benchmark.out.git.inp=Ni.phq.in.args=2\nq-e-qe-7.5/test-suite/ph_U_metal_paw/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_U_metal_us/\nq-e-qe-7.5/test-suite/ph_U_metal_us/Fe.ph.in\nq-e-qe-7.5/test-suite/ph_U_metal_us/Fe.scf.in\nq-e-qe-7.5/test-suite/ph_U_metal_us/benchmark.out.git.inp=Fe.ph.in.args=2\nq-e-qe-7.5/test-suite/ph_U_metal_us/benchmark.out.git.inp=Fe.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_bas/\nq-e-qe-7.5/test-suite/ph_ahc_bas/.gitignore\nq-e-qe-7.5/test-suite/ph_ahc_bas/ahc1.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/ahc2.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc1.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc2.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=dvscfq2r.in.args=6\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=matdyn1.in.args=4\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=matdyn2.in.args=4\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=postahc1.in.args=7\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=postahc2.in.args=7\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=q2r.in.args=3\nq-e-qe-7.5/test-suite/ph_ahc_bas/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_bas/dvscfq2r.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/matdyn1.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/matdyn2.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/nscf.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/ph.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/postahc1.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/postahc2.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/q2r.in\nq-e-qe-7.5/test-suite/ph_ahc_bas/scf.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/\nq-e-qe-7.5/test-suite/ph_ahc_diam/.gitignore\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc1.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc2.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc3.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.dvscfq2r.doneutral.in.args=6\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.dvscfq2r.in.args=6\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn1.in.args=4\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn2.in.args=4\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn3.in.args=4\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.nscf.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.nscf.nosym.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ph.in.args=2\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc1.in.args=7\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc2.in.args=7\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc3.in.args=7\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.q2r.in.args=3\nq-e-qe-7.5/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.ahc1.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.ahc2.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.ahc3.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.dvscfq2r.doneutral.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.dvscfq2r.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.matdyn1.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.matdyn2.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.matdyn3.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.nscf.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.nscf.nosym.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.ph.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.postahc1.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.postahc2.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.postahc3.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.q2r.in\nq-e-qe-7.5/test-suite/ph_ahc_diam/diam.scf.in\nq-e-qe-7.5/test-suite/ph_base/\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=c.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=c.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=ni.phX.in.args=2\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=ni.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=nipaw.phX.in.args=2\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=nipaw.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=si.ph.in.args=8\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=si.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=si.phX.in.args=2\nq-e-qe-7.5/test-suite/ph_base/benchmark.out.git.inp=si.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_base/c.phG.in\nq-e-qe-7.5/test-suite/ph_base/c.scf.in\nq-e-qe-7.5/test-suite/ph_base/ni.phX.in\nq-e-qe-7.5/test-suite/ph_base/ni.scf.in\nq-e-qe-7.5/test-suite/ph_base/nipaw.phX.in\nq-e-qe-7.5/test-suite/ph_base/nipaw.scf.in\nq-e-qe-7.5/test-suite/ph_base/si.phG.in\nq-e-qe-7.5/test-suite/ph_base/si.phX.in\nq-e-qe-7.5/test-suite/ph_base/si.scf.in\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/O2.phG.in\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/O2.scf.1.in\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/O2.scf.2.in\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.scf.1.in.args=1\nq-e-qe-7.5/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.scf.2.in.args=1\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/NiO.phG.in\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/NiO.scf.1.in\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/NiO.scf.2.in\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=1\nq-e-qe-7.5/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=1\nq-e-qe-7.5/test-suite/ph_interpol_metal/\nq-e-qe-7.5/test-suite/ph_interpol_metal/al.dvscfq2r.in\nq-e-qe-7.5/test-suite/ph_interpol_metal/al.elph.in\nq-e-qe-7.5/test-suite/ph_interpol_metal/al.elph.interpol.in\nq-e-qe-7.5/test-suite/ph_interpol_metal/al.ph.in\nq-e-qe-7.5/test-suite/ph_interpol_metal/al.scf.in\nq-e-qe-7.5/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.dvscfq2r.in.args=6\nq-e-qe-7.5/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.elph.in.args=2\nq-e-qe-7.5/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.elph.interpol.in.args=2\nq-e-qe-7.5/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.ph.in.args=2\nq-e-qe-7.5/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_metal/\nq-e-qe-7.5/test-suite/ph_metal/al.elph.in\nq-e-qe-7.5/test-suite/ph_metal/al.elph.notrans.in\nq-e-qe-7.5/test-suite/ph_metal/al.scf.fit.in\nq-e-qe-7.5/test-suite/ph_metal/al.scf.in\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=al.elph.in.args=2\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=al.elph.notrans.in.args=2\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=al.scf.fit.in.args=1\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=al.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=lambda.in.args=5\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=matdyn.in.dos.args=4\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=matdyn.in.freq.args=4\nq-e-qe-7.5/test-suite/ph_metal/benchmark.out.git.inp=q2r.in.args=3\nq-e-qe-7.5/test-suite/ph_metal/lambda.in\nq-e-qe-7.5/test-suite/ph_metal/matdyn.in.dos\nq-e-qe-7.5/test-suite/ph_metal/matdyn.in.freq\nq-e-qe-7.5/test-suite/ph_metal/q2r.in\nq-e-qe-7.5/test-suite/ph_multipole/\nq-e-qe-7.5/test-suite/ph_multipole/README.txt\nq-e-qe-7.5/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.01.args=2\nq-e-qe-7.5/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.02.args=2\nq-e-qe-7.5/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.03.args=2\nq-e-qe-7.5/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.04.args=13\nq-e-qe-7.5/test-suite/ph_multipole/benchmark.out.git.inp=scf.in.args=12\nq-e-qe-7.5/test-suite/ph_multipole/multipole.py\nq-e-qe-7.5/test-suite/ph_multipole/ph.in\nq-e-qe-7.5/test-suite/ph_multipole/ph.in.01\nq-e-qe-7.5/test-suite/ph_multipole/ph.in.02\nq-e-qe-7.5/test-suite/ph_multipole/ph.in.03\nq-e-qe-7.5/test-suite/ph_multipole/ph.in.04\nq-e-qe-7.5/test-suite/ph_multipole/scf.in\nq-e-qe-7.5/test-suite/ph_restart/\nq-e-qe-7.5/test-suite/ph_restart/SiC.phG.in\nq-e-qe-7.5/test-suite/ph_restart/SiC.phG.restart1.in\nq-e-qe-7.5/test-suite/ph_restart/SiC.phG.restart2.in\nq-e-qe-7.5/test-suite/ph_restart/SiC.phG.restart3.in\nq-e-qe-7.5/test-suite/ph_restart/SiC.phG.restart4.in\nq-e-qe-7.5/test-suite/ph_restart/SiC.scf.in\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.in.args=2\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart1.in.args=2\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart2.in.args=2\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart3.in.args=2\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart4.in.args=2\nq-e-qe-7.5/test-suite/ph_restart/benchmark.out.git.inp=SiC.scf.in.args=1\nq-e-qe-7.5/test-suite/ph_twochem/\nq-e-qe-7.5/test-suite/ph_twochem/benchmark.out.git.inp=phG_twochem.in.args=11\nq-e-qe-7.5/test-suite/ph_twochem/benchmark.out.git.inp=scf_twochem.in.args=1\nq-e-qe-7.5/test-suite/ph_twochem/phG_twochem.in\nq-e-qe-7.5/test-suite/ph_twochem/scf_twochem.in\nq-e-qe-7.5/test-suite/pioud_diamond/\nq-e-qe-7.5/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_ceriotti.in\nq-e-qe-7.5/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_pimd.in\nq-e-qe-7.5/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_verlet.in\nq-e-qe-7.5/test-suite/pioud_diamond/diamond_ceriotti.in\nq-e-qe-7.5/test-suite/pioud_diamond/diamond_pimd.in\nq-e-qe-7.5/test-suite/pioud_diamond/diamond_verlet.in\nq-e-qe-7.5/test-suite/pp_acf/\nq-e-qe-7.5/test-suite/pp_acf/benchmark.out.git.inp=ppacf_fock.in.args=2\nq-e-qe-7.5/test-suite/pp_acf/benchmark.out.git.inp=scf_vdw.in.args=1\nq-e-qe-7.5/test-suite/pp_acf/ppacf_fock.in\nq-e-qe-7.5/test-suite/pp_acf/scf_vdw.in\nq-e-qe-7.5/test-suite/pw_atom/\nq-e-qe-7.5/test-suite/pw_atom/atom-lsda.in\nq-e-qe-7.5/test-suite/pw_atom/atom-occ1.in\nq-e-qe-7.5/test-suite/pw_atom/atom-occ2.in\nq-e-qe-7.5/test-suite/pw_atom/atom-pbe.in\nq-e-qe-7.5/test-suite/pw_atom/atom-sigmapbe.in\nq-e-qe-7.5/test-suite/pw_atom/atom.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom-lsda.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom-occ1.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom-occ2.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom-pbe.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom-sigmapbe.in\nq-e-qe-7.5/test-suite/pw_atom/benchmark.out.git.inp=atom.in\nq-e-qe-7.5/test-suite/pw_b3lyp/\nq-e-qe-7.5/test-suite/pw_b3lyp/b3lyp-O.in\nq-e-qe-7.5/test-suite/pw_b3lyp/b3lyp-h2o.in\nq-e-qe-7.5/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-O.in\nq-e-qe-7.5/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-h2o.in\nq-e-qe-7.5/test-suite/pw_b3lyp/benchmark.out.git.inp=x3lyp-O.in\nq-e-qe-7.5/test-suite/pw_b3lyp/benchmark.out.git.inp=x3lyp-h2o.in\nq-e-qe-7.5/test-suite/pw_b3lyp/x3lyp-O.in\nq-e-qe-7.5/test-suite/pw_b3lyp/x3lyp-h2o.in\nq-e-qe-7.5/test-suite/pw_berry/\nq-e-qe-7.5/test-suite/pw_berry/benchmark.out.git.inp=berry-1.in\nq-e-qe-7.5/test-suite/pw_berry/benchmark.out.git.inp=berry-2.in\nq-e-qe-7.5/test-suite/pw_berry/benchmark.out.git.inp=berry.in\nq-e-qe-7.5/test-suite/pw_berry/berry-1.in\nq-e-qe-7.5/test-suite/pw_berry/berry-2.in\nq-e-qe-7.5/test-suite/pw_berry/berry.in\nq-e-qe-7.5/test-suite/pw_cluster/\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster1.in\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster2.in\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster3.in\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster4.in\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster5.in\nq-e-qe-7.5/test-suite/pw_cluster/benchmark.out.git.inp=cluster6.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster1.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster2.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster3.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster4.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster5.in\nq-e-qe-7.5/test-suite/pw_cluster/cluster6.in\nq-e-qe-7.5/test-suite/pw_dft/\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft1.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft10.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft11.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft2.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft3.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft4.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft5.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft6.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft7.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft8.in\nq-e-qe-7.5/test-suite/pw_dft/benchmark.out.git.inp=dft9.in\nq-e-qe-7.5/test-suite/pw_dft/dft1.in\nq-e-qe-7.5/test-suite/pw_dft/dft10.in\nq-e-qe-7.5/test-suite/pw_dft/dft11.in\nq-e-qe-7.5/test-suite/pw_dft/dft2.in\nq-e-qe-7.5/test-suite/pw_dft/dft3.in\nq-e-qe-7.5/test-suite/pw_dft/dft4.in\nq-e-qe-7.5/test-suite/pw_dft/dft5.in\nq-e-qe-7.5/test-suite/pw_dft/dft6.in\nq-e-qe-7.5/test-suite/pw_dft/dft7.in\nq-e-qe-7.5/test-suite/pw_dft/dft8.in\nq-e-qe-7.5/test-suite/pw_dft/dft9.in\nq-e-qe-7.5/test-suite/pw_dipole/\nq-e-qe-7.5/test-suite/pw_dipole/2dcutoff.in\nq-e-qe-7.5/test-suite/pw_dipole/benchmark.out.git.inp=2dcutoff.in\nq-e-qe-7.5/test-suite/pw_dipole/benchmark.out.git.inp=dipole.in\nq-e-qe-7.5/test-suite/pw_dipole/dipole.in\nq-e-qe-7.5/test-suite/pw_electric/\nq-e-qe-7.5/test-suite/pw_electric/benchmark.out.git.inp=electric-1.in\nq-e-qe-7.5/test-suite/pw_electric/benchmark.out.git.inp=electric-2.in\nq-e-qe-7.5/test-suite/pw_electric/benchmark.out.git.inp=electric.in\nq-e-qe-7.5/test-suite/pw_electric/electric-1.in\nq-e-qe-7.5/test-suite/pw_electric/electric-2.in\nq-e-qe-7.5/test-suite/pw_electric/electric.in\nq-e-qe-7.5/test-suite/pw_eval/\nq-e-qe-7.5/test-suite/pw_eval/benchmark.out.git.inp=eval_infix-2.in\nq-e-qe-7.5/test-suite/pw_eval/benchmark.out.git.inp=eval_infix.in\nq-e-qe-7.5/test-suite/pw_eval/eval_infix-2.in\nq-e-qe-7.5/test-suite/pw_eval/eval_infix.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/\nq-e-qe-7.5/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si111.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si222.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si444.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/gau-pbe-si111.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/gau-pbe-si222.in\nq-e-qe-7.5/test-suite/pw_gau-pbe/gau-pbe-si444.in\nq-e-qe-7.5/test-suite/pw_hse/\nq-e-qe-7.5/test-suite/pw_hse/benchmark.out.git.inp=hse-si111.in\nq-e-qe-7.5/test-suite/pw_hse/benchmark.out.git.inp=hse-si222.in\nq-e-qe-7.5/test-suite/pw_hse/benchmark.out.git.inp=hse-si444.in\nq-e-qe-7.5/test-suite/pw_hse/hse-si111.in\nq-e-qe-7.5/test-suite/pw_hse/hse-si222.in\nq-e-qe-7.5/test-suite/pw_hse/hse-si444.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-12-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-12.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-3-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-3.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-5-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-5.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters+a.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters+celldm.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters-ang.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav1-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav1.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav10-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav10.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav11-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav11.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav12-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav12.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav13-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav13.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav14-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav14.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav2-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav2.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav3-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav3.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav4-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav4.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav5-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav5.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav6-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav6.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav7-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav7.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav8-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav8.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav9-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav9.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-wyckoff-sio2.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-12-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-12.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-3-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-3.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-5-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav-5.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters+a.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters+celldm.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters-ang.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav1-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav1.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav10-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav10.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav11-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav11.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav12-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav12.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav13-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav13.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav14-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav14.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav2-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav2.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav3-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav3.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav4-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav4.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav5-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav5.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav6-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav6.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav7-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav7.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav8-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav8.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav9-kauto.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-ibrav9.in\nq-e-qe-7.5/test-suite/pw_lattice-ibrav/lattice-wyckoff-sio2.in\nq-e-qe-7.5/test-suite/pw_lda+U/\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+J0.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V-user_ns.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_background.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_force_stress_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_noncol_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U-noU.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U-user_ns.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_background_one_channel.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_background_two_channels.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_force.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_force_stress_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_gamma.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_kind1_collin.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_kind1_noncollin.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_noncol_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_orbital_resolved.in\nq-e-qe-7.5/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_pseudo.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U+J0.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U+V-user_ns.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U+V_background.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U+V_force_stress_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U+V_noncol_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U-noU.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U-noU.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U-user_ns.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U-user_ns.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_background_one_channel.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_background_two_channels.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_force.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_force.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_force_stress_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_gamma.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_gamma.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_kind1_collin.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_kind1_noncollin.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_noncol_ortho.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_orbital_resolved.in\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_orbital_resolved.ref\nq-e-qe-7.5/test-suite/pw_lda+U/lda+U_pseudo.in\nq-e-qe-7.5/test-suite/pw_libxc/\nq-e-qe-7.5/test-suite/pw_libxc/benchmark.out.git.inp=gga_unpol_atom-pbe.in\nq-e-qe-7.5/test-suite/pw_libxc/benchmark.out.git.inp=hyb_gga_unpol_hse-si111.in\nq-e-qe-7.5/test-suite/pw_libxc/benchmark.out.git.inp=lda_pol_atom-lsda.in\nq-e-qe-7.5/test-suite/pw_libxc/benchmark.out.git.inp=mgga_unpol_metaGGA.in\nq-e-qe-7.5/test-suite/pw_libxc/gga_unpol_atom-pbe.in\nq-e-qe-7.5/test-suite/pw_libxc/hyb_gga_unpol_hse-si111.in\nq-e-qe-7.5/test-suite/pw_libxc/lda_pol_atom-lsda.in\nq-e-qe-7.5/test-suite/pw_libxc/mgga_unpol_metaGGA.in\nq-e-qe-7.5/test-suite/pw_lsda/\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-2.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-cg.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-nelup+neldw.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda-tot_magnetization.in\nq-e-qe-7.5/test-suite/pw_lsda/benchmark.out.git.inp=lsda.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-2.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-cg.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-nelup+neldw.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda-tot_magnetization.in\nq-e-qe-7.5/test-suite/pw_lsda/lsda.in\nq-e-qe-7.5/test-suite/pw_md/\nq-e-qe-7.5/test-suite/pw_md/CMakeLists.txt\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap1.in\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap1.in.args=1\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap2.in\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap2.in.args=2\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-wfc_extrap1.in.args=1\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md-wfc_extrap2.in.args=2\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md.in.args=1\nq-e-qe-7.5/test-suite/pw_md/benchmark.out.git.inp=md_restart_verlet.in.args=22\nq-e-qe-7.5/test-suite/pw_md/md-pot_extrap1.in\nq-e-qe-7.5/test-suite/pw_md/md-pot_extrap2.in\nq-e-qe-7.5/test-suite/pw_md/md-wfc_extrap1.in\nq-e-qe-7.5/test-suite/pw_md/md-wfc_extrap2.in\nq-e-qe-7.5/test-suite/pw_md/md.in\nq-e-qe-7.5/test-suite/pw_md/md_restart_verlet.in\nq-e-qe-7.5/test-suite/pw_md/md_restart_verlet_original.md\nq-e-qe-7.5/test-suite/pw_metaGGA/\nq-e-qe-7.5/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-1.in\nq-e-qe-7.5/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-2.in\nq-e-qe-7.5/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-spin.in\nq-e-qe-7.5/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA.in\nq-e-qe-7.5/test-suite/pw_metaGGA/metaGGA-1.in\nq-e-qe-7.5/test-suite/pw_metaGGA/metaGGA-2.in\nq-e-qe-7.5/test-suite/pw_metaGGA/metaGGA-spin.in\nq-e-qe-7.5/test-suite/pw_metaGGA/metaGGA.in\nq-e-qe-7.5/test-suite/pw_metal/\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-2.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-fermi_dirac.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-gaussian.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra-1.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra-2.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra.in\nq-e-qe-7.5/test-suite/pw_metal/benchmark.out.git.inp=metal.in\nq-e-qe-7.5/test-suite/pw_metal/metal-2.in\nq-e-qe-7.5/test-suite/pw_metal/metal-fermi_dirac.in\nq-e-qe-7.5/test-suite/pw_metal/metal-gaussian.in\nq-e-qe-7.5/test-suite/pw_metal/metal-tetrahedra-1.in\nq-e-qe-7.5/test-suite/pw_metal/metal-tetrahedra-2.in\nq-e-qe-7.5/test-suite/pw_metal/metal-tetrahedra.in\nq-e-qe-7.5/test-suite/pw_metal/metal.in\nq-e-qe-7.5/test-suite/pw_noncolin/\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-1.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-2.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-cg.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_angle.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_atomic.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_total.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-hyb.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-pbe.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-rmm.in\nq-e-qe-7.5/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-1.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-2.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-cg.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-constrain_angle.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-constrain_atomic.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-constrain_total.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-hyb.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-pbe.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin-rmm.in\nq-e-qe-7.5/test-suite/pw_noncolin/noncolin.in\nq-e-qe-7.5/test-suite/pw_pawatom/\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_l=2.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_lda.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_spin.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_spin_lda.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_tqr.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-bfgs.in\nq-e-qe-7.5/test-suite/pw_pawatom/benchmark.out.git.inp=paw-vcbfgs.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom_l=2.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom_lda.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom_spin.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom_spin_lda.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-atom_tqr.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-bfgs.in\nq-e-qe-7.5/test-suite/pw_pawatom/paw-vcbfgs.in\nq-e-qe-7.5/test-suite/pw_pbe/\nq-e-qe-7.5/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si111.in\nq-e-qe-7.5/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si222.in\nq-e-qe-7.5/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si444.in\nq-e-qe-7.5/test-suite/pw_pbe/benchmark.out.git.inp=pbeq2d.in\nq-e-qe-7.5/test-suite/pw_pbe/pbe0-si111.in\nq-e-qe-7.5/test-suite/pw_pbe/pbe0-si222.in\nq-e-qe-7.5/test-suite/pw_pbe/pbe0-si444.in\nq-e-qe-7.5/test-suite/pw_pbe/pbeq2d.in\nq-e-qe-7.5/test-suite/pw_plugins/\nq-e-qe-7.5/test-suite/pw_plugins/benchmark.out.git.inp=plugin-pw2casino_1.in.args=48\nq-e-qe-7.5/test-suite/pw_plugins/benchmark.out.git.inp=plugin-pw2casino_2.in.args=48\nq-e-qe-7.5/test-suite/pw_plugins/plugin-pw2casino_1.in\nq-e-qe-7.5/test-suite/pw_plugins/plugin-pw2casino_2.in\nq-e-qe-7.5/test-suite/pw_realspace/\nq-e-qe-7.5/test-suite/pw_realspace/benchmark.out.git.inp=cluster_gs.in\nq-e-qe-7.5/test-suite/pw_realspace/benchmark.out.git.inp=cluster_gs50.in\nq-e-qe-7.5/test-suite/pw_realspace/benchmark.out.git.inp=cluster_rs.in\nq-e-qe-7.5/test-suite/pw_realspace/benchmark.out.git.inp=cluster_rs50.in\nq-e-qe-7.5/test-suite/pw_realspace/cluster_gs.in\nq-e-qe-7.5/test-suite/pw_realspace/cluster_gs50.in\nq-e-qe-7.5/test-suite/pw_realspace/cluster_rs.in\nq-e-qe-7.5/test-suite/pw_realspace/cluster_rs50.in\nq-e-qe-7.5/test-suite/pw_relax/\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax-damped.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax-el.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax-extfor.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax-fire.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax2-bfgs_ndim3.in\nq-e-qe-7.5/test-suite/pw_relax/benchmark.out.git.inp=relax2.in\nq-e-qe-7.5/test-suite/pw_relax/relax-damped.in\nq-e-qe-7.5/test-suite/pw_relax/relax-el.in\nq-e-qe-7.5/test-suite/pw_relax/relax-extfor.in\nq-e-qe-7.5/test-suite/pw_relax/relax-fire.in\nq-e-qe-7.5/test-suite/pw_relax/relax.in\nq-e-qe-7.5/test-suite/pw_relax/relax2-bfgs_ndim3.in\nq-e-qe-7.5/test-suite/pw_relax/relax2.in\nq-e-qe-7.5/test-suite/pw_scf/\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-1.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-2.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-allfrac.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-cg-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-cg.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io-1.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io-2.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-gth.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-k0.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-kauto.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-kcrys.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_beta.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-ncpp.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-nofrac.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-occ.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-paro-k.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-k.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-paro-k.in\nq-e-qe-7.5/test-suite/pw_scf/benchmark.out.git.inp=scf.in\nq-e-qe-7.5/test-suite/pw_scf/scf-1.in\nq-e-qe-7.5/test-suite/pw_scf/scf-2.in\nq-e-qe-7.5/test-suite/pw_scf/scf-allfrac.in\nq-e-qe-7.5/test-suite/pw_scf/scf-cg-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/scf-cg.in\nq-e-qe-7.5/test-suite/pw_scf/scf-disk_io-1.in\nq-e-qe-7.5/test-suite/pw_scf/scf-disk_io-2.in\nq-e-qe-7.5/test-suite/pw_scf/scf-disk_io.in\nq-e-qe-7.5/test-suite/pw_scf/scf-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/scf-gth.in\nq-e-qe-7.5/test-suite/pw_scf/scf-k0.in\nq-e-qe-7.5/test-suite/pw_scf/scf-kauto.in\nq-e-qe-7.5/test-suite/pw_scf/scf-kcrys.in\nq-e-qe-7.5/test-suite/pw_scf/scf-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_scf/scf-mixing_beta.in\nq-e-qe-7.5/test-suite/pw_scf/scf-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_scf/scf-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_scf/scf-ncpp.in\nq-e-qe-7.5/test-suite/pw_scf/scf-nofrac.in\nq-e-qe-7.5/test-suite/pw_scf/scf-occ.in\nq-e-qe-7.5/test-suite/pw_scf/scf-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/scf-paro-k.in\nq-e-qe-7.5/test-suite/pw_scf/scf-rmm-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/scf-rmm-k.in\nq-e-qe-7.5/test-suite/pw_scf/scf-rmm-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_scf/scf-rmm-paro-k.in\nq-e-qe-7.5/test-suite/pw_scf/scf.in\nq-e-qe-7.5/test-suite/pw_spinorbit/\nq-e-qe-7.5/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-1.in\nq-e-qe-7.5/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-3.in\nq-e-qe-7.5/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-paw.in\nq-e-qe-7.5/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-pbe.in\nq-e-qe-7.5/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit.in\nq-e-qe-7.5/test-suite/pw_spinorbit/spinorbit-1.in\nq-e-qe-7.5/test-suite/pw_spinorbit/spinorbit-3.in\nq-e-qe-7.5/test-suite/pw_spinorbit/spinorbit-paw.in\nq-e-qe-7.5/test-suite/pw_spinorbit/spinorbit-pbe.in\nq-e-qe-7.5/test-suite/pw_spinorbit/spinorbit.in\nq-e-qe-7.5/test-suite/pw_twochem/\nq-e-qe-7.5/test-suite/pw_twochem/benchmark.out.git.inp=nscf_twochem.in.args=2\nq-e-qe-7.5/test-suite/pw_twochem/benchmark.out.git.inp=relax_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/benchmark.out.git.inp=scf_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/benchmark.out.git.inp=vc-relax_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/nscf_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/relax_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/scf_twochem.in\nq-e-qe-7.5/test-suite/pw_twochem/vc-relax_twochem.in\nq-e-qe-7.5/test-suite/pw_uspp/\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-2.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-cg-gamma.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-cg.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-g.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-k.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-paro-k.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp-singlegrid.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp1-coulomb.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp1.in\nq-e-qe-7.5/test-suite/pw_uspp/benchmark.out.git.inp=uspp2.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-2.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-cg-gamma.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-cg.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-hyb-g.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-hyb-k.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-mixing_TF.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-mixing_localTF.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-mixing_ndim.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-paro-gamma.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-paro-k.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp-singlegrid.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp1-coulomb.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp1.in\nq-e-qe-7.5/test-suite/pw_uspp/uspp2.in\nq-e-qe-7.5/test-suite/pw_vc-relax/\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-md1.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-md2.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax1.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax2.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax3.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax4.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax5.in\nq-e-qe-7.5/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax6.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-md1.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-md2.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax1.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax2.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax3.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax4.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax5.in\nq-e-qe-7.5/test-suite/pw_vc-relax/vc-relax6.in\nq-e-qe-7.5/test-suite/pw_vdw/\nq-e-qe-7.5/test-suite/pw_vdw/beef-spin.in\nq-e-qe-7.5/test-suite/pw_vdw/beef.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=beef-spin.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=beef.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=rVV10.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdW-DF3-opt1.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdW-DF3-opt2.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdw-d2.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdw-d3.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdw-mbd-vc-relax.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdw-mbd.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=vdw-ts.in\nq-e-qe-7.5/test-suite/pw_vdw/benchmark.out.git.inp=xdm.in\nq-e-qe-7.5/test-suite/pw_vdw/rVV10.in\nq-e-qe-7.5/test-suite/pw_vdw/vdW-DF3-opt1.in\nq-e-qe-7.5/test-suite/pw_vdw/vdW-DF3-opt2.in\nq-e-qe-7.5/test-suite/pw_vdw/vdw-d2.in\nq-e-qe-7.5/test-suite/pw_vdw/vdw-d3.in\nq-e-qe-7.5/test-suite/pw_vdw/vdw-mbd-vc-relax.in\nq-e-qe-7.5/test-suite/pw_vdw/vdw-mbd.in\nq-e-qe-7.5/test-suite/pw_vdw/vdw-ts.in\nq-e-qe-7.5/test-suite/pw_vdw/xdm.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-gamma-restart-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-gamma-restart-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-k-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-k-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-gamma-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-gamma-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-restart-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-restart-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-smearing-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-smearing-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/ncpp-gamma-restart-1.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/ncpp-gamma-restart-2.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/ncpp-k-1.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/ncpp-k-2.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-gamma-1.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-gamma-2.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-k-restart-1.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-k-restart-2.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-k-smearing-1.in\nq-e-qe-7.5/test-suite/pw_workflow_exx_nscf/uspp-k-smearing-2.in\nq-e-qe-7.5/test-suite/pw_workflow_relax_relax/\nq-e-qe-7.5/test-suite/pw_workflow_relax_relax/benchmark.out.git.inp=relax-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_relax_relax/benchmark.out.git.inp=relax-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_relax_relax/relax-1.in\nq-e-qe-7.5/test-suite/pw_workflow_relax_relax/relax-2.in\nq-e-qe-7.5/test-suite/pw_workflow_scf_dos/\nq-e-qe-7.5/test-suite/pw_workflow_scf_dos/benchmark.out.git.inp=scf-dos-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_scf_dos/benchmark.out.git.inp=scf-dos-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_scf_dos/scf-dos-1.in\nq-e-qe-7.5/test-suite/pw_workflow_scf_dos/scf-dos-2.in\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_dos/\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_dos/benchmark.out.git.inp=vc-relax-dos-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_dos/benchmark.out.git.inp=vc-relax-dos-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_dos/vc-relax-dos-1.in\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_dos/vc-relax-dos-2.in\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/benchmark.out.git.inp=vc-relax-scf-1.in.args=1\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/benchmark.out.git.inp=vc-relax-scf-2.in.args=2\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-1.expected_exit_msg\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-1.in\nq-e-qe-7.5/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-2.in\nq-e-qe-7.5/test-suite/run-all_currents.sh\nq-e-qe-7.5/test-suite/run-cp.sh\nq-e-qe-7.5/test-suite/run-epw.sh\nq-e-qe-7.5/test-suite/run-hp.sh\nq-e-qe-7.5/test-suite/run-image.sh\nq-e-qe-7.5/test-suite/run-kcw.sh\nq-e-qe-7.5/test-suite/run-oscdft.sh\nq-e-qe-7.5/test-suite/run-ph.sh\nq-e-qe-7.5/test-suite/run-pioud.sh\nq-e-qe-7.5/test-suite/run-pp.sh\nq-e-qe-7.5/test-suite/run-pw.sh\nq-e-qe-7.5/test-suite/run-tddfpt.sh\nq-e-qe-7.5/test-suite/run-zg.sh\nq-e-qe-7.5/test-suite/tddfpt_CH4/\nq-e-qe-7.5/test-suite/tddfpt_CH4/CH4.pw.in\nq-e-qe-7.5/test-suite/tddfpt_CH4/CH4.tddfpt.in\nq-e-qe-7.5/test-suite/tddfpt_CH4/CH4.tddfpt_pp.in\nq-e-qe-7.5/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.pw.in.args=1\nq-e-qe-7.5/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.tddfpt.in.args=2\nq-e-qe-7.5/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.tddfpt_pp.in.args=3\nq-e-qe-7.5/test-suite/tddfpt_eels-si/\nq-e-qe-7.5/test-suite/tddfpt_eels-si/Si.pw.in\nq-e-qe-7.5/test-suite/tddfpt_eels-si/Si.tddfpt-eels.in\nq-e-qe-7.5/test-suite/tddfpt_eels-si/Si.tddfpt_pp_eels.in\nq-e-qe-7.5/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.pw.in.args=1\nq-e-qe-7.5/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.tddfpt-eels.in.args=5\nq-e-qe-7.5/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.tddfpt_pp_eels.in.args=4\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/Fe.pw.in\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/Fe.tddfpt-magnons.in\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/Fe.tddfpt_pp_magnons.in\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.pw.in.args=1\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.tddfpt-magnons.in.args=6\nq-e-qe-7.5/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.tddfpt_pp_magnons.in.args=7\nq-e-qe-7.5/test-suite/testcode/\nq-e-qe-7.5/test-suite/testcode/LICENSE\nq-e-qe-7.5/test-suite/testcode/README.rst\nq-e-qe-7.5/test-suite/testcode/bin/\nq-e-qe-7.5/test-suite/testcode/bin/testcode.py\nq-e-qe-7.5/test-suite/testcode/docs/\nq-e-qe-7.5/test-suite/testcode/docs/.static/\nq-e-qe-7.5/test-suite/testcode/docs/.static/dummy_file\nq-e-qe-7.5/test-suite/testcode/docs/.templates/\nq-e-qe-7.5/test-suite/testcode/docs/.templates/dummy_file\nq-e-qe-7.5/test-suite/testcode/docs/Makefile\nq-e-qe-7.5/test-suite/testcode/docs/conf.py\nq-e-qe-7.5/test-suite/testcode/docs/configuration_files.rst\nq-e-qe-7.5/test-suite/testcode/docs/index.rst\nq-e-qe-7.5/test-suite/testcode/docs/installation.rst\nq-e-qe-7.5/test-suite/testcode/docs/jobconfig.rst\nq-e-qe-7.5/test-suite/testcode/docs/testcode.py.rst\nq-e-qe-7.5/test-suite/testcode/docs/userconfig.rst\nq-e-qe-7.5/test-suite/testcode/docs/verification.rst\nq-e-qe-7.5/test-suite/testcode/lib/\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/__init__.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/_functools_dummy.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/ansi.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/compatibility.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/config.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/dir_lock.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/exceptions.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/queues.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/util.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/validation.py\nq-e-qe-7.5/test-suite/testcode/lib/testcode2/vcs.py\nq-e-qe-7.5/test-suite/userconfig.tmp\nq-e-qe-7.5/test-suite/validate_xsd_pw.py\nq-e-qe-7.5/test-suite/xsd_pw/\nq-e-qe-7.5/test-suite/xsd_pw/WaterP1_0_scf_0.in\nq-e-qe-7.5/test-suite/zg_conf/\nq-e-qe-7.5/test-suite/zg_conf/benchmark.out.git.inp=zg.in.args=0\nq-e-qe-7.5/test-suite/zg_conf/si.10_10_10.fc\nq-e-qe-7.5/test-suite/zg_conf/zg.in\nq-e-qe-7.5/upflib/\nq-e-qe-7.5/upflib/CMakeLists.txt\nq-e-qe-7.5/upflib/Makefile\nq-e-qe-7.5/upflib/README.md\nq-e-qe-7.5/upflib/TODO_upflib.md\nq-e-qe-7.5/upflib/atom.f90\nq-e-qe-7.5/upflib/atomic_number.f90\nq-e-qe-7.5/upflib/atwfc_mod.f90\nq-e-qe-7.5/upflib/beta_mod.f90\nq-e-qe-7.5/upflib/casino2upf.f90\nq-e-qe-7.5/upflib/casino_pp.f90\nq-e-qe-7.5/upflib/dom.f90\nq-e-qe-7.5/upflib/dqvan2.f90\nq-e-qe-7.5/upflib/dylmr2.f90\nq-e-qe-7.5/upflib/fixfiles.py\nq-e-qe-7.5/upflib/gen_us_dj.f90\nq-e-qe-7.5/upflib/gen_us_dy.f90\nq-e-qe-7.5/upflib/gth.f90\nq-e-qe-7.5/upflib/hgh2qe.f90\nq-e-qe-7.5/upflib/init_us_0.f90\nq-e-qe-7.5/upflib/init_us_1.f90\nq-e-qe-7.5/upflib/init_us_2_acc.f90\nq-e-qe-7.5/upflib/init_us_b0.f90\nq-e-qe-7.5/upflib/paw_variables.f90\nq-e-qe-7.5/upflib/pseudo_types.f90\nq-e-qe-7.5/upflib/qrad_mod.f90\nq-e-qe-7.5/upflib/qvan2.f90\nq-e-qe-7.5/upflib/radial_grids.f90\nq-e-qe-7.5/upflib/read_cpmd.f90\nq-e-qe-7.5/upflib/read_fhi.f90\nq-e-qe-7.5/upflib/read_ncpp.f90\nq-e-qe-7.5/upflib/read_ps.f90\nq-e-qe-7.5/upflib/read_psml.f90\nq-e-qe-7.5/upflib/read_upf_new.f90\nq-e-qe-7.5/upflib/read_upf_v1.f90\nq-e-qe-7.5/upflib/read_uspp.f90\nq-e-qe-7.5/upflib/rhoat_mod.f90\nq-e-qe-7.5/upflib/rhoc_mod.f90\nq-e-qe-7.5/upflib/simpsn.f90\nq-e-qe-7.5/upflib/sph_bes.f90\nq-e-qe-7.5/upflib/sph_ind.f90\nq-e-qe-7.5/upflib/spinor.f90\nq-e-qe-7.5/upflib/splinelib.f90\nq-e-qe-7.5/upflib/upf_auxtools.f90\nq-e-qe-7.5/upflib/upf_const.f90\nq-e-qe-7.5/upflib/upf_error.f90\nq-e-qe-7.5/upflib/upf_invmat.f90\nq-e-qe-7.5/upflib/upf_io.f90\nq-e-qe-7.5/upflib/upf_ions.f90\nq-e-qe-7.5/upflib/upf_kinds.f90\nq-e-qe-7.5/upflib/upf_kinds.h\nq-e-qe-7.5/upflib/upf_parallel_include.f90\nq-e-qe-7.5/upflib/upf_params.f90\nq-e-qe-7.5/upflib/upf_spinorb.f90\nq-e-qe-7.5/upflib/upf_to_internal.f90\nq-e-qe-7.5/upflib/upf_utils.f90\nq-e-qe-7.5/upflib/upfconv.f90\nq-e-qe-7.5/upflib/uspp.f90\nq-e-qe-7.5/upflib/uspp_param.f90\nq-e-qe-7.5/upflib/virtual_v2.f90\nq-e-qe-7.5/upflib/vloc_mod.f90\nq-e-qe-7.5/upflib/write_upf_new.f90\nq-e-qe-7.5/upflib/wxml.f90\nq-e-qe-7.5/upflib/xmltools.f90\nq-e-qe-7.5/upflib/ylmr2.f90\nq-e-qe-7.5/upflib/ylmr2_gpu.f90\n/kaggle/working/q-e-qe-7.5\n","output_type":"stream"}],"execution_count":2},{"cell_type":"markdown","source":"Here, nvfortran is a requirement otherwise the code cannot work. Use cuda 12.3 or above (use versions which give direct tarball over the newer 13.0+ interactive installer as it does not work).","metadata":{}},{"cell_type":"code","source":"%cd /kaggle/working\n!wget https://developer.download.nvidia.com/hpc-sdk/24.11/nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\n!tar xpzf nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\n!rm -rf nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T07:42:52.078880Z","iopub.execute_input":"2026-07-30T07:42:52.079620Z","iopub.status.idle":"2026-07-30T07:50:53.092326Z","shell.execute_reply.started":"2026-07-30T07:42:52.079579Z","shell.execute_reply":"2026-07-30T07:50:53.090340Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"/kaggle/working\n--2026-07-30 07:42:52-- https://developer.download.nvidia.com/hpc-sdk/24.11/nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\nResolving developer.download.nvidia.com (developer.download.nvidia.com)... 23.46.228.176, 23.46.228.170\nConnecting to developer.download.nvidia.com (developer.download.nvidia.com)|23.46.228.176|:443... connected.\nHTTP request sent, awaiting response... 200 OK\nLength: 6131381079 (5.7G) [application/x-tar]\nSaving to: ‘nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz’\n\nnvhpc_2024_2411_Lin 100%[===================>] 5.71G 18.2MB/s in 6m 0s \n\n2026-07-30 07:48:52 (16.3 MB/s) - ‘nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz’ saved [6131381079/6131381079]\n\n","output_type":"stream"}],"execution_count":3},{"cell_type":"markdown","source":"## 3. Setting environment for running ","metadata":{}},{"cell_type":"markdown","source":"This part is extremely crucial, **do not** skip. Without this step, the whole process is not applicable.","metadata":{}},{"cell_type":"code","source":"import os\n\nbase = \"/kaggle/working/nvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11\" # Change path to current path where the nvhpc folder is\n\nos.environ[\"PATH\"] = base + \"/compilers/bin:\" + os.environ[\"PATH\"]\nos.environ[\"LD_LIBRARY_PATH\"] = base + \"/compilers/lib:\" + os.environ.get(\"LD_LIBRARY_PATH\", \"\")\nprint(\"Environment set.\")\n!nvfortran --version\nprint(\" \")\nprint(\"Check for error\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T07:50:53.093982Z","iopub.execute_input":"2026-07-30T07:50:53.094390Z","iopub.status.idle":"2026-07-30T07:50:55.275873Z","shell.execute_reply.started":"2026-07-30T07:50:53.094347Z","shell.execute_reply":"2026-07-30T07:50:55.275058Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Environment set.\n\nnvfortran 24.11-0 64-bit target on Linux -tp skylake-avx512 \nNVIDIA Compilers and Tools\nCopyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.\n\nnvfortran 24.11-0 64-bit target on x86-64 Linux -tp skylake-avx512 \nNVIDIA Compilers and Tools\nCopyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.\n \nCheck for error\n","output_type":"stream"}],"execution_count":4},{"cell_type":"markdown","source":"## 4. Set config ","metadata":{}},{"cell_type":"markdown","source":"Ensure to not tinker with the config unless **absolutely needed**. **Do not modify.**","metadata":{}},{"cell_type":"code","source":"%cd /kaggle/working/q-e-qe-7.5 \n# Change path as per need\n!export LIBXC_LIBS=\"-L/usr/lib/x86_64-linux-gnu -lxc -lxcf03\"\n!export LIBXC_CFLAGS=\"-I/usr/include\"\n!./configure \\\n FC=nvfortran \\\n F90=nvfortran \\\n F77=nvfortran \\\n MPIF90=nvfortran \\\n CC=nvc \\\n CXX=nvc++ \\\n LD=nvfortran \\\n --with-cuda=yes \\\n --with-cuda-runtime=12.6 \\\n --with-cuda-cc=60 \\\n --with-scalapack=no","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T07:50:55.277933Z","iopub.execute_input":"2026-07-30T07:50:55.278232Z","iopub.status.idle":"2026-07-30T07:51:04.403588Z","shell.execute_reply.started":"2026-07-30T07:50:55.278203Z","shell.execute_reply":"2026-07-30T07:51:04.402876Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"/kaggle/working/q-e-qe-7.5\ndirectory KCW/PP : okk ok okkokCI : ok\nall dependencies updated successfully\nRunning configure as ./install/configure FC=nvfortran F90=nvfortran F77=nvfortran MPIF90=nvfortran CC=nvc CXX=nvc++ LD=nvfortran --with-cuda=yes --with-cuda-runtime=12.6 --with-cuda-cc=60 --with-scalapack=no\nconfigure: WARNING: you should use --build, --host, --target\nchecking build system type... x86_64-pc-linux-gnu\nchecking ARCH... x86_64\nchecking setting AR... ... ar\nchecking setting ARFLAGS... ... ruv\nchecking whether the Fortran compiler works... yes\nchecking for Fortran compiler default output file name... a.out\nchecking for suffix of executables... \nchecking whether we are cross compiling... no\nchecking for suffix of object files... o\nchecking whether we are using the GNU Fortran compiler... no\nchecking whether nvfortran accepts -g... yes\nchecking for Fortran flag to compile .f90 files... none\nchecking for nvfortran... nvfortran\nchecking whether we are using the GNU Fortran compiler... no\nchecking whether nvfortran accepts -g... yes\nchecking version of nvfortran... nvfortran 24.11-0\nconfigure: WARNING: Check whether user-supplied F90 is consistent with MPIF90 !!! \nsetting F90... nvfortran\nsetting MPIF90... nvfortran\nchecking whether we are using the GNU C compiler... yes\nchecking whether nvc accepts -g... yes\nchecking for nvc option to accept ISO C89... none needed\nsetting CC... nvc\nsetting CFLAGS... -O3\nusing F90... nvfortran\nsetting FFLAGS... -fast\nsetting F90FLAGS... -fast -Mcache_align -Mpreprocess -Mlarge_arrays\nsetting FFLAGS_NOOPT... -O0\nsetting FFLAGS_NOMAIN... -Mnomain\nsetting CPP... cpp\nsetting CPPFLAGS... -P -traditional -Uvector\nsetting LD... nvfortran\nsetting LDFLAGS...\nchecking whether Fortran compiler accepts -cuda -gpu=cuda12.6... yes\nchecking whether make sets $(MAKE)... yes\nchecking whether Fortran files must be preprocessed... no\nchecking for library containing dgemm... -lmkl_intel_lp64\nsetting BLAS_LIBS... -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nchecking FFT... \nchecking MASS... \nchecking for library containing mpi_init... no\nchecking ELPA... \nchecking for Environ... not used\nchecking if legacy plugins are enabled ... no\nchecking for ranlib... ranlib\nchecking for wget... wget -O\nsetting WGET... wget -O\nchecking for git... git\nsetting DFLAGS... -D__PGI -D__CUDA -D__DFTI\nsetting IFLAGS... -I. -I$(TOPDIR)/include -I/opt/intel/mkl/include\nconfigure: creating ./config.status\nconfig.status: creating install/make_lapack.inc\nconfig.status: creating include/configure.h\nconfig.status: creating make.inc\nconfig.status: creating configure.msg\nconfig.status: creating install/make_wannier90.inc\n--------------------------------------------------------------------\nESPRESSO can take advantage of several optimized numerical libraries\n(essl, fftw, mkl...). This configure script attempts to find them,\nbut may fail if they have been installed in non-standard locations.\nIf a required library is not found, the local copy will be compiled.\n\nThe following libraries have been found:\n BLAS_LIBS= -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\n LAPACK_LIBS=\n FFT_LIBS=\n \n \n\nPlease check if this is what you expect.\n\nIf any libraries are missing, you may specify a list of directories\nto search and retry, as follows:\n ./configure LIBDIRS=\"list of directories, separated by spaces\"\n\nParallel environment not detected \\(is this a parallel machine?\\).\\\nConfigured for compilation of serial executables.\n\nFor more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).\n--------------------------------------------------------------------\nconfigure: success\n","output_type":"stream"}],"execution_count":5},{"cell_type":"markdown","source":"If final output shows configure: success, continue. Otherwise, search for documentation or use AI to help troubleshoot.","metadata":{}},{"cell_type":"code","source":"from pathlib import Path\nimport re\n\npath = Path(\"/kaggle/working/q-e-qe-7.5/make.inc\")\ntext = path.read_text()\n\nnew_lines = []\nfor line in text.splitlines():\n if line.strip().startswith(\"DFLAGS\"):\n line = re.sub(r\"-D__DFTI\\b\", \"\", line)\n line = re.sub(r\"-D__FFTW3\\b\", \"\", line)\n line = re.sub(r\"-D__FFTW\\b\", \"\", line)\n line = line.rstrip() + \" -D__FFTW\"\n new_lines.append(line)\n\npath.write_text(\"\\n\".join(new_lines) + \"\\n\")\n\nprint(\"Updated DFLAGS:\")\nfor line in new_lines:\n if line.strip().startswith(\"DFLAGS\"):\n print(line)","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T07:51:04.404828Z","iopub.execute_input":"2026-07-30T07:51:04.405040Z","iopub.status.idle":"2026-07-30T07:51:04.413588Z","shell.execute_reply.started":"2026-07-30T07:51:04.405017Z","shell.execute_reply":"2026-07-30T07:51:04.412967Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Updated DFLAGS:\nDFLAGS = -D__PGI -D__CUDA -D__FFTW\n","output_type":"stream"}],"execution_count":6},{"cell_type":"markdown","source":"## 5. Compile and Run","metadata":{}},{"cell_type":"markdown","source":"The below code may take a few minutes to run. **Do not** interrupt execution. In case of errors saying certain parts are not there/broken, remove the comment on the cell below the given one. Then run the below cell and re-comment.","metadata":{}},{"cell_type":"code","source":"!cd /kaggle/working/q-e-qe-7.5/bin\n!make pw -j4 2>&1\n#!make cp -j4 2>&1","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T07:51:04.414455Z","iopub.execute_input":"2026-07-30T07:51:04.414811Z","iopub.status.idle":"2026-07-30T07:57:40.917583Z","shell.execute_reply.started":"2026-07-30T07:51:04.414788Z","shell.execute_reply":"2026-07-30T07:57:40.916724Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"/bin/bash: line 1: cd: /kaggle/working/q-e-qe-7.5/bin: No such file or directory\ntest -d bin || mkdir bin\n( cd UtilXlib ; make TLDEPS= all || exit 1 )\ncd install ; make -f extlibs_makefile libcuda\n( cd FFTXlib ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/install'\ncd install ; make -f extlibs_makefile libmbd\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/UtilXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c parallel_include.f90 -o parallel_include.o\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/FFTXlib'\n( cd src ; make all || exit 1 )\ninitializing external/devxlib submodule ...\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/install'\ninitializing external/mbd submodule ...\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/FFTXlib/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_param.f90 -o fft_param.o\n\u001b[33mhint: Using 'master' as the name for the initial branch. This default branch name\u001b[m\n\u001b[33mhint: Using 'master' as the name for the initial branch. This default branch name\u001b[m\n\u001b[33mhint: is subject to change. To configure the initial branch name to use in all\u001b[m\n\u001b[33mhint: is subject to change. To configure the initial branch name to use in all\u001b[m\n\u001b[33mhint: of your new repositories, which will suppress this warning, call:\u001b[m\n\u001b[33mhint: of your new repositories, which will suppress this warning, call:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit config --global init.defaultBranch \u001b[m\n\u001b[33mhint: \tgit config --global init.defaultBranch \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: Names commonly chosen instead of 'master' are 'main', 'trunk' and\u001b[m\n\u001b[33mhint: Names commonly chosen instead of 'master' are 'main', 'trunk' and\u001b[m\n\u001b[33mhint: 'development'. The just-created branch can be renamed via this command:\u001b[m\n\u001b[33mhint: 'development'. The just-created branch can be renamed via this command:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit branch -m \u001b[m\n\u001b[33mhint: \tgit branch -m \u001b[m\nInitialized empty Git repository in /kaggle/working/q-e-qe-7.5/external/mbd/.git/\nInitialized empty Git repository in /kaggle/working/q-e-qe-7.5/external/devxlib/.git/\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c nvtx_wrapper.f90 -o nvtx_wrapper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fftw_interfaces.f90 -o fftw_interfaces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.FFTW3.f90 -o fft_scalar.FFTW3.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.FFTW3.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.SX6.f90 -o fft_scalar.SX6.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.SX6.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.cuFFT.f90 -o fft_scalar.cuFFT.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c cptimer.c\nremote: Enumerating objects: 84, done.\u001b[K\nremote: Counting objects: 100% (84/84), done.\u001b[K\nremote: Compressing objects: 100% (82/82), done.\u001b[K\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c copy.c\nremote: Total 84 (delta 3), reused 19 (delta 0), pack-reused 0 (from 0)\u001b[K\nUnpacking objects: 100% (84/84), 112.48 KiB | 828.00 KiB/s, done.\nFrom https://github.com/libmbd/libmbd\n * branch 89a3cc199c0a200c9f0f688c3229ef6b9a8d63bd -> FETCH_HEAD\nSwitched to a new branch 'recorded_HEAD'\nif test ! -d ../MBD; then \\\n mkdir ../MBD; \\\n cd /kaggle/working/q-e-qe-7.5//external/mbd/src; \\\nexport FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include \"; \\\nmake -f ../../mbd.make; cp *.mod *.a /kaggle/working/q-e-qe-7.5//MBD; cd ../../.. ;fi\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c c_mkdir.c\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/external/mbd/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_constants.f90\nsed -e 's/@PROJECT_VERSION_MAJOR@/0/' mbd_version.f90.in > mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_MINOR@/13/' mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_PATCH@/0/' mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_SUFFIX@/0/' mbd_version.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_gradients.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c device_helper.f90 -o device_helper.o\nremote: Enumerating objects: 117, done.\u001b[K\nremote: Counting objects: 100% (117/117), done.\u001b[K\nremote: Compressing objects: 100% (104/104), done.\u001b[K\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_defaults.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_linalg.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_smallbox.f90 -o fft_smallbox.o\nremote: Total 117 (delta 16), reused 68 (delta 8), pack-reused 0 (from 0)\u001b[K\nReceiving objects: 100% (117/117), 5.07 MiB | 12.92 MiB/s, done.\nResolving deltas: 100% (16/16), done.\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_version.f90\nFrom https://gitlab.com/max-centre/components/devicexlib\n * branch a6b89ef77b1ceda48e967921f1f5488d2df9226d -> FETCH_HEAD\nSwitched to a new branch 'recorded_HEAD'\ncd /kaggle/working/q-e-qe-7.5//external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.5//make.inc ../; \\\nmake all; \\\ntouch /kaggle/working/q-e-qe-7.5//install/libcuda_devxlib # do not download and configure again\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/external/devxlib/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_auxfunc_mod.f90 -o device_auxfunc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_utils.F90\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_auxfunc_mod.f90: 13)\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_fbuff.f90 -o device_fbuff.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw_sp.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_damping.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_formulas.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_lapack.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_vdw_param.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_matrix.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_geom.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_dipole.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_memcpy_mod.f90 -o device_memcpy_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_memcpy_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_memcpy.f90 -o device_memcpy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_ts.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c eval_infix.c\n\u001b[01m\u001b[0m\u001b[01m\"eval_infix.c\", line 431\u001b[0m: \u001b[01;35mwarning\u001b[0m: statement is unreachable [code_is_unreachable]\n return EOL;\n ^\n\n\u001b[01;36m\u001b[0m\u001b[01;36mRemark\u001b[0m: individual warnings can be suppressed with \"--diag_suppress \"\n\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_coulomb.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c find_free_unit.f90 -o find_free_unit.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fletcher32.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c md5.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c md5_from_file.c\n\u001b[01m\u001b[0m\u001b[01m\"md5_from_file.c\", line 79\u001b[0m: \u001b[01;35mwarning\u001b[0m: parameter \u001b[01m\"err\"\u001b[0m was set but never used [set_but_not_used]\n void get_md5(const char *file, char *md5, int err)\n ^\n\n\u001b[01;36m\u001b[0m\u001b[01;36mRemark\u001b[0m: individual warnings can be suppressed with \"--diag_suppress \"\n\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c memstat.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c memusage.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c mem_counter.f90 -o mem_counter.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c ptrace.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c util_param.f90 -o util_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c clib_wrappers.f90 -o clib_wrappers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_density.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c clocks_handler.f90 -o clocks_handler.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_hamiltonian.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_rpa.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c mp.f90 -o mp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_scs.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd_methods.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw_dp.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mbd.F90\nar -r libmbd.a mbd.o mbd_constants.o mbd_coulomb.o mbd_damping.o mbd_defaults.o mbd_density.o mbd_dipole.o mbd_formulas.o mbd_geom.o mbd_gradients.o mbd_hamiltonian.o mbd_lapack.o mbd_linalg.o mbd_matrix.o mbd_methods.o mbd_rpa.o mbd_scs.o mbd_ts.o mbd_utils.o mbd_version.o mbd_vdw_param.o\nar: creating libmbd.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/external/mbd/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/install'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_auxfunc.f90 -o device_auxfunc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c data_buffer.f90 -o data_buffer.o\n( cd XClib ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/XClib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xclib_utils_and_para.f90 -o xclib_utils_and_para.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_kind.f90 -o qe_kind.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c fletcher32_mod.f90 -o fletcher32_mod.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c pbecor.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c mp_base.f90 -o mp_base.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c beefun.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c mp_base_gpu.f90 -o mp_base_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xclib_error.f90 -o xclib_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_constants.f90 -o qe_constants.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c dft_setting_params.f90 -o dft_setting_params.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_funct_corr_lda_lsda.f90 -o qe_funct_corr_lda_lsda.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c timer.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c timer_mod.f90 -o timer_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c device_fbuff_mod.f90 -o device_fbuff_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_fbuff_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5/external/devxlib//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5/external/devxlib//include -I/opt/intel/mkl/include -c deviceXlib_mod.f90 -o deviceXlib_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (deviceXlib_mod.f90: 13)\nar ruv libdevXlib.a deviceXlib_mod.o device_memcpy.o device_memcpy_mod.o device_auxfunc.o device_auxfunc_mod.o device_fbuff.o device_fbuff_mod.o timer.o timer_mod.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdevXlib.a\na - deviceXlib_mod.o\na - device_memcpy.o\na - device_memcpy_mod.o\na - device_auxfunc.o\na - device_auxfunc_mod.o\na - device_fbuff.o\na - device_fbuff_mod.o\na - timer.o\na - timer_mod.o\nranlib libdevXlib.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/external/devxlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/install'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_error.f90 -o fft_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c print_mem.f90 -o print_mem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_funct_exch_lda_lsda.f90 -o qe_funct_exch_lda_lsda.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fft_stick.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_funct_corr_gga.f90 -o qe_funct_corr_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c thread_util.f90 -o thread_util.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_support.f90 -o fft_support.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c stick_base.f90 -o stick_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c divide.f90 -o divide.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_funct_exch_gga.f90 -o qe_funct_exch_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.DFTI.f90 -o fft_scalar.DFTI.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_beef_interface.f90 -o xc_beef_interface.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.ESSL.f90 -o fft_scalar.ESSL.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c error_handler.f90 -o error_handler.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.ESSL.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.FFTW.f90 -o fft_scalar.FFTW.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c mp_bands_util.f90 -o mp_bands_util.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_drivers_lda_lsda.f90 -o qe_drivers_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_types.f90 -o fft_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c export_gstart_2_solvers.f90 -o export_gstart_2_solvers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I. -c set_mpi_comm_4_solvers.f90 -o set_mpi_comm_4_solvers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_dft_list.f90 -o qe_dft_list.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_funct_mgga.f90 -o qe_funct_mgga.o\nar ruv libutil.a clib_wrappers.o clocks_handler.o cptimer.o copy.o c_mkdir.o device_helper.o divide.o data_buffer.o eval_infix.o error_handler.o export_gstart_2_solvers.o find_free_unit.o fletcher32_mod.o fletcher32.o md5.o md5_from_file.o memstat.o memusage.o mem_counter.o mp.o mp_base.o mp_base_gpu.o mp_bands_util.o parallel_include.o print_mem.o ptrace.o set_mpi_comm_4_solvers.o util_param.o thread_util.o nvtx_wrapper.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libutil.a\na - clib_wrappers.o\na - clocks_handler.o\na - cptimer.o\na - copy.o\na - c_mkdir.o\na - device_helper.o\na - divide.o\na - data_buffer.o\na - eval_infix.o\na - error_handler.o\na - export_gstart_2_solvers.o\na - find_free_unit.o\na - fletcher32_mod.o\na - fletcher32.o\na - md5.o\na - md5_from_file.o\na - memstat.o\na - memusage.o\na - mem_counter.o\na - mp.o\na - mp_base.o\na - mp_base_gpu.o\na - mp_bands_util.o\na - parallel_include.o\na - print_mem.o\na - ptrace.o\na - set_mpi_comm_4_solvers.o\na - util_param.o\na - thread_util.o\na - nvtx_wrapper.o\nranlib libutil.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/UtilXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_drivers_d_lda_lsda.f90 -o qe_drivers_d_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scalar.f90 -o fft_scalar.o\n( cd LAXlib ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/LAXlib'\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib.h -o laxlib.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib_hi.h -o laxlib_hi.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib_kinds.h -o laxlib_kinds.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib_low.h -o laxlib_low.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib_mid.h -o laxlib_mid.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include laxlib_param.h -o laxlib_param.fh\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_wrapper_lda_lsda.f90 -o xc_wrapper_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c la_types.f90 -o la_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c la_param.f90 -o la_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c la_module.f90 -o la_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c dspev_drv.f90 -o dspev_drv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c scatter_mod.f90 -o scatter_mod.o\n( cd upflib ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/upflib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_kinds.f90 -o upf_kinds.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_io.f90 -o upf_io.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_params.f90 -o upf_params.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scatter_2d.f90 -o fft_scatter_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c mp_diag.f90 -o mp_diag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_utils.f90 -o upf_utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c dft_setting_routines.f90 -o dft_setting_routines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c zhpev_drv.f90 -o zhpev_drv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_invmat.f90 -o upf_invmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_buffers.f90 -o fft_buffers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c paw_variables.f90 -o paw_variables.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atomic_number.f90 -o atomic_number.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dylmr2.f90 -o dylmr2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_drivers_gga.f90 -o qe_drivers_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c splinelib.f90 -o splinelib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scatter_2d_gpu.f90 -o fft_scatter_2d_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c rdiaghg.f90 -o rdiaghg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c xmltools.f90 -o xmltools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_ggen.f90 -o fft_ggen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_drivers_mgga.f90 -o qe_drivers_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c ptoolkit.f90 -o ptoolkit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c spinor.f90 -o spinor.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_wrapper_d_lda_lsda.f90 -o xc_wrapper_d_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c sph_ind.f90 -o sph_ind.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c simpsn.f90 -o simpsn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scatter.f90 -o fft_scatter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_wrapper_gga.f90 -o xc_wrapper_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_parallel_include.f90 -o upf_parallel_include.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c ylmr2_gpu.f90 -o ylmr2_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_wrapper_mgga.f90 -o xc_wrapper_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_parallel_2d.f90 -o fft_parallel_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_lib.f90 -o xc_lib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c qe_drivers_d_gga.f90 -o qe_drivers_d_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dom.f90 -o dom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_smallbox_type.f90 -o fft_smallbox_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c wxml.f90 -o wxml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib/ -c xc_wrapper_d_gga.f90 -o xc_wrapper_d_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_const.f90 -o upf_const.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c pseudo_types.f90 -o pseudo_types.o\nar ruv xc_lib.a xclib_utils_and_para.o xclib_error.o qe_kind.o qe_constants.o dft_setting_params.o dft_setting_routines.o qe_dft_list.o qe_funct_corr_lda_lsda.o qe_funct_exch_lda_lsda.o qe_funct_corr_gga.o qe_funct_exch_gga.o qe_funct_mgga.o xc_beef_interface.o qe_drivers_lda_lsda.o qe_drivers_d_lda_lsda.o qe_drivers_gga.o qe_drivers_d_gga.o qe_drivers_mgga.o xc_wrapper_d_gga.o xc_wrapper_d_lda_lsda.o xc_wrapper_gga.o xc_wrapper_lda_lsda.o xc_wrapper_mgga.o xc_lib.o pbecor.o beefun.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating xc_lib.a\na - xclib_utils_and_para.o\na - xclib_error.o\na - qe_kind.o\na - qe_constants.o\na - dft_setting_params.o\na - dft_setting_routines.o\na - qe_dft_list.o\na - qe_funct_corr_lda_lsda.o\na - qe_funct_exch_lda_lsda.o\na - qe_funct_corr_gga.o\na - qe_funct_exch_gga.o\na - qe_funct_mgga.o\na - xc_beef_interface.o\na - qe_drivers_lda_lsda.o\na - qe_drivers_d_lda_lsda.o\na - qe_drivers_gga.o\na - qe_drivers_d_gga.o\na - qe_drivers_mgga.o\na - xc_wrapper_d_gga.o\na - xc_wrapper_d_lda_lsda.o\na - xc_wrapper_gga.o\na - xc_wrapper_lda_lsda.o\na - xc_wrapper_mgga.o\na - xc_lib.o\na - pbecor.o\na - beefun.o\nranlib xc_lib.a\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/XClib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c transto.f90 -o transto.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c tg_gather.f90 -o tg_gather.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c sph_bes.f90 -o sph_bes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_auxtools.f90 -o upf_auxtools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_error.f90 -o upf_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_helper_subroutines.f90 -o fft_helper_subroutines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c write_upf_new.f90 -o write_upf_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c distools.f90 -o distools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c ylmr2.f90 -o ylmr2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_scatter_gpu.f90 -o fft_scatter_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c la_error.f90 -o la_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c la_helper.f90 -o la_helper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c casino_pp.f90 -o casino_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c cdiaghg.f90 -o cdiaghg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_interfaces.f90 -o fft_interfaces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_parallel.f90 -o fft_parallel.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c radial_grids.f90 -o radial_grids.o\nar ruv libqela.a la_types.o la_error.o la_module.o la_helper.o cdiaghg.o rdiaghg.o dspev_drv.o ptoolkit.o transto.o distools.o zhpev_drv.o mp_diag.o la_param.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqela.a\na - la_types.o\na - la_error.o\na - la_module.o\na - la_helper.o\na - cdiaghg.o\na - rdiaghg.o\na - dspev_drv.o\na - ptoolkit.o\na - transto.o\na - distools.o\na - zhpev_drv.o\na - mp_diag.o\na - la_param.o\nranlib libqela.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/LAXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_interpolate.f90 -o fft_interpolate.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c uspp_param.f90 -o uspp_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gth.f90 -o gth.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_spinorb.f90 -o upf_spinorb.o\n( cd KS_Solvers ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers'\nMakefile:80: warning: overriding recipe for target 'librmm'\nMakefile:72: warning: ignoring old recipe for target 'librmm'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/Davidson_RCI'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c david_rci.f90 -o david_rci.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_cpmd.f90 -o read_cpmd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_fhi.f90 -o read_fhi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -c fft_fwinv.f90 -o fft_fwinv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_ncpp.f90 -o read_ncpp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_psml.f90 -o read_psml.o\nar ruv libdavid_rci.a david_rci.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdavid_rci.a\na - david_rci.o\nranlib libdavid_rci.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/Davidson'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c cegterg.f90 -o cegterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c regterg.f90 -o regterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_upf_new.f90 -o read_upf_new.o\nar ruv libqefft.a scatter_mod.o fft_scatter_2d.o fft_scatter_gpu.o fft_scatter_2d_gpu.o fft_ggen.o fft_fwinv.o fft_scalar.o fft_scalar.DFTI.o fft_scalar.ESSL.o fft_scalar.FFTW.o fft_scatter.o fft_scalar.cuFFT.o fftw_interfaces.o fft_scalar.FFTW3.o fft_scalar.SX6.o fft_parallel.o fft_parallel_2d.o fft_interfaces.o fft_interpolate.o stick_base.o fftw.o fftw_sp.o fftw_dp.o fft_smallbox.o fft_smallbox_type.o fft_support.o fft_error.o fft_stick.o fft_types.o tg_gather.o fft_helper_subroutines.o fft_param.o fft_buffers.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqefft.a\na - scatter_mod.o\na - fft_scatter_2d.o\na - fft_scatter_gpu.o\na - fft_scatter_2d_gpu.o\na - fft_ggen.o\na - fft_fwinv.o\na - fft_scalar.o\na - fft_scalar.DFTI.o\na - fft_scalar.ESSL.o\na - fft_scalar.FFTW.o\na - fft_scatter.o\na - fft_scalar.cuFFT.o\na - fftw_interfaces.o\na - fft_scalar.FFTW3.o\na - fft_scalar.SX6.o\na - fft_parallel.o\na - fft_parallel_2d.o\na - fft_interfaces.o\na - fft_interpolate.o\na - stick_base.o\na - fftw.o\na - fftw_sp.o\na - fftw_dp.o\na - fft_smallbox.o\na - fft_smallbox_type.o\na - fft_support.o\na - fft_error.o\na - fft_stick.o\na - fft_types.o\na - tg_gather.o\na - fft_helper_subroutines.o\na - fft_param.o\na - fft_buffers.o\nranlib libqefft.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/FFTXlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/FFTXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c cegterg_gpu.f90 -o cegterg_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_upf_v1.f90 -o read_upf_v1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_uspp.f90 -o read_uspp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_ions.f90 -o upf_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_to_internal.f90 -o upf_to_internal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c regterg_gpu.f90 -o regterg_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c virtual_v2.f90 -o virtual_v2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upfconv.f90 -o upfconv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c casino2upf.f90 -o casino2upf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atom.f90 -o atom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c uspp.f90 -o uspp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_0.f90 -o init_us_0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_b0.f90 -o init_us_b0.o\nar ruv libdavid.a cegterg.o regterg.o cegterg_gpu.o regterg_gpu.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdavid.a\na - cegterg.o\na - regterg.o\na - cegterg_gpu.o\na - regterg_gpu.o\nranlib libdavid.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/Davidson'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/CG'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c ccgdiagg.f90 -o ccgdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_ps.f90 -o read_ps.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atwfc_mod.f90 -o atwfc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c rcgdiagg.f90 -o rcgdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c beta_mod.f90 -o beta_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c qrad_mod.f90 -o qrad_mod.o\nar ruv libcg.a ccgdiagg.o rcgdiagg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libcg.a\na - ccgdiagg.o\na - rcgdiagg.o\nranlib libcg.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/CG'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/ParO'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_gamma.f90 -o paro_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_gamma_new.f90 -o paro_gamma_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c rhoat_mod.f90 -o rhoat_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_k.f90 -o paro_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c rhoc_mod.f90 -o rhoc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_k_new.f90 -o paro_k_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcg_gamma.f90 -o pcg_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcg_k.f90 -o pcg_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c vloc_mod.f90 -o vloc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c qvan2.f90 -o qvan2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dqvan2.f90 -o dqvan2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c bpcg_gamma.f90 -o bpcg_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gen_us_dj.f90 -o gen_us_dj.o\nNVFORTRAN-W-0155-Constant or Parameter used in data clause - maxter (bpcg_gamma.f90: 304)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c bpcg_k.f90 -o bpcg_k.o\n 0 inform, 1 warnings, 0 severes, 0 fatal for bpcg_gamma\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gen_us_dy.f90 -o gen_us_dy.o\nNVFORTRAN-W-0155-Constant or Parameter used in data clause - maxter (bpcg_k.f90: 300)\n 0 inform, 1 warnings, 0 severes, 0 fatal for bpcg_k\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_1.f90 -o init_us_1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_2_acc.f90 -o init_us_2_acc.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o virtual_v2.x virtual_v2.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o upfconv.x upfconv.o casino_pp.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o casino2upf.x casino2upf.o casino_pp.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nar ruv libparo.a paro_gamma.o paro_gamma_new.o paro_k.o paro_k_new.o pcg_gamma.o pcg_k.o bpcg_gamma.o bpcg_k.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libparo.a\na - paro_gamma.o\na - paro_gamma_new.o\na - paro_k.o\na - paro_k_new.o\na - pcg_gamma.o\na - pcg_k.o\na - bpcg_gamma.o\na - bpcg_k.o\nranlib libparo.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/RMM'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../PPCG -I ../../UtilXlib -I. -c crmmdiagg.f90 -o crmmdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../PPCG -I ../../UtilXlib -I. -c rrmmdiagg.f90 -o rrmmdiagg.o\nar ruv libupf.a atwfc_mod.o beta_mod.o qrad_mod.o rhoat_mod.o rhoc_mod.o vloc_mod.o qvan2.o dqvan2.o gen_us_dj.o gen_us_dy.o init_us_0.o init_us_b0.o init_us_1.o init_us_2_acc.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libupf.a\na - atwfc_mod.o\na - beta_mod.o\na - qrad_mod.o\na - rhoat_mod.o\na - rhoc_mod.o\na - vloc_mod.o\na - qvan2.o\na - dqvan2.o\na - gen_us_dj.o\na - gen_us_dy.o\na - init_us_0.o\na - init_us_b0.o\na - init_us_1.o\na - init_us_2_acc.o\na - atom.o\na - atomic_number.o\na - dylmr2.o\na - gth.o\na - paw_variables.o\na - pseudo_types.o\na - radial_grids.o\na - read_cpmd.o\na - read_fhi.o\na - read_ncpp.o\na - read_ps.o\na - read_psml.o\na - read_upf_new.o\na - read_upf_v1.o\na - read_uspp.o\na - spinor.o\na - sph_ind.o\na - sph_bes.o\na - splinelib.o\na - simpsn.o\na - upf_auxtools.o\na - upf_const.o\na - upf_error.o\na - upf_invmat.o\na - upf_io.o\na - upf_ions.o\na - upf_kinds.o\na - upf_params.o\na - upf_parallel_include.o\na - upf_spinorb.o\na - upf_to_internal.o\na - upf_utils.o\na - uspp.o\na - uspp_param.o\na - write_upf_new.o\na - xmltools.o\na - ylmr2.o\na - ylmr2_gpu.o\na - dom.o\na - wxml.o\nranlib libupf.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/upflib'\n( cd Modules ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/Modules'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c kind.f90 -o kind.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c parameters.f90 -o parameters.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c io_global.f90 -o io_global.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_bands.f90 -o mp_bands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c noncol.f90 -o noncol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c bspline.f90 -o bspline.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fft_base.f90 -o fft_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c coulomb_vcut.f90 -o coulomb_vcut.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c environ_api_stub.f90 -o environ_api_stub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_pools.f90 -o mp_pools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qeh5_module.f90 -o qeh5_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c version.f90 -o version.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fsockets.f90 -o fsockets.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c lmdif.f90 -o lmdif.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c plugin_flags.f90 -o plugin_flags.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mdiis.f90 -o mdiis.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_wave.f90 -o mp_wave.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c open_close_input_file.f90 -o open_close_input_file.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c plugin_arguments.f90 -o plugin_arguments.o\nar ruv librmm.a crmmdiagg.o rrmmdiagg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating librmm.a\na - crmmdiagg.o\na - rrmmdiagg.o\nranlib librmm.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/DENSE'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_HSpsi_gamma.f90 -o rotate_HSpsi_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_HSpsi_k.f90 -o rotate_HSpsi_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_wfc_gamma.f90 -o rotate_wfc_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c plugin_variables.f90 -o plugin_variables.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wypos.f90 -o wypos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_wfc_k.f90 -o rotate_wfc_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c run_info.f90 -o run_info.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_driver.f90 -o rotate_driver.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c space_group.f90 -o space_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c set_vdw_corr.f90 -o set_vdw_corr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_xpsi_k.f90 -o rotate_xpsi_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_types_module.f90 -o qes_types_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c setqf.f90 -o setqf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c timestep.f90 -o timestep.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_bcast_module.f90 -o qes_bcast_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_xpsi_gamma.f90 -o rotate_xpsi_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c gram_schmidt_gamma.f90 -o gram_schmidt_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c gram_schmidt_k.f90 -o gram_schmidt_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_init_module.f90 -o qes_init_module.o\nar ruv libdense.a rotate_HSpsi_gamma.o rotate_HSpsi_k.o rotate_wfc_gamma.o rotate_wfc_k.o rotate_driver.o rotate_xpsi_k.o rotate_xpsi_gamma.o gram_schmidt_gamma.o gram_schmidt_k.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdense.a\na - rotate_HSpsi_gamma.o\na - rotate_HSpsi_k.o\na - rotate_wfc_gamma.o\na - rotate_wfc_k.o\na - rotate_driver.o\na - rotate_xpsi_k.o\na - rotate_xpsi_gamma.o\na - gram_schmidt_gamma.o\na - gram_schmidt_k.o\nranlib libdense.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers/DENSE'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nar ruv libks_solvers.a Davidson_RCI/david_rci.o Davidson/cegterg.o Davidson/regterg.o CG/ccgdiagg.o CG/rcgdiagg.o ParO/bpcg_gamma.o ParO/bpcg_k.o ParO/paro_gamma.o ParO/pcg_gamma.o ParO/paro_k.o ParO/pcg_k.o ParO/paro_gamma_new.o ParO/paro_k_new.o DENSE/rotate_HSpsi_gamma.o DENSE/rotate_HSpsi_k.o DENSE/rotate_wfc_gamma.o DENSE/rotate_wfc_k.o DENSE/rotate_driver.o DENSE/gram_schmidt_gamma.o DENSE/gram_schmidt_k.o DENSE/rotate_xpsi_gamma.o DENSE/rotate_xpsi_k.o RMM/crmmdiagg.o RMM/rrmmdiagg.o Davidson/cegterg_gpu.o Davidson/regterg_gpu.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libks_solvers.a\na - Davidson_RCI/david_rci.o\na - Davidson/cegterg.o\na - Davidson/regterg.o\na - CG/ccgdiagg.o\na - CG/rcgdiagg.o\na - ParO/bpcg_gamma.o\na - ParO/bpcg_k.o\na - ParO/paro_gamma.o\na - ParO/pcg_gamma.o\na - ParO/paro_k.o\na - ParO/pcg_k.o\na - ParO/paro_gamma_new.o\na - ParO/paro_k_new.o\na - DENSE/rotate_HSpsi_gamma.o\na - DENSE/rotate_HSpsi_k.o\na - DENSE/rotate_wfc_gamma.o\na - DENSE/rotate_wfc_k.o\na - DENSE/rotate_driver.o\na - DENSE/gram_schmidt_gamma.o\na - DENSE/gram_schmidt_k.o\na - DENSE/rotate_xpsi_gamma.o\na - DENSE/rotate_xpsi_k.o\na - RMM/crmmdiagg.o\na - RMM/rrmmdiagg.o\na - Davidson/cegterg_gpu.o\na - Davidson/regterg_gpu.o\nranlib libks_solvers.a\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include ks_solver_interfaces.h -o ks_solver_interfaces.fh\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/KS_Solvers'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_read_module.f90 -o qes_read_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_reset_module.f90 -o qes_reset_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_write_module.f90 -o qes_write_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c molecule_types.f90 -o molecule_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wyckoff.f90 -o wyckoff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c zvscal.f90 -o zvscal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wave_gauge.f90 -o wave_gauge.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c atom_weight.f90 -o atom_weight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c capital.f90 -o capital.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c cryst_to_car.f90 -o cryst_to_car.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c expint.f90 -o expint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c generate_k_along_lines.f90 -o generate_k_along_lines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c has_xml.f90 -o has_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c inpfile.f90 -o inpfile.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c int_to_char.f90 -o int_to_char.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c linpack.f90 -o linpack.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c matches.f90 -o matches.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c plot_io.f90 -o plot_io.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c radial_gradients.f90 -o radial_gradients.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c rgen.f90 -o rgen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c recips.f90 -o recips.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c remove_tot_torque.f90 -o remove_tot_torque.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c sort.f90 -o sort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c trimcheck.f90 -o trimcheck.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c test_input_file.f90 -o test_input_file.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c date_and_tim.f90 -o date_and_tim.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c volume.f90 -o volume.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c deviatoric.f90 -o deviatoric.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c customize_signals.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c qmmm_aux.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c sockets.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_rism.f90 -o mp_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c err_rism.f90 -o err_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvmol.f90 -o solvmol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c cryst_to_car_2d.f90 -o cryst_to_car_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c lj_forcefield.f90 -o lj_forcefield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_swap_ax_rism.f90 -o mp_swap_ax_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c plot_rism.f90 -o plot_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c rms_residual.f90 -o rms_residual.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c constants.f90 -o constants.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c control_flags.f90 -o control_flags.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c invmat.f90 -o invmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wannier_new.f90 -o wannier_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_images.f90 -o mp_images.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c recvec.f90 -o recvec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_world.f90 -o mp_world.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c random_numbers.f90 -o random_numbers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c cell_nose.f90 -o cell_nose.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c basic_algebra_routines.f90 -o basic_algebra_routines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c io_files.f90 -o io_files.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c bz_form.f90 -o bz_form.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c set_signal.f90 -o set_signal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c command_line_options.f90 -o command_line_options.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c electrons_base.f90 -o electrons_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fox_init_module.f90 -o fox_init_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fft_rho.f90 -o fft_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fft_wave.f90 -o fft_wave.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c gvecw.f90 -o gvecw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_exx.f90 -o mp_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mp_global.f90 -o mp_global.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c printout_base.f90 -o printout_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c pw_dot.f90 -o pw_dot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c recvec_subs.f90 -o recvec_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c set_para_diag.f90 -o set_para_diag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c copy_order_um_from_xml.f90 -o copy_order_um_from_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wavefunctions.f90 -o wavefunctions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c ws_base.f90 -o ws_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c io_base.f90 -o io_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qes_libs_module.f90 -o qes_libs_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qexsd_input.f90 -o qexsd_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qexsd_copy.f90 -o qexsd_copy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c hdf5_qe.f90 -o hdf5_qe.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c xsf.f90 -o xsf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c random_numbers_gpu.f90 -o random_numbers_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c latgen.f90 -o latgen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wgauss.f90 -o wgauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c w0gauss.f90 -o w0gauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c w1gauss.f90 -o w1gauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c lauefft.f90 -o lauefft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c radfft.f90 -o radfft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c molecule_const.f90 -o molecule_const.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c suscept_g0.f90 -o suscept_g0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c cell_base.f90 -o cell_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c input_parameters.f90 -o input_parameters.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c parser.f90 -o parser.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c ions_base.f90 -o ions_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c becmod.f90 -o becmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c bfgs_module.f90 -o bfgs_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c check_stop.f90 -o check_stop.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c compute_dipole.f90 -o compute_dipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c environment.f90 -o environment.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c extffield.f90 -o extffield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c fd_gradient.f90 -o fd_gradient.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c xc_rVV10.f90 -o xc_rVV10.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c xc_vdW_DF.f90 -o xc_vdW_DF.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c generate_function.f90 -o generate_function.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c gradutils.f90 -o gradutils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c makov_payne.f90 -o makov_payne.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mm_dispersion.f90 -o mm_dispersion.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_namelists.f90 -o read_namelists.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c tsvdw.f90 -o tsvdw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c wannier_gw.f90 -o wannier_gw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qexsd_init.f90 -o qexsd_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c recvec_3drism.f90 -o recvec_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c xml_io_rism.f90 -o xml_io_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_mol.f90 -o read_mol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c lauefft_subs.f90 -o lauefft_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvavg.f90 -o solvavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c scale_fft_3drism.f90 -o scale_fft_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c scale_fft_lauerism.f90 -o scale_fft_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c additional_kpoints.f90 -o additional_kpoints.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c atomic_wfc_mod.f90 -o atomic_wfc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c autopilot.f90 -o autopilot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c ions_nose.f90 -o ions_nose.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c constraints_module.f90 -o constraints_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c dist.f90 -o dist.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c environ_base_module.f90 -o environ_base_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c funct.f90 -o funct.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_cards.f90 -o read_cards.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c allocate_fft_3drism.f90 -o allocate_fft_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c rism.f90 -o rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c data_structure_3drism.f90 -o data_structure_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_solv.f90 -o read_solv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qmmm.f90 -o qmmm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_pseudo.f90 -o read_pseudo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c mbdlib.f90 -o mbdlib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c qexsd.f90 -o qexsd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c chempot.f90 -o chempot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c chempot_lauerism.f90 -o chempot_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c closure.f90 -o closure.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c corrdipole_laue.f90 -o corrdipole_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c correctat0_vv.f90 -o correctat0_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c corrgxy0_laue.f90 -o corrgxy0_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c do_1drism.f90 -o do_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c do_3drism.f90 -o do_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c do_lauerism.f90 -o do_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c eqn_1drism.f90 -o eqn_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c eqn_3drism.f90 -o eqn_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c eqn_lauedipole.f90 -o eqn_lauedipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c eqn_lauegxy0.f90 -o eqn_lauegxy0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c eqn_lauelong.f90 -o eqn_lauelong.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c eqn_lauerism.f90 -o eqn_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c eqn_laueshort.f90 -o eqn_laueshort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c eqn_lauevoid.f90 -o eqn_lauevoid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c guess_3drism.f90 -o guess_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c init_1drism.f90 -o init_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c io_rism_xml.f90 -o io_rism_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solute.f90 -o solute.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c molecorr_vv.f90 -o molecorr_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c molebridge_vv.f90 -o molebridge_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c normalize_lauerism.f90 -o normalize_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c potential_3drism.f90 -o potential_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c potential_esm.f90 -o potential_esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c potential_vv.f90 -o potential_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c print_chempot_3drism.f90 -o print_chempot_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c print_chempot_lauerism.f90 -o print_chempot_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c print_chempot_vv.f90 -o print_chempot_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c print_corr_vv.f90 -o print_corr_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvation_3drism.f90 -o solvation_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvation_force.f90 -o solvation_force.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvation_lauerism.f90 -o solvation_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvation_pbc.f90 -o solvation_pbc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvation_stress.f90 -o solvation_stress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c suscept_laue.f90 -o suscept_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c suscept_laueint.f90 -o suscept_laueint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c suscept_vv.f90 -o suscept_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c write_rism_type.f90 -o write_rism_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c read_input.f90 -o read_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c rism1d_facade.f90 -o rism1d_facade.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c rism3d_facade.f90 -o rism3d_facade.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c lj_solute.f90 -o lj_solute.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c init_3drism.f90 -o init_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c input_1drism.f90 -o input_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c print_solvavg.f90 -o print_solvavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c summary_1drism.f90 -o summary_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c input_3drism.f90 -o input_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c solvation_esm.f90 -o solvation_esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c summary_3drism.f90 -o summary_3drism.o\nar ruv libqemod.a additional_kpoints.o atomic_wfc_mod.o autopilot.o ions_nose.o cell_nose.o basic_algebra_routines.o becmod.o bfgs_module.o bspline.o bz_form.o cell_base.o check_stop.o command_line_options.o compute_dipole.o constants.o constraints_module.o control_flags.o coulomb_vcut.o dist.o electrons_base.o environ_base_module.o environment.o extffield.o fd_gradient.o fft_base.o fft_rho.o fft_wave.o fsockets.o funct.o generate_function.o gradutils.o gvecw.o input_parameters.o invmat.o io_files.o io_global.o ions_base.o kind.o lmdif.o makov_payne.o mdiis.o mm_dispersion.o mp_bands.o mp_exx.o mp_global.o mp_images.o mp_pools.o mp_wave.o mp_world.o noncol.o open_close_input_file.o parameters.o parser.o plugin_flags.o plugin_arguments.o plugin_variables.o printout_base.o pw_dot.o qmmm.o random_numbers.o read_cards.o read_input.o read_namelists.o read_pseudo.o recvec.o recvec_subs.o run_info.o space_group.o set_para_diag.o set_signal.o set_vdw_corr.o copy_order_um_from_xml.o setqf.o timestep.o tsvdw.o mbdlib.o version.o wannier_gw.o wannier_new.o wavefunctions.o ws_base.o xc_vdW_DF.o xc_rVV10.o io_base.o qes_types_module.o qes_libs_module.o qes_write_module.o qes_read_module.o qes_reset_module.o qes_init_module.o qes_bcast_module.o qexsd.o qexsd_copy.o qexsd_init.o qexsd_input.o hdf5_qe.o qeh5_module.o fox_init_module.o xsf.o wyckoff.o wypos.o zvscal.o wave_gauge.o random_numbers_gpu.o atom_weight.o capital.o cryst_to_car.o expint.o generate_k_along_lines.o has_xml.o inpfile.o int_to_char.o latgen.o linpack.o matches.o plot_io.o radial_gradients.o rgen.o recips.o remove_tot_torque.o sort.o trimcheck.o test_input_file.o date_and_tim.o volume.o wgauss.o w0gauss.o w1gauss.o deviatoric.o customize_signals.o qmmm_aux.o sockets.o allocate_fft_3drism.o chempot.o chempot_lauerism.o closure.o corrdipole_laue.o correctat0_vv.o corrgxy0_laue.o cryst_to_car_2d.o data_structure_3drism.o do_1drism.o do_3drism.o do_lauerism.o eqn_1drism.o eqn_3drism.o eqn_lauedipole.o eqn_lauegxy0.o eqn_lauelong.o eqn_lauerism.o eqn_laueshort.o eqn_lauevoid.o err_rism.o guess_3drism.o init_1drism.o init_3drism.o input_1drism.o input_3drism.o io_rism_xml.o lauefft.o lauefft_subs.o lj_forcefield.o lj_solute.o molecorr_vv.o molebridge_vv.o molecule_const.o molecule_types.o mp_rism.o mp_swap_ax_rism.o normalize_lauerism.o plot_rism.o potential_3drism.o potential_esm.o potential_vv.o print_chempot_3drism.o print_chempot_lauerism.o print_chempot_vv.o print_corr_vv.o print_solvavg.o radfft.o read_mol.o read_solv.o recvec_3drism.o rism.o rism1d_facade.o rism3d_facade.o rms_residual.o scale_fft_3drism.o scale_fft_lauerism.o solute.o solvation_3drism.o solvation_esm.o solvation_force.o solvation_lauerism.o solvation_pbc.o solvation_stress.o solvavg.o solvmol.o summary_1drism.o summary_3drism.o suscept_g0.o suscept_laue.o suscept_laueint.o suscept_vv.o write_rism_type.o xml_io_rism.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqemod.a\na - additional_kpoints.o\na - atomic_wfc_mod.o\na - autopilot.o\na - ions_nose.o\na - cell_nose.o\na - basic_algebra_routines.o\na - becmod.o\na - bfgs_module.o\na - bspline.o\na - bz_form.o\na - cell_base.o\na - check_stop.o\na - command_line_options.o\na - compute_dipole.o\na - constants.o\na - constraints_module.o\na - control_flags.o\na - coulomb_vcut.o\na - dist.o\na - electrons_base.o\na - environ_base_module.o\na - environment.o\na - extffield.o\na - fd_gradient.o\na - fft_base.o\na - fft_rho.o\na - fft_wave.o\na - fsockets.o\na - funct.o\na - generate_function.o\na - gradutils.o\na - gvecw.o\na - input_parameters.o\na - invmat.o\na - io_files.o\na - io_global.o\na - ions_base.o\na - kind.o\na - lmdif.o\na - makov_payne.o\na - mdiis.o\na - mm_dispersion.o\na - mp_bands.o\na - mp_exx.o\na - mp_global.o\na - mp_images.o\na - mp_pools.o\na - mp_wave.o\na - mp_world.o\na - noncol.o\na - open_close_input_file.o\na - parameters.o\na - parser.o\na - plugin_flags.o\na - plugin_arguments.o\na - plugin_variables.o\na - printout_base.o\na - pw_dot.o\na - qmmm.o\na - random_numbers.o\na - read_cards.o\na - read_input.o\na - read_namelists.o\na - read_pseudo.o\na - recvec.o\na - recvec_subs.o\na - run_info.o\na - space_group.o\na - set_para_diag.o\na - set_signal.o\na - set_vdw_corr.o\na - copy_order_um_from_xml.o\na - setqf.o\na - timestep.o\na - tsvdw.o\na - mbdlib.o\na - version.o\na - wannier_gw.o\na - wannier_new.o\na - wavefunctions.o\na - ws_base.o\na - xc_vdW_DF.o\na - xc_rVV10.o\na - io_base.o\na - qes_types_module.o\na - qes_libs_module.o\na - qes_write_module.o\na - qes_read_module.o\na - qes_reset_module.o\na - qes_init_module.o\na - qes_bcast_module.o\na - qexsd.o\na - qexsd_copy.o\na - qexsd_init.o\na - qexsd_input.o\na - hdf5_qe.o\na - qeh5_module.o\na - fox_init_module.o\na - xsf.o\na - wyckoff.o\na - wypos.o\na - zvscal.o\na - wave_gauge.o\na - random_numbers_gpu.o\na - atom_weight.o\na - capital.o\na - cryst_to_car.o\na - expint.o\na - generate_k_along_lines.o\na - has_xml.o\na - inpfile.o\na - int_to_char.o\na - latgen.o\na - linpack.o\na - matches.o\na - plot_io.o\na - radial_gradients.o\na - rgen.o\na - recips.o\na - remove_tot_torque.o\na - sort.o\na - trimcheck.o\na - test_input_file.o\na - date_and_tim.o\na - volume.o\na - wgauss.o\na - w0gauss.o\na - w1gauss.o\na - deviatoric.o\na - customize_signals.o\na - qmmm_aux.o\na - sockets.o\na - allocate_fft_3drism.o\na - chempot.o\na - chempot_lauerism.o\na - closure.o\na - corrdipole_laue.o\na - correctat0_vv.o\na - corrgxy0_laue.o\na - cryst_to_car_2d.o\na - data_structure_3drism.o\na - do_1drism.o\na - do_3drism.o\na - do_lauerism.o\na - eqn_1drism.o\na - eqn_3drism.o\na - eqn_lauedipole.o\na - eqn_lauegxy0.o\na - eqn_lauelong.o\na - eqn_lauerism.o\na - eqn_laueshort.o\na - eqn_lauevoid.o\na - err_rism.o\na - guess_3drism.o\na - init_1drism.o\na - init_3drism.o\na - input_1drism.o\na - input_3drism.o\na - io_rism_xml.o\na - lauefft.o\na - lauefft_subs.o\na - lj_forcefield.o\na - lj_solute.o\na - molecorr_vv.o\na - molebridge_vv.o\na - molecule_const.o\na - molecule_types.o\na - mp_rism.o\na - mp_swap_ax_rism.o\na - normalize_lauerism.o\na - plot_rism.o\na - potential_3drism.o\na - potential_esm.o\na - potential_vv.o\na - print_chempot_3drism.o\na - print_chempot_lauerism.o\na - print_chempot_vv.o\na - print_corr_vv.o\na - print_solvavg.o\na - radfft.o\na - read_mol.o\na - read_solv.o\na - recvec_3drism.o\na - rism.o\na - rism1d_facade.o\na - rism3d_facade.o\na - rms_residual.o\na - scale_fft_3drism.o\na - scale_fft_lauerism.o\na - solute.o\na - solvation_3drism.o\na - solvation_esm.o\na - solvation_force.o\na - solvation_lauerism.o\na - solvation_pbc.o\na - solvation_stress.o\na - solvavg.o\na - solvmol.o\na - summary_1drism.o\na - summary_3drism.o\na - suscept_g0.o\na - suscept_laue.o\na - suscept_laueint.o\na - suscept_vv.o\na - write_rism_type.o\na - xml_io_rism.o\nranlib libqemod.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/Modules'\n( cd dft-d3 ; make TLDEPS= all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/dft-d3'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c common.f90 -o common.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c sizes.f90 -o sizes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c pars.f90 -o pars.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c core.f90 -o core.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c api.f90 -o api.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -c dftd3_qe.f90 -o dftd3_qe.o\nar ruv libdftd3qe.a common.o sizes.o pars.o core.o api.o dftd3_qe.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdftd3qe.a\na - common.o\na - sizes.o\na - pars.o\na - core.o\na - api.o\na - dftd3_qe.o\nranlib libdftd3qe.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/dft-d3'\nif test -d PW ; then \\\n( cd PW ; make pw-lib || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/PW/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c pwcom.f90 -o pwcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c start_k.f90 -o start_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c symm_base.f90 -o symm_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c extfield.f90 -o extfield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_enums.f90 -o oscdft_enums.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_indices.f90 -o oscdft_indices.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c buffers.f90 -o buffers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c atomic_wfc_mod.f90 -o atomic_wfc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c init_us_2.f90 -o init_us_2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c paw_onecenter.f90 -o paw_onecenter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c allocate_locpot.f90 -o allocate_locpot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c allocate_wfc.f90 -o allocate_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c starting_scf_mod.f90 -o starting_scf_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c atomic_wfc.f90 -o atomic_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c acfdt_in_pw.f90 -o acfdt_in_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c bp_mod.f90 -o bp_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c bp_strings.f90 -o bp_strings.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c g_psi_mod.f90 -o g_psi_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c exx_base.f90 -o exx_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c dynamics_module.f90 -o dynamics_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c fcp_dynamics.f90 -o fcp_dynamics.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c fcp_relaxation.f90 -o fcp_relaxation.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c c_phase_field.f90 -o c_phase_field.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c cdiagh.f90 -o cdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c Coul_cut_2D.f90 -o Coul_cut_2D.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c exx_band.f90 -o exx_band.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c paw_symmetry.f90 -o paw_symmetry.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c symme.f90 -o symme.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c tetra.f90 -o tetra.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c compute_deff.f90 -o compute_deff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c compute_dip.f90 -o compute_dip.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c compute_rho.f90 -o compute_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c compute_qdipol.f90 -o compute_qdipol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c compute_qdipol_so.f90 -o compute_qdipol_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c compute_ux.f90 -o compute_ux.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c coset.f90 -o coset.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c d_matrix.f90 -o d_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c divide_class.f90 -o divide_class.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c divide_class_so.f90 -o divide_class_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c divide_et_impera.f90 -o divide_et_impera.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c rotate_wfc.f90 -o rotate_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c efermig.f90 -o efermig.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c efermit.f90 -o efermit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c environ_io_stub.f90 -o environ_io_stub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c two_chem.f90 -o two_chem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c eqvect.f90 -o eqvect.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c martyna_tuckerman.f90 -o martyna_tuckerman.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c ewald_dipole.f90 -o ewald_dipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c fcp_dyn_calcavg.f90 -o fcp_dyn_calcavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c fcp_dyn_printavg.f90 -o fcp_dyn_printavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c fcp_hessian.f90 -o fcp_hessian.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c find_group.f90 -o find_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c forces_bp_efield.f90 -o forces_bp_efield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c force_ew.f90 -o force_ew.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c g_psi.f90 -o g_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c gen_at_dj.f90 -o gen_at_dj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c gen_at_dy.f90 -o gen_at_dy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c get_locals.f90 -o get_locals.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c gk_sort.f90 -o gk_sort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c gradcorr.f90 -o gradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c gweights.f90 -o gweights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c g2_kin.f90 -o g2_kin.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c hs_psi.f90 -o hs_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c h_epsi_her_apply.f90 -o h_epsi_her_apply.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c h_epsi_her_set.f90 -o h_epsi_her_set.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c irrek.f90 -o irrek.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c iweights.f90 -o iweights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c kpoint_grid.f90 -o kpoint_grid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c lchk_tauxk.f90 -o lchk_tauxk.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c make_pointlists.f90 -o make_pointlists.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c manypw.f90 -o manypw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c multable.f90 -o multable.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c n_plane_waves.f90 -o n_plane_waves.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c new_occ.f90 -o new_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c orthoatwfc.f90 -o orthoatwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c output_tau.f90 -o output_tau.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c para.f90 -o para.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_print_energies.f90 -o plugin_print_energies.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_init_ions.f90 -o plugin_init_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_init_cell.f90 -o plugin_init_cell.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_init_potential.f90 -o plugin_init_potential.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_initbase.f90 -o plugin_initbase.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_clean.f90 -o plugin_clean.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_check.f90 -o plugin_check.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_clock.f90 -o plugin_clock.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_summary.f90 -o plugin_summary.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_initialization.f90 -o plugin_initialization.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_ext_forces.f90 -o plugin_ext_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_int_forces.f90 -o plugin_int_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_read_input.f90 -o plugin_read_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c pw_init_qexsd_input.f90 -o pw_init_qexsd_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c pw2blip.f90 -o pw2blip.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c pw2casino.f90 -o pw2casino.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c rdiagh.f90 -o rdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c read_conf_from_file.f90 -o read_conf_from_file.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c rho2zeta.f90 -o rho2zeta.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c ruotaijk.f90 -o ruotaijk.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c save_in_cbands.f90 -o save_in_cbands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c set_kplusq.f90 -o set_kplusq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c set_kup_and_kdw.f90 -o set_kup_and_kdw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c set_occupations.f90 -o set_occupations.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c set_spin_vars.f90 -o set_spin_vars.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c set_vrs.f90 -o set_vrs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stop_run.f90 -o stop_run.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_ewa.f90 -o stres_ewa.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_knl.f90 -o stres_knl.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_us.f90 -o stres_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_nonloc_dft.f90 -o stres_nonloc_dft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c struct_fact.f90 -o struct_fact.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c sumkg.f90 -o sumkg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c sumkt.f90 -o sumkt.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c symmetrize_at.f90 -o symmetrize_at.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c transform_becsum_so.f90 -o transform_becsum_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c transform_becsum_nc.f90 -o transform_becsum_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c trnvecc.f90 -o trnvecc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c vcsmd.f90 -o vcsmd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c vcsubs.f90 -o vcsubs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c vloc_psi_tg.f90 -o vloc_psi_tg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c vloc_psi_acc.f90 -o vloc_psi_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c utils.f90 -o utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c wsweight.f90 -o wsweight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c ortho_wfc.f90 -o ortho_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c wannier_init.f90 -o wannier_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c wannier_check.f90 -o wannier_check.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c wannier_occ.f90 -o wannier_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c d3hess_mod.f90 -o d3hess_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c rotate_wfc_gpu.f90 -o rotate_wfc_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c hs_psi_gpu.f90 -o hs_psi_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c utils_gpu.f90 -o utils_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c a2fmod.f90 -o a2fmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_bfield.f90 -o add_bfield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_efield.f90 -o add_efield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_dmft_occ.f90 -o add_dmft_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_vuspsi.f90 -o add_vuspsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_vuspsi_acc.f90 -o add_vuspsi_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_gatefield.f90 -o add_gatefield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_paw_to_deeq.f90 -o add_paw_to_deeq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_paw_to_deeq_acc.f90 -o add_paw_to_deeq_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_wavefunction.f90 -o oscdft_wavefunction.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_input.f90 -o oscdft_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c atomic_rho.f90 -o atomic_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c bp_c_phase.f90 -o bp_c_phase.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c esm_common_mod.f90 -o esm_common_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c paw_exx.f90 -o paw_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c ewald.f90 -o ewald.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c force_us.f90 -o force_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c print_ks_energies.f90 -o print_ks_energies.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c save_in_electrons.f90 -o save_in_electrons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_forces.f90 -o oscdft_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c esm_ewald_mod.f90 -o esm_ewald_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c esm_force_mod.f90 -o esm_force_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c esm_hartree_mod.f90 -o esm_hartree_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c esm_local_mod.f90 -o esm_local_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c esm_stres_mod.f90 -o esm_stres_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_context.f90 -o oscdft_context.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_base.f90 -o oscdft_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_wavefunction_subs.f90 -o oscdft_wavefunction_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_occupations.f90 -o oscdft_occupations.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_wfcO.f90 -o oscdft_wfcO.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_functions_gpu.f90 -o oscdft_functions_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_functions.f90 -o oscdft_functions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_forces_subs.f90 -o oscdft_forces_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c restart_in_electrons.f90 -o restart_in_electrons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c ldaU.f90 -o ldaU.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c scf_mod.f90 -o scf_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c average_pp.f90 -o average_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c close_files.f90 -o close_files.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c commutator_Hx_psi.f90 -o commutator_Hx_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c hubbard.f90 -o hubbard.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c init_q_aeps.f90 -o init_q_aeps.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c intersite_V.f90 -o intersite_V.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c init_nsg.f90 -o init_nsg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c nsg_adj.f90 -o nsg_adj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c new_ns.f90 -o new_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c new_nsb.f90 -o new_nsb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c new_nsg.f90 -o new_nsg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c offset_atom_wfc.f90 -o offset_atom_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c openfil.f90 -o openfil.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c orthoUwfc.f90 -o orthoUwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plus_u_full.f90 -o plus_u_full.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c wannier_clean.f90 -o wannier_clean.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c oscdft_extended.f90 -o oscdft_extended.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c esm.f90 -o esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c rism_module.f90 -o rism_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c fcp_capacitance.f90 -o fcp_capacitance.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c force_lc.f90 -o force_lc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c h_psi_meta.f90 -o h_psi_meta.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c init_ns.f90 -o init_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c init_vloc.f90 -o init_vloc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c ns_adj.f90 -o ns_adj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_scf_energy.f90 -o plugin_scf_energy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c plugin_scf_potential.f90 -o plugin_scf_potential.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c remove_atomic_rho.f90 -o remove_atomic_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c report_mag.f90 -o report_mag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c set_rhoc.f90 -o set_rhoc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_cc.f90 -o stres_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_gradcorr.f90 -o stres_gradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_har.f90 -o stres_har.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_hub.f90 -o stres_hub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_loc.f90 -o stres_loc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stres_mgga.f90 -o stres_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c usnldiag.f90 -o usnldiag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c vhpsi.f90 -o vhpsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c write_ns.f90 -o write_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c vhpsi_gpu.f90 -o vhpsi_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_vhub_to_deeq.f90 -o add_vhub_to_deeq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_vhub_to_deeq_acc.f90 -o add_vhub_to_deeq_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c realus.f90 -o realus.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c allocate_fft.f90 -o allocate_fft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c beef.f90 -o beef.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c fcp_module.f90 -o fcp_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c sic.f90 -o sic.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c orbm_kubo.f90 -o orbm_kubo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c paw_init.f90 -o paw_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c xdm_dispersion.f90 -o xdm_dispersion.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c commutator_Vhubx_psi.f90 -o commutator_Vhubx_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c update_pot.f90 -o update_pot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c io_rho_xml.f90 -o io_rho_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c fcp_input.f90 -o fcp_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c force_cc.f90 -o force_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c force_corr.f90 -o force_corr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c force_hub.f90 -o force_hub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c add_qexsd_step.f90 -o add_qexsd_step.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c s_1psi.f90 -o s_1psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c s_psi.f90 -o s_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c s_psi_acc.f90 -o s_psi_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c v_of_rho.f90 -o v_of_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c hs_1psi_gpu.f90 -o hs_1psi_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c s_1psi_gpu.f90 -o s_1psi_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c addusdens.f90 -o addusdens.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c addusforce.f90 -o addusforce.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c addusstress.f90 -o addusstress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c newd_acc.f90 -o newd_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c gcscf_module.f90 -o gcscf_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c scissor.f90 -o scissor.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c us_exx.f90 -o us_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c data_structure.f90 -o data_structure.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c run_driver.f90 -o run_driver.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c environ_pw_module.f90 -o environ_pw_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c gcscf_input.f90 -o gcscf_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c hs_1psi.f90 -o hs_1psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c hinit0.f90 -o hinit0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c hinit1.f90 -o hinit1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c init_run.f90 -o init_run.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c mix_rho.f90 -o mix_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c move_ions.f90 -o move_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c potinit.f90 -o potinit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c print_clock_pw.f90 -o print_clock_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c setlocal.f90 -o setlocal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c sum_band.f90 -o sum_band.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c weights.f90 -o weights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c c_bands.f90 -o c_bands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c exx.f90 -o exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c compute_becsum.f90 -o compute_becsum.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c forces.f90 -o forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c clean_pw.f90 -o clean_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c loc_scdm.f90 -o loc_scdm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c h_psi.f90 -o h_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c memory_report.f90 -o memory_report.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c non_scf.f90 -o non_scf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c pw_restart_new.f90 -o pw_restart_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c pw2casino_write.f90 -o pw2casino_write.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c run_pwscf.f90 -o run_pwscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c scale_h.f90 -o scale_h.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c setup.f90 -o setup.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c stress.f90 -o stress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c summary.f90 -o summary.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c h_psi_gpu.f90 -o h_psi_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c loc_scdm_k.f90 -o loc_scdm_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c input.f90 -o input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c punch.f90 -o punch.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c read_file_new.f90 -o read_file_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c wfcinit.f90 -o wfcinit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c electrons.f90 -o electrons.o\nar ruv libpw.a a2fmod.o add_bfield.o add_efield.o add_dmft_occ.o add_vuspsi.o add_vuspsi_acc.o add_gatefield.o add_paw_to_deeq.o add_paw_to_deeq_acc.o add_vhub_to_deeq.o add_vhub_to_deeq_acc.o addusdens.o addusforce.o addusstress.o allocate_fft.o allocate_locpot.o allocate_wfc.o atomic_rho.o atomic_wfc.o atomic_wfc_mod.o average_pp.o acfdt_in_pw.o newd_acc.o beef.o bp_mod.o bp_c_phase.o bp_strings.o buffers.o c_bands.o c_phase_field.o orbm_kubo.o cdiagh.o clean_pw.o close_files.o commutator_Hx_psi.o commutator_Vhubx_psi.o compute_becsum.o compute_deff.o compute_dip.o compute_rho.o compute_qdipol.o compute_qdipol_so.o compute_ux.o coset.o Coul_cut_2D.o d_matrix.o data_structure.o divide_class.o divide_class_so.o divide_et_impera.o rotate_wfc.o run_driver.o dynamics_module.o efermig.o efermit.o electrons.o environ_pw_module.o eqvect.o esm.o esm_common_mod.o esm_ewald_mod.o esm_force_mod.o esm_hartree_mod.o esm_local_mod.o esm_stres_mod.o ewald.o ewald_dipole.o extfield.o exx_base.o exx_band.o exx.o fcp_capacitance.o fcp_dyn_calcavg.o fcp_dyn_printavg.o fcp_dynamics.o fcp_hessian.o fcp_input.o fcp_module.o fcp_relaxation.o find_group.o forces_bp_efield.o force_cc.o force_corr.o force_ew.o force_hub.o force_lc.o force_us.o forces.o g_psi.o g_psi_mod.o gcscf_input.o gcscf_module.o gen_at_dj.o gen_at_dy.o get_locals.o gk_sort.o gradcorr.o gweights.o g2_kin.o hs_psi.o hs_1psi.o h_epsi_her_apply.o h_epsi_her_set.o h_psi.o h_psi_meta.o hinit0.o hinit1.o hubbard.o init_ns.o init_q_aeps.o init_run.o init_us_2.o init_vloc.o input.o io_rho_xml.o irrek.o iweights.o intersite_V.o init_nsg.o nsg_adj.o start_k.o kpoint_grid.o lchk_tauxk.o ldaU.o make_pointlists.o manypw.o martyna_tuckerman.o memory_report.o mix_rho.o move_ions.o multable.o n_plane_waves.o new_ns.o new_nsb.o new_nsg.o new_occ.o ns_adj.o non_scf.o offset_atom_wfc.o openfil.o orthoatwfc.o orthoUwfc.o output_tau.o para.o paw_exx.o paw_init.o paw_onecenter.o paw_symmetry.o plugin_print_energies.o plugin_scf_energy.o plugin_scf_potential.o plugin_init_ions.o plugin_init_cell.o plugin_init_potential.o plugin_initbase.o plugin_clean.o plugin_check.o plugin_clock.o plugin_summary.o plugin_initialization.o plugin_ext_forces.o plugin_int_forces.o plugin_read_input.o plus_u_full.o potinit.o print_clock_pw.o print_ks_energies.o punch.o pw_restart_new.o add_qexsd_step.o pw_init_qexsd_input.o pwcom.o pw2blip.o pw2casino.o pw2casino_write.o rdiagh.o read_conf_from_file.o read_file_new.o realus.o remove_atomic_rho.o report_mag.o restart_in_electrons.o rho2zeta.o rism_module.o ruotaijk.o run_pwscf.o s_1psi.o s_psi.o s_psi_acc.o save_in_cbands.o save_in_electrons.o scale_h.o loc_scdm.o loc_scdm_k.o scf_mod.o set_kplusq.o set_kup_and_kdw.o set_occupations.o set_rhoc.o set_spin_vars.o set_vrs.o setlocal.o setup.o scissor.o sic.o starting_scf_mod.o stop_run.o stres_cc.o stres_ewa.o stres_gradcorr.o stres_har.o stres_hub.o stres_knl.o stres_loc.o stres_us.o stres_nonloc_dft.o stres_mgga.o stress.o struct_fact.o sum_band.o sumkg.o sumkt.o summary.o symme.o symm_base.o symmetrize_at.o tetra.o transform_becsum_so.o transform_becsum_nc.o trnvecc.o two_chem.o update_pot.o us_exx.o usnldiag.o v_of_rho.o vcsmd.o vcsubs.o vhpsi.o vloc_psi_tg.o vloc_psi_acc.o utils.o xdm_dispersion.o wfcinit.o write_ns.o wsweight.o weights.o ortho_wfc.o wannier_init.o wannier_check.o wannier_clean.o wannier_occ.o oscdft_input.o oscdft_context.o oscdft_base.o oscdft_enums.o oscdft_indices.o oscdft_wavefunction.o oscdft_wavefunction_subs.o oscdft_functions.o oscdft_occupations.o oscdft_wfcO.o oscdft_forces.o oscdft_forces_subs.o oscdft_extended.o d3hess_mod.o h_psi_gpu.o vhpsi_gpu.o rotate_wfc_gpu.o hs_1psi_gpu.o hs_psi_gpu.o s_1psi_gpu.o utils_gpu.o oscdft_functions_gpu.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libpw.a\na - a2fmod.o\na - add_bfield.o\na - add_efield.o\na - add_dmft_occ.o\na - add_vuspsi.o\na - add_vuspsi_acc.o\na - add_gatefield.o\na - add_paw_to_deeq.o\na - add_paw_to_deeq_acc.o\na - add_vhub_to_deeq.o\na - add_vhub_to_deeq_acc.o\na - addusdens.o\na - addusforce.o\na - addusstress.o\na - allocate_fft.o\na - allocate_locpot.o\na - allocate_wfc.o\na - atomic_rho.o\na - atomic_wfc.o\na - atomic_wfc_mod.o\na - average_pp.o\na - acfdt_in_pw.o\na - newd_acc.o\na - beef.o\na - bp_mod.o\na - bp_c_phase.o\na - bp_strings.o\na - buffers.o\na - c_bands.o\na - c_phase_field.o\na - orbm_kubo.o\na - cdiagh.o\na - clean_pw.o\na - close_files.o\na - commutator_Hx_psi.o\na - commutator_Vhubx_psi.o\na - compute_becsum.o\na - compute_deff.o\na - compute_dip.o\na - compute_rho.o\na - compute_qdipol.o\na - compute_qdipol_so.o\na - compute_ux.o\na - coset.o\na - Coul_cut_2D.o\na - d_matrix.o\na - data_structure.o\na - divide_class.o\na - divide_class_so.o\na - divide_et_impera.o\na - rotate_wfc.o\na - run_driver.o\na - dynamics_module.o\na - efermig.o\na - efermit.o\na - electrons.o\na - environ_pw_module.o\na - eqvect.o\na - esm.o\na - esm_common_mod.o\na - esm_ewald_mod.o\na - esm_force_mod.o\na - esm_hartree_mod.o\na - esm_local_mod.o\na - esm_stres_mod.o\na - ewald.o\na - ewald_dipole.o\na - extfield.o\na - exx_base.o\na - exx_band.o\na - exx.o\na - fcp_capacitance.o\na - fcp_dyn_calcavg.o\na - fcp_dyn_printavg.o\na - fcp_dynamics.o\na - fcp_hessian.o\na - fcp_input.o\na - fcp_module.o\na - fcp_relaxation.o\na - find_group.o\na - forces_bp_efield.o\na - force_cc.o\na - force_corr.o\na - force_ew.o\na - force_hub.o\na - force_lc.o\na - force_us.o\na - forces.o\na - g_psi.o\na - g_psi_mod.o\na - gcscf_input.o\na - gcscf_module.o\na - gen_at_dj.o\na - gen_at_dy.o\na - get_locals.o\na - gk_sort.o\na - gradcorr.o\na - gweights.o\na - g2_kin.o\na - hs_psi.o\na - hs_1psi.o\na - h_epsi_her_apply.o\na - h_epsi_her_set.o\na - h_psi.o\na - h_psi_meta.o\na - hinit0.o\na - hinit1.o\na - hubbard.o\na - init_ns.o\na - init_q_aeps.o\na - init_run.o\na - init_us_2.o\na - init_vloc.o\na - input.o\na - io_rho_xml.o\na - irrek.o\na - iweights.o\na - intersite_V.o\na - init_nsg.o\na - nsg_adj.o\na - start_k.o\na - kpoint_grid.o\na - lchk_tauxk.o\na - ldaU.o\na - make_pointlists.o\na - manypw.o\na - martyna_tuckerman.o\na - memory_report.o\na - mix_rho.o\na - move_ions.o\na - multable.o\na - n_plane_waves.o\na - new_ns.o\na - new_nsb.o\na - new_nsg.o\na - new_occ.o\na - ns_adj.o\na - non_scf.o\na - offset_atom_wfc.o\na - openfil.o\na - orthoatwfc.o\na - orthoUwfc.o\na - output_tau.o\na - para.o\na - paw_exx.o\na - paw_init.o\na - paw_onecenter.o\na - paw_symmetry.o\na - plugin_print_energies.o\na - plugin_scf_energy.o\na - plugin_scf_potential.o\na - plugin_init_ions.o\na - plugin_init_cell.o\na - plugin_init_potential.o\na - plugin_initbase.o\na - plugin_clean.o\na - plugin_check.o\na - plugin_clock.o\na - plugin_summary.o\na - plugin_initialization.o\na - plugin_ext_forces.o\na - plugin_int_forces.o\na - plugin_read_input.o\na - plus_u_full.o\na - potinit.o\na - print_clock_pw.o\na - print_ks_energies.o\na - punch.o\na - pw_restart_new.o\na - add_qexsd_step.o\na - pw_init_qexsd_input.o\na - pwcom.o\na - pw2blip.o\na - pw2casino.o\na - pw2casino_write.o\na - rdiagh.o\na - read_conf_from_file.o\na - read_file_new.o\na - realus.o\na - remove_atomic_rho.o\na - report_mag.o\na - restart_in_electrons.o\na - rho2zeta.o\na - rism_module.o\na - ruotaijk.o\na - run_pwscf.o\na - s_1psi.o\na - s_psi.o\na - s_psi_acc.o\na - save_in_cbands.o\na - save_in_electrons.o\na - scale_h.o\na - loc_scdm.o\na - loc_scdm_k.o\na - scf_mod.o\na - set_kplusq.o\na - set_kup_and_kdw.o\na - set_occupations.o\na - set_rhoc.o\na - set_spin_vars.o\na - set_vrs.o\na - setlocal.o\na - setup.o\na - scissor.o\na - sic.o\na - starting_scf_mod.o\na - stop_run.o\na - stres_cc.o\na - stres_ewa.o\na - stres_gradcorr.o\na - stres_har.o\na - stres_hub.o\na - stres_knl.o\na - stres_loc.o\na - stres_us.o\na - stres_nonloc_dft.o\na - stres_mgga.o\na - stress.o\na - struct_fact.o\na - sum_band.o\na - sumkg.o\na - sumkt.o\na - summary.o\na - symme.o\na - symm_base.o\na - symmetrize_at.o\na - tetra.o\na - transform_becsum_so.o\na - transform_becsum_nc.o\na - trnvecc.o\na - two_chem.o\na - update_pot.o\na - us_exx.o\na - usnldiag.o\na - v_of_rho.o\na - vcsmd.o\na - vcsubs.o\na - vhpsi.o\na - vloc_psi_tg.o\na - vloc_psi_acc.o\na - utils.o\na - xdm_dispersion.o\na - wfcinit.o\na - write_ns.o\na - wsweight.o\na - weights.o\na - ortho_wfc.o\na - wannier_init.o\na - wannier_check.o\na - wannier_clean.o\na - wannier_occ.o\na - oscdft_input.o\na - oscdft_context.o\na - oscdft_base.o\na - oscdft_enums.o\na - oscdft_indices.o\na - oscdft_wavefunction.o\na - oscdft_wavefunction_subs.o\na - oscdft_functions.o\na - oscdft_occupations.o\na - oscdft_wfcO.o\na - oscdft_forces.o\na - oscdft_forces_subs.o\na - oscdft_extended.o\na - d3hess_mod.o\na - h_psi_gpu.o\na - vhpsi_gpu.o\na - rotate_wfc_gpu.o\na - hs_1psi_gpu.o\na - hs_psi_gpu.o\na - s_1psi_gpu.o\na - utils_gpu.o\na - oscdft_functions_gpu.o\nranlib libpw.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/PW/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/PW'\nif test -d PW ; then \\\n( cd PW ; make TLDEPS= all || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.5/PW'\n( cd src ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/PW/src'\nif test -n \"\" ; then \\\n( cd ../.. ; make || exit 1 ) ; fi\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../../dft-d3/ -c pwscf.f90 -o pwscf.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pw.x \\\n pwscf.o libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.5//Modules/libqemod.a /kaggle/working/q-e-qe-7.5//upflib/libupf.a /kaggle/working/q-e-qe-7.5//XClib/xc_lib.a /kaggle/working/q-e-qe-7.5//FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.5//LAXlib/libqela.a /kaggle/working/q-e-qe-7.5//UtilXlib/libutil.a /kaggle/working/q-e-qe-7.5//MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand /kaggle/working/q-e-qe-7.5//external/devxlib/src/libdevXlib.a -L/kaggle/working/q-e-qe-7.5//external/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin; ln -fs ../PW/src/pw.x . ; \\\n ln -fs ../PW/src/pw.x dist.x ; ln -fs ../PW/src/pw.x manypw.x ; )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/PW/src'\n( cd tools ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.5/PW/tools'\nif test -n \"\" ; then \\\n( cd ../.. ; make || exit 1 ) ; fi\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../src -I../../dft-d3/ -c ev.f90 -o ev.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../src -I../../dft-d3/ -c kpoints.f90 -o kpoints.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../src -I../../dft-d3/ -c pwi2xsf.f90 -o pwi2xsf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../src -I../../dft-d3/ -c ibrav2cell.f90 -o ibrav2cell.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../src -I../../dft-d3/ -c cell2ibrav.f90 -o cell2ibrav.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../src -I../../dft-d3/ -c scan_ibrav.f90 -o scan_ibrav.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I/kaggle/working/q-e-qe-7.5//external/devxlib/include -acc -I/kaggle/working/q-e-qe-7.5//external/devxlib/src -I. -I/kaggle/working/q-e-qe-7.5//include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.5//upflib -I/kaggle/working/q-e-qe-7.5//XClib -I/kaggle/working/q-e-qe-7.5//Modules -I/kaggle/working/q-e-qe-7.5//FFTXlib/src -I/kaggle/working/q-e-qe-7.5//LAXlib -I/kaggle/working/q-e-qe-7.5//UtilXlib -I/kaggle/working/q-e-qe-7.5//MBD -I/kaggle/working/q-e-qe-7.5//KS_Solvers -I../src -I../../dft-d3/ -c rism1d.f90 -o rism1d.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o kpoints.x \\\n\tkpoints.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.5//Modules/libqemod.a /kaggle/working/q-e-qe-7.5//upflib/libupf.a /kaggle/working/q-e-qe-7.5//XClib/xc_lib.a /kaggle/working/q-e-qe-7.5//FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.5//LAXlib/libqela.a /kaggle/working/q-e-qe-7.5//UtilXlib/libutil.a /kaggle/working/q-e-qe-7.5//MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand /kaggle/working/q-e-qe-7.5//external/devxlib/src/libdevXlib.a -L/kaggle/working/q-e-qe-7.5//external/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pwi2xsf.x \\\n\tpwi2xsf.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.5//Modules/libqemod.a /kaggle/working/q-e-qe-7.5//upflib/libupf.a /kaggle/working/q-e-qe-7.5//XClib/xc_lib.a /kaggle/working/q-e-qe-7.5//FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.5//LAXlib/libqela.a /kaggle/working/q-e-qe-7.5//UtilXlib/libutil.a /kaggle/working/q-e-qe-7.5//MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand /kaggle/working/q-e-qe-7.5//external/devxlib/src/libdevXlib.a -L/kaggle/working/q-e-qe-7.5//external/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ibrav2cell.x \\\n\tibrav2cell.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.5//Modules/libqemod.a /kaggle/working/q-e-qe-7.5//upflib/libupf.a /kaggle/working/q-e-qe-7.5//XClib/xc_lib.a /kaggle/working/q-e-qe-7.5//FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.5//LAXlib/libqela.a /kaggle/working/q-e-qe-7.5//UtilXlib/libutil.a /kaggle/working/q-e-qe-7.5//MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand /kaggle/working/q-e-qe-7.5//external/devxlib/src/libdevXlib.a -L/kaggle/working/q-e-qe-7.5//external/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o cell2ibrav.x \\\n\tcell2ibrav.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.5//Modules/libqemod.a /kaggle/working/q-e-qe-7.5//upflib/libupf.a /kaggle/working/q-e-qe-7.5//XClib/xc_lib.a /kaggle/working/q-e-qe-7.5//FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.5//LAXlib/libqela.a /kaggle/working/q-e-qe-7.5//UtilXlib/libutil.a /kaggle/working/q-e-qe-7.5//MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand /kaggle/working/q-e-qe-7.5//external/devxlib/src/libdevXlib.a -L/kaggle/working/q-e-qe-7.5//external/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/kpoints.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o scan_ibrav.x \\\n\tscan_ibrav.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.5//Modules/libqemod.a /kaggle/working/q-e-qe-7.5//upflib/libupf.a /kaggle/working/q-e-qe-7.5//XClib/xc_lib.a /kaggle/working/q-e-qe-7.5//FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.5//LAXlib/libqela.a /kaggle/working/q-e-qe-7.5//UtilXlib/libutil.a /kaggle/working/q-e-qe-7.5//MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand /kaggle/working/q-e-qe-7.5//external/devxlib/src/libdevXlib.a -L/kaggle/working/q-e-qe-7.5//external/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/pwi2xsf.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o rism1d.x \\\n\trism1d.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.5//Modules/libqemod.a /kaggle/working/q-e-qe-7.5//upflib/libupf.a /kaggle/working/q-e-qe-7.5//XClib/xc_lib.a /kaggle/working/q-e-qe-7.5//FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.5//LAXlib/libqela.a /kaggle/working/q-e-qe-7.5//UtilXlib/libutil.a /kaggle/working/q-e-qe-7.5//MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand /kaggle/working/q-e-qe-7.5//external/devxlib/src/libdevXlib.a -L/kaggle/working/q-e-qe-7.5//external/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/cell2ibrav.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ev.x \\\n\tev.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.5//Modules/libqemod.a /kaggle/working/q-e-qe-7.5//upflib/libupf.a /kaggle/working/q-e-qe-7.5//XClib/xc_lib.a /kaggle/working/q-e-qe-7.5//FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.5//LAXlib/libqela.a /kaggle/working/q-e-qe-7.5//UtilXlib/libutil.a /kaggle/working/q-e-qe-7.5//MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand /kaggle/working/q-e-qe-7.5//external/devxlib/src/libdevXlib.a -L/kaggle/working/q-e-qe-7.5//external/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/ibrav2cell.x . )\n( cd ../../bin ; ln -fs ../PW/tools/scan_ibrav.x . )\n( cd ../../bin ; ln -fs ../PW/tools/ev.x . )\n( cd ../../bin ; ln -fs ../PW/tools/rism1d.x . )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.5/PW/tools'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.5/PW'\n","output_type":"stream"}],"execution_count":7},{"cell_type":"markdown","source":"Below code runs QE and the analysis.","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > run_qe.sh << 'EOF'\n#!/bin/bash\nexport CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\nexec /kaggle/working/q-e-qe-7.5/bin/pw.x -nb 4 -in input.in > output.out\nEOF\nchmod +x run_qe.sh\n\nmpirun --allow-run-as-root -np 2 \\\n --bind-to none \\\n ./run_qe.sh || true","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T08:45:09.521870Z","iopub.execute_input":"2026-07-30T08:45:09.522428Z","iopub.status.idle":"2026-07-30T09:02:52.101648Z","shell.execute_reply.started":"2026-07-30T08:45:09.522392Z","shell.execute_reply":"2026-07-30T09:02:52.100583Z"}},"outputs":[{"name":"stderr","text":"FORTRAN STOP\nWarning: ieee_invalid is signaling\nWarning: ieee_divide_by_zero is signaling\nWarning: ieee_inexact is signaling\nFORTRAN STOP\n","output_type":"stream"}],"execution_count":14},{"cell_type":"markdown","source":"Check outputs for any errors(saves a lot of time compared to trying to use mpirun error codes)","metadata":{}},{"cell_type":"code","source":"!cat output.out","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T09:02:52.103264Z","iopub.execute_input":"2026-07-30T09:02:52.103580Z","iopub.status.idle":"2026-07-30T09:02:52.234373Z","shell.execute_reply.started":"2026-07-30T09:02:52.103556Z","shell.execute_reply":"2026-07-30T09:02:52.233266Z"}},"outputs":[{"name":"stdout","text":"\n Program PWSCF v.7.5 starts on 30Jul2026 at 8:45: 9 \n\n This program is part of the open-source Quantum ESPRESSO suite\n for quantum simulation of materials; please cite\n \"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);\n \"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);\n \"P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);\n URL http://www.quantum-espresso.org\", \n in publications or presentations arising from this work. More details at\n http://www.quantum-espresso.org/quote\n\n Serial version\n 4537 MiB available memory on the printing compute node when the environment starts\n \n Reading input from input.in\n\n Current dimensions of program PWSCF are:\n Max number of different atomic species (ntypx) = 10\n Max number of k-points (npk) = 40000\n Max angular momentum in pseudopotentials (lmaxx) = 4\n Stress calculation not meaningful in isolated systems\n\n file N.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S renormalized\n file C.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S 2P renormalized\n file O.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S 2P renormalized\n\n IMPORTANT: XC functional enforced from input :\n Exchange-correlation= PBE\n ( 1 4 3 4 0 0 0)\n Any further DFT definition will be discarded\n Please, verify this is what you really want\n\n\n gamma-point specific algorithms are used\n \n \n G-vector sticks info\n --------------------\n sticks: dense smooth PW G-vecs: dense smooth PW\n Sum 40945 20461 5129 6227117 2201421 274961\n \n Using Slab Decomposition\n \n\n\n bravais-lattice index = 0\n lattice parameter (alat) = 37.7945 a.u.\n unit-cell volume = 53986.6760 (a.u.)^3\n number of atoms/cell = 40\n number of atomic types = 3\n number of electrons = 214.00\n number of Kohn-Sham states= 112\n kinetic-energy cutoff = 45.0000 Ry\n charge density cutoff = 360.0000 Ry\n scf convergence threshold = 1.0E-08\n mixing beta = 0.3000\n number of iterations used = 8 local-TF mixing\n energy convergence thresh.= 1.0E-04\n force convergence thresh. = 1.0E-03\n Exchange-correlation= PBE\n ( 1 4 3 4 0 0 0)\n nstep = 50\n\n\n GPU acceleration is ACTIVE. 1 visible GPUs per MPI rank\n\n Assuming isolated system, Martyna-Tuckerman method\n\n\n celldm(1)= 37.794522 celldm(2)= 0.000000 celldm(3)= 0.000000\n celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000\n\n crystal axes: (cart. coord. in units of alat)\n a(1) = ( 1.000000 0.000000 0.000000 ) \n a(2) = ( 0.000000 1.000000 0.000000 ) \n a(3) = ( 0.000000 0.000000 1.000000 ) \n\n reciprocal axes: (cart. coord. in units 2 pi/alat)\n b(1) = ( 1.000000 0.000000 0.000000 ) \n b(2) = ( 0.000000 1.000000 0.000000 ) \n b(3) = ( 0.000000 0.000000 1.000000 ) \n\n\n PseudoPot. # 1 for N read from file:\n ./pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF\n MD5 check sum: 14c48229446f9f2d411169a3abcbc3fa\n Pseudo is Projector augmented-wave + core cor, Zval = 5.0\n Generated using "atomic" code by A. Dal Corso v.6.3\n Shape of augmentation charge: PSQ\n Using radial grid of 1085 points, 4 beta functions with: \n l(1) = 0\n l(2) = 0\n l(3) = 1\n l(4) = 1\n Q(r) pseudized with 0 coefficients \n\n\n PseudoPot. # 2 for C read from file:\n ./pseudo/C.pbe-n-kjpaw_psl.1.0.0.UPF\n MD5 check sum: 5f16ad9a65e90284d1d834d4ab3b0f7d\n Pseudo is Projector augmented-wave + core cor, Zval = 4.0\n Generated using "atomic" code by A. Dal Corso v.6.3\n Shape of augmentation charge: PSQ\n Using radial grid of 1073 points, 4 beta functions with: \n l(1) = 0\n l(2) = 0\n l(3) = 1\n l(4) = 1\n Q(r) pseudized with 0 coefficients \n\n\n PseudoPot. # 3 for O read from file:\n ./pseudo/O.pbe-n-kjpaw_psl.1.0.0.UPF\n MD5 check sum: e99d9cef9b487d1ca56f5b95ecd0fd7a\n Pseudo is Projector augmented-wave + core cor, Zval = 6.0\n Generated using "atomic" code by A. Dal Corso v.6.3\n Shape of augmentation charge: PSQ\n Using radial grid of 1095 points, 4 beta functions with: \n l(1) = 0\n l(2) = 0\n l(3) = 1\n l(4) = 1\n Q(r) pseudized with 0 coefficients \n\n\n atomic species valence mass pseudopotential\n N 5.00 14.00700 N ( 1.00)\n C 4.00 12.00000 C ( 1.00)\n O 6.00 16.00000 O ( 1.00)\n\n No symmetry found\n\n\n\n Cartesian axes\n\n site n. atom positions (alat units)\n 1 N tau( 1) = ( 0.5442696 0.5250549 0.4722695 )\n 2 N tau( 2) = ( 0.5603382 0.4577031 0.4530804 )\n 3 N tau( 3) = ( 0.5651545 0.4359939 0.5211068 )\n 4 N tau( 4) = ( 0.6351172 0.4490598 0.5208343 )\n 5 N tau( 5) = ( 0.6213379 0.5220462 0.5408817 )\n 6 C tau( 6) = ( 0.6133900 0.5420130 0.4691470 )\n 7 C tau( 7) = ( 0.6396019 0.6089819 0.4366548 )\n 8 N tau( 8) = ( 0.7146386 0.6098064 0.4432914 )\n 9 O tau( 9) = ( 0.7284335 0.6042607 0.5104961 )\n 10 O tau( 10) = ( 0.7371529 0.5511936 0.4151277 )\n 11 N tau( 11) = ( 0.6189668 0.6093873 0.3634015 )\n 12 N tau( 12) = ( 0.6404371 0.5495858 0.3291519 )\n 13 O tau( 13) = ( 0.6789012 0.5621517 0.2742994 )\n 14 O tau( 14) = ( 0.5856897 0.5126427 0.3119959 )\n 15 N tau( 15) = ( 0.6160483 0.6727821 0.3249513 )\n 16 N tau( 16) = ( 0.5634062 0.6796498 0.2737709 )\n 17 O tau( 17) = ( 0.5046925 0.6551035 0.3010716 )\n 18 O tau( 18) = ( 0.5786576 0.6405548 0.2192991 )\n 19 N tau( 19) = ( 0.6739297 0.7128545 0.3151055 )\n 20 N tau( 20) = ( 0.7253942 0.6914673 0.2694967 )\n 21 O tau( 21) = ( 0.7382732 0.7379094 0.2208604 )\n 22 O tau( 22) = ( 0.7832096 0.6819716 0.3066256 )\n 23 N tau( 23) = ( 0.6832394 0.7739866 0.3550635 )\n 24 N tau( 24) = ( 0.6504628 0.8341122 0.3266570 )\n 25 O tau( 25) = ( 0.5818152 0.8216765 0.3237975 )\n 26 O tau( 26) = ( 0.6706632 0.8461025 0.2622949 )\n 27 N tau( 27) = ( 0.6698867 0.7646783 0.4282428 )\n 28 N tau( 28) = ( 0.6904843 0.8206350 0.4719688 )\n 29 O tau( 29) = ( 0.7583718 0.8298867 0.4637674 )\n 30 O tau( 30) = ( 0.6591636 0.8788048 0.4513982 )\n 31 N tau( 31) = ( 0.6067420 0.7335414 0.4439924 )\n 32 N tau( 32) = ( 0.5469890 0.7758037 0.4555312 )\n 33 O tau( 33) = ( 0.5459279 0.7973429 0.5208320 )\n 34 O tau( 34) = ( 0.4914183 0.7355152 0.4463151 )\n 35 N tau( 35) = ( 0.6073129 0.6666437 0.4744138 )\n 36 N tau( 36) = ( 0.6204479 0.6633207 0.5455089 )\n 37 O tau( 37) = ( 0.6517388 0.7193831 0.5692587 )\n 38 O tau( 38) = ( 0.5615290 0.6533228 0.5785499 )\n 39 N tau( 39) = ( 0.6300941 0.4725863 0.4477702 )\n 40 N tau( 40) = ( 0.5519394 0.5037239 0.5401663 )\n\n --------------------------------------------\n DFT-D3 Dispersion Correction (no 3-body):\n --------------------------------------------\n Reference C6 values for interpolation: \n\n atom Coordination number C6\n C 0.000 98.23\n C 0.987 86.49\n C 1.998 58.72\n C 2.999 51.56\n C 3.984 36.41\n N 0.000 50.54\n N 0.994 44.25\n N 2.014 39.35\n N 2.990 31.16\n O 0.000 31.01\n O 0.993 25.63\n O 1.989 20.74\n\n Values used:\n\n atom Coordination number R0_AB[au] C6 C8\n N 3.634 2.478 31.16 687.51\n N 3.967 2.478 31.16 687.49\n N 3.564 2.478 31.17 687.53\n N 3.642 2.478 31.16 687.51\n N 3.551 2.478 31.17 687.54\n C 4.968 2.750 36.41 1053.14\n C 4.178 2.750 36.47 1054.85\n N 3.060 2.478 31.26 689.63\n O 1.075 2.345 25.50 514.58\n O 1.076 2.345 25.50 514.54\n N 3.140 2.478 31.22 688.64\n N 3.061 2.478 31.26 689.61\n O 1.047 2.345 25.55 515.55\n O 1.048 2.345 25.54 515.50\n N 3.126 2.478 31.22 688.78\n N 3.023 2.478 31.29 690.34\n O 1.043 2.345 25.55 515.66\n O 1.042 2.345 25.55 515.70\n N 3.134 2.478 31.22 688.70\n N 3.027 2.478 31.29 690.25\n O 1.040 2.345 25.56 515.78\n O 1.045 2.345 25.55 515.61\n N 3.098 2.478 31.24 689.09\n N 3.026 2.478 31.29 690.26\n O 1.046 2.345 25.55 515.58\n O 1.040 2.345 25.56 515.78\n N 3.110 2.478 31.23 688.94\n N 3.022 2.478 31.29 690.36\n O 1.041 2.345 25.56 515.75\n O 1.044 2.345 25.55 515.63\n N 3.134 2.478 31.22 688.69\n N 3.019 2.478 31.30 690.43\n O 1.042 2.345 25.55 515.70\n O 1.043 2.345 25.55 515.66\n N 3.146 2.478 31.21 688.59\n N 3.063 2.478 31.26 689.59\n O 1.046 2.345 25.55 515.59\n O 1.047 2.345 25.55 515.53\n N 3.546 2.478 31.17 687.54\n N 3.945 2.478 31.16 687.49\n\n Molecular C6 ( Ry / a.u.^6 ) = 46510.31\n\n\n number of k points= 1\n cart. coord. in units 2pi/alat\n k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 2.0000000\n\n Dense grid: 3113559 G-vectors FFT dimensions: ( 240, 240, 240)\n\n Smooth grid: 1100711 G-vectors FFT dimensions: ( 162, 162, 162)\n\n Estimated max dynamical RAM per process > 8.24 GB\n\n Atomic positions and unit cell read from directory:\n ./tmp/calc.save/\n \n\n Check: negative core charge= -0.000001\n\n The initial density is read from file :\n ./tmp/calc.save/charge-density\n\n\n negative rho (up, down): 2.687E-02 0.000E+00\n Starting wfcs from file\n\n total cpu time spent up to now is 9.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-05, avg # of iterations = 1.0\n\n Threshold (ethr) on eigenvalues was too large:\n Diagonalizing with lowered threshold\n\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 15.3 secs\n\n total energy = -1318.69595219 Ry\n estimated scf accuracy < 0.00002923 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.762E-02 0.000E+00\n\n total cpu time spent up to now is 19.4 secs\n\n total energy = -1318.69594924 Ry\n estimated scf accuracy < 0.73173862 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.768E-02 0.000E+00\n\n total cpu time spent up to now is 23.4 secs\n\n total energy = -1318.69595398 Ry\n estimated scf accuracy < 0.17634000 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.696E-02 0.000E+00\n\n total cpu time spent up to now is 27.5 secs\n\n total energy = -1318.69595640 Ry\n estimated scf accuracy < 0.00032659 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.661E-02 0.000E+00\n\n total cpu time spent up to now is 31.8 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00040829 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.643E-02 0.000E+00\n\n total cpu time spent up to now is 36.0 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00045832 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.635E-02 0.000E+00\n\n total cpu time spent up to now is 40.2 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00046987 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.631E-02 0.000E+00\n\n total cpu time spent up to now is 44.6 secs\n\n total energy = -1318.69595588 Ry\n estimated scf accuracy < 0.00040734 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.712E-02 0.000E+00\n\n total cpu time spent up to now is 48.9 secs\n\n total energy = -1318.69595146 Ry\n estimated scf accuracy < 0.70782268 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.667E-02 0.000E+00\n\n total cpu time spent up to now is 53.2 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00057714 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.646E-02 0.000E+00\n\n total cpu time spent up to now is 57.5 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00034031 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.635E-02 0.000E+00\n\n total cpu time spent up to now is 61.7 secs\n\n total energy = -1318.69595590 Ry\n estimated scf accuracy < 0.00008042 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.630E-02 0.000E+00\n\n total cpu time spent up to now is 66.0 secs\n\n total energy = -1318.69595590 Ry\n estimated scf accuracy < 0.00002358 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 70.4 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00038397 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 74.7 secs\n\n total energy = -1318.69595590 Ry\n estimated scf accuracy < 0.00027929 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 79.0 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00035213 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 83.3 secs\n\n total energy = -1318.69595594 Ry\n estimated scf accuracy < 0.00003894 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 87.6 secs\n\n total energy = -1318.69595593 Ry\n estimated scf accuracy < 0.00002330 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 91.9 secs\n\n total energy = -1318.69595592 Ry\n estimated scf accuracy < 0.00008193 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 96.2 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00016956 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 100.4 secs\n\n total energy = -1318.69595581 Ry\n estimated scf accuracy < 0.00438551 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 104.7 secs\n\n total energy = -1318.69595592 Ry\n estimated scf accuracy < 0.00114451 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 108.9 secs\n\n total energy = -1318.69595594 Ry\n estimated scf accuracy < 0.00008593 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 113.2 secs\n\n total energy = -1318.69595594 Ry\n estimated scf accuracy < 0.00014043 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 117.4 secs\n\n total energy = -1318.69595593 Ry\n estimated scf accuracy < 0.00014171 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 121.7 secs\n\n total energy = -1318.69595594 Ry\n estimated scf accuracy < 0.00020043 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 125.8 secs\n\n total energy = -1318.69595594 Ry\n estimated scf accuracy < 0.00021838 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 130.1 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00043226 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 134.4 secs\n\n total energy = -1318.69595596 Ry\n estimated scf accuracy < 0.00095163 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 138.7 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00036494 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 142.9 secs\n\n total energy = -1318.69595592 Ry\n estimated scf accuracy < 0.00109236 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 147.1 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00002458 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 151.3 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00004551 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 155.6 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00003183 Ry\n\n iteration # 35 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 159.7 secs\n\n total energy = -1318.69595596 Ry\n estimated scf accuracy < 0.00020095 Ry\n\n iteration # 36 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 164.0 secs\n\n total energy = -1318.69595596 Ry\n estimated scf accuracy < 0.00021023 Ry\n\n iteration # 37 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 168.2 secs\n\n total energy = -1318.69595597 Ry\n estimated scf accuracy < 0.00029194 Ry\n\n iteration # 38 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 172.4 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00031705 Ry\n\n iteration # 39 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 176.6 secs\n\n total energy = -1318.69595597 Ry\n estimated scf accuracy < 0.00025303 Ry\n\n iteration # 40 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 180.8 secs\n\n total energy = -1318.69595593 Ry\n estimated scf accuracy < 0.00020056 Ry\n\n iteration # 41 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.688E-02 0.000E+00\n\n total cpu time spent up to now is 185.1 secs\n\n total energy = -1318.69594381 Ry\n estimated scf accuracy < 0.72370926 Ry\n\n iteration # 42 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.655E-02 0.000E+00\n\n total cpu time spent up to now is 189.3 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00008788 Ry\n\n iteration # 43 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.640E-02 0.000E+00\n\n total cpu time spent up to now is 193.5 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00009064 Ry\n\n iteration # 44 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 197.7 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00007198 Ry\n\n iteration # 45 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.629E-02 0.000E+00\n\n total cpu time spent up to now is 201.9 secs\n\n total energy = -1318.69595604 Ry\n estimated scf accuracy < 0.00004856 Ry\n\n iteration # 46 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 206.1 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00003816 Ry\n\n iteration # 47 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 210.3 secs\n\n total energy = -1318.69595609 Ry\n estimated scf accuracy < 0.00003200 Ry\n\n iteration # 48 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 214.5 secs\n\n total energy = -1318.69595607 Ry\n estimated scf accuracy < 0.00003134 Ry\n\n iteration # 49 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 218.7 secs\n\n total energy = -1318.69595608 Ry\n estimated scf accuracy < 0.00003064 Ry\n\n iteration # 50 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 222.9 secs\n\n total energy = -1318.69595643 Ry\n estimated scf accuracy < 0.00002429 Ry\n\n iteration # 51 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.624E-02 0.000E+00\n\n total cpu time spent up to now is 227.1 secs\n\n total energy = -1318.69595631 Ry\n estimated scf accuracy < 0.00008893 Ry\n\n iteration # 52 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 231.3 secs\n\n total energy = -1318.69595579 Ry\n estimated scf accuracy < 0.00019541 Ry\n\n iteration # 53 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.688E-02 0.000E+00\n\n total cpu time spent up to now is 235.5 secs\n\n total energy = -1318.69592223 Ry\n estimated scf accuracy < 0.72210124 Ry\n\n iteration # 54 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.655E-02 0.000E+00\n\n total cpu time spent up to now is 239.7 secs\n\n total energy = -1318.69595615 Ry\n estimated scf accuracy < 0.00002690 Ry\n\n iteration # 55 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.639E-02 0.000E+00\n\n total cpu time spent up to now is 243.9 secs\n\n total energy = -1318.69595609 Ry\n estimated scf accuracy < 0.00002616 Ry\n\n iteration # 56 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 248.2 secs\n\n total energy = -1318.69595610 Ry\n estimated scf accuracy < 0.00002572 Ry\n\n iteration # 57 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 252.4 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00002567 Ry\n\n iteration # 58 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 256.6 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00002606 Ry\n\n iteration # 59 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 260.8 secs\n\n total energy = -1318.69595612 Ry\n estimated scf accuracy < 0.00002606 Ry\n\n iteration # 60 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 264.9 secs\n\n total energy = -1318.69595614 Ry\n estimated scf accuracy < 0.00002546 Ry\n\n iteration # 61 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 269.1 secs\n\n total energy = -1318.69595615 Ry\n estimated scf accuracy < 0.00002634 Ry\n\n iteration # 62 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.633E-02 0.000E+00\n\n total cpu time spent up to now is 273.3 secs\n\n total energy = -1318.69595208 Ry\n estimated scf accuracy < 0.00002552 Ry\n\n iteration # 63 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.690E-02 0.000E+00\n\n total cpu time spent up to now is 277.5 secs\n\n total energy = -1318.69591013 Ry\n estimated scf accuracy < 0.73866533 Ry\n\n iteration # 64 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 281.7 secs\n\n total energy = -1318.69595614 Ry\n estimated scf accuracy < 0.00002672 Ry\n\n iteration # 65 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.640E-02 0.000E+00\n\n total cpu time spent up to now is 285.9 secs\n\n total energy = -1318.69595604 Ry\n estimated scf accuracy < 0.00002588 Ry\n\n iteration # 66 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 290.1 secs\n\n total energy = -1318.69595604 Ry\n estimated scf accuracy < 0.00002444 Ry\n\n iteration # 67 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 294.3 secs\n\n total energy = -1318.69595607 Ry\n estimated scf accuracy < 0.00002487 Ry\n\n iteration # 68 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 298.5 secs\n\n total energy = -1318.69595604 Ry\n estimated scf accuracy < 0.00002506 Ry\n\n iteration # 69 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 302.7 secs\n\n total energy = -1318.69595602 Ry\n estimated scf accuracy < 0.00002542 Ry\n\n iteration # 70 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 307.0 secs\n\n total energy = -1318.69595598 Ry\n estimated scf accuracy < 0.00002303 Ry\n\n iteration # 71 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 311.3 secs\n\n total energy = -1318.69595590 Ry\n estimated scf accuracy < 0.00002602 Ry\n\n iteration # 72 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.691E-02 0.000E+00\n\n total cpu time spent up to now is 315.6 secs\n\n total energy = -1318.69595238 Ry\n estimated scf accuracy < 0.72260967 Ry\n\n iteration # 73 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.657E-02 0.000E+00\n\n total cpu time spent up to now is 319.8 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00003231 Ry\n\n iteration # 74 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.766E-02 0.000E+00\n\n total cpu time spent up to now is 324.1 secs\n\n total energy = -1318.69596074 Ry\n estimated scf accuracy < 0.72275657 Ry\n\n iteration # 75 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.885E-02 0.000E+00\n\n total cpu time spent up to now is 328.3 secs\n\n total energy = -1318.69596699 Ry\n estimated scf accuracy < 0.72092692 Ry\n\n iteration # 76 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.986E-02 0.000E+00\n\n total cpu time spent up to now is 332.5 secs\n\n total energy = -1318.69599146 Ry\n estimated scf accuracy < 0.72251649 Ry\n\n iteration # 77 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.066E-02 0.000E+00\n\n total cpu time spent up to now is 336.7 secs\n\n total energy = -1318.69599234 Ry\n estimated scf accuracy < 0.72357448 Ry\n\n iteration # 78 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.125E-02 0.000E+00\n\n total cpu time spent up to now is 340.9 secs\n\n total energy = -1318.69599234 Ry\n estimated scf accuracy < 0.72368133 Ry\n\n iteration # 79 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.168E-02 0.000E+00\n\n total cpu time spent up to now is 345.1 secs\n\n total energy = -1318.69595247 Ry\n estimated scf accuracy < 0.72393805 Ry\n\n iteration # 80 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.951E-02 0.000E+00\n\n total cpu time spent up to now is 349.4 secs\n\n total energy = -1318.69595717 Ry\n estimated scf accuracy < 0.04251432 Ry\n\n iteration # 81 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.928E-02 0.000E+00\n\n total cpu time spent up to now is 353.6 secs\n\n total energy = -1318.69596129 Ry\n estimated scf accuracy < 0.26677332 Ry\n\n iteration # 82 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.017E-02 0.000E+00\n\n total cpu time spent up to now is 357.8 secs\n\n total energy = -1318.69596267 Ry\n estimated scf accuracy < 0.72386225 Ry\n\n iteration # 83 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.087E-02 0.000E+00\n\n total cpu time spent up to now is 362.0 secs\n\n total energy = -1318.69595615 Ry\n estimated scf accuracy < 0.71661047 Ry\n\n iteration # 84 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.062E-02 0.000E+00\n\n total cpu time spent up to now is 366.2 secs\n\n total energy = -1318.69595942 Ry\n estimated scf accuracy < 0.40416037 Ry\n\n iteration # 85 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.108E-02 0.000E+00\n\n total cpu time spent up to now is 370.5 secs\n\n total energy = -1318.69595285 Ry\n estimated scf accuracy < 0.65922062 Ry\n\n iteration # 86 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.915E-02 0.000E+00\n\n total cpu time spent up to now is 374.7 secs\n\n total energy = -1318.69595753 Ry\n estimated scf accuracy < 0.03023216 Ry\n\n iteration # 87 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 378.9 secs\n\n total energy = -1318.69595812 Ry\n estimated scf accuracy < 0.01781254 Ry\n\n iteration # 88 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.900E-02 0.000E+00\n\n total cpu time spent up to now is 383.1 secs\n\n total energy = -1318.69595613 Ry\n estimated scf accuracy < 0.65615932 Ry\n\n iteration # 89 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 387.3 secs\n\n total energy = -1318.69595788 Ry\n estimated scf accuracy < 0.02856719 Ry\n\n iteration # 90 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.887E-02 0.000E+00\n\n total cpu time spent up to now is 391.6 secs\n\n total energy = -1318.69595883 Ry\n estimated scf accuracy < 0.56500240 Ry\n\n iteration # 91 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.956E-02 0.000E+00\n\n total cpu time spent up to now is 395.8 secs\n\n total energy = -1318.69595903 Ry\n estimated scf accuracy < 0.54981939 Ry\n\n iteration # 92 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.024E-02 0.000E+00\n\n total cpu time spent up to now is 399.9 secs\n\n total energy = -1318.69595733 Ry\n estimated scf accuracy < 0.63516217 Ry\n\n iteration # 93 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.004E-02 0.000E+00\n\n total cpu time spent up to now is 404.2 secs\n\n total energy = -1318.69595586 Ry\n estimated scf accuracy < 0.33791172 Ry\n\n iteration # 94 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.838E-02 0.000E+00\n\n total cpu time spent up to now is 408.3 secs\n\n total energy = -1318.69595768 Ry\n estimated scf accuracy < 0.00983348 Ry\n\n iteration # 95 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.744E-02 0.000E+00\n\n total cpu time spent up to now is 412.5 secs\n\n total energy = -1318.69595693 Ry\n estimated scf accuracy < 0.00572322 Ry\n\n iteration # 96 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.690E-02 0.000E+00\n\n total cpu time spent up to now is 416.7 secs\n\n total energy = -1318.69595648 Ry\n estimated scf accuracy < 0.00267385 Ry\n\n iteration # 97 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.769E-02 0.000E+00\n\n total cpu time spent up to now is 421.0 secs\n\n total energy = -1318.69595675 Ry\n estimated scf accuracy < 0.45475497 Ry\n\n iteration # 98 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.734E-02 0.000E+00\n\n total cpu time spent up to now is 425.2 secs\n\n total energy = -1318.69595678 Ry\n estimated scf accuracy < 0.04064797 Ry\n\n iteration # 99 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.691E-02 0.000E+00\n\n total cpu time spent up to now is 429.4 secs\n\n total energy = -1318.69595631 Ry\n estimated scf accuracy < 0.00704090 Ry\n\n iteration #100 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.664E-02 0.000E+00\n\n total cpu time spent up to now is 433.6 secs\n\n total energy = -1318.69595609 Ry\n estimated scf accuracy < 0.00314367 Ry\n\n iteration #101 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.647E-02 0.000E+00\n\n total cpu time spent up to now is 437.8 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00146896 Ry\n\n iteration #102 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.638E-02 0.000E+00\n\n total cpu time spent up to now is 442.0 secs\n\n total energy = -1318.69595596 Ry\n estimated scf accuracy < 0.00086858 Ry\n\n iteration #103 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.633E-02 0.000E+00\n\n total cpu time spent up to now is 446.1 secs\n\n total energy = -1318.69595596 Ry\n estimated scf accuracy < 0.00075606 Ry\n\n iteration #104 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.630E-02 0.000E+00\n\n total cpu time spent up to now is 450.3 secs\n\n total energy = -1318.69595596 Ry\n estimated scf accuracy < 0.00081361 Ry\n\n iteration #105 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 454.5 secs\n\n total energy = -1318.69595597 Ry\n estimated scf accuracy < 0.00029357 Ry\n\n iteration #106 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 458.8 secs\n\n total energy = -1318.69595598 Ry\n estimated scf accuracy < 0.00023871 Ry\n\n iteration #107 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 462.9 secs\n\n total energy = -1318.69595600 Ry\n estimated scf accuracy < 0.00015343 Ry\n\n iteration #108 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 467.1 secs\n\n total energy = -1318.69595600 Ry\n estimated scf accuracy < 0.00008112 Ry\n\n iteration #109 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 471.3 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00009298 Ry\n\n iteration #110 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 475.5 secs\n\n total energy = -1318.69595602 Ry\n estimated scf accuracy < 0.00010611 Ry\n\n iteration #111 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 479.7 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00016861 Ry\n\n iteration #112 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 483.9 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00012601 Ry\n\n iteration #113 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 488.1 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00011744 Ry\n\n iteration #114 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 492.2 secs\n\n total energy = -1318.69595602 Ry\n estimated scf accuracy < 0.00036442 Ry\n\n iteration #115 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 496.4 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00024814 Ry\n\n iteration #116 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 500.5 secs\n\n total energy = -1318.69595605 Ry\n estimated scf accuracy < 0.00011680 Ry\n\n iteration #117 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 504.7 secs\n\n total energy = -1318.69595599 Ry\n estimated scf accuracy < 0.00017554 Ry\n\n iteration #118 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 508.9 secs\n\n total energy = -1318.69595593 Ry\n estimated scf accuracy < 0.00002477 Ry\n\n iteration #119 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.686E-02 0.000E+00\n\n total cpu time spent up to now is 513.1 secs\n\n total energy = -1318.69595042 Ry\n estimated scf accuracy < 0.72358558 Ry\n\n iteration #120 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.654E-02 0.000E+00\n\n total cpu time spent up to now is 517.3 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00002606 Ry\n\n iteration #121 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.639E-02 0.000E+00\n\n total cpu time spent up to now is 521.5 secs\n\n total energy = -1318.69595596 Ry\n estimated scf accuracy < 0.00002492 Ry\n\n iteration #122 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.631E-02 0.000E+00\n\n total cpu time spent up to now is 525.7 secs\n\n total energy = -1318.69595597 Ry\n estimated scf accuracy < 0.00002333 Ry\n\n iteration #123 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 529.9 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00002318 Ry\n\n iteration #124 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 534.0 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00002650 Ry\n\n iteration #125 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 538.3 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00002313 Ry\n\n iteration #126 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 542.5 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00002419 Ry\n\n iteration #127 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 546.6 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00002372 Ry\n\n iteration #128 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 550.8 secs\n\n total energy = -1318.69595540 Ry\n estimated scf accuracy < 0.00002327 Ry\n\n iteration #129 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.690E-02 0.000E+00\n\n total cpu time spent up to now is 555.0 secs\n\n total energy = -1318.69594482 Ry\n estimated scf accuracy < 0.72526770 Ry\n\n iteration #130 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 559.1 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00002486 Ry\n\n iteration #131 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.640E-02 0.000E+00\n\n total cpu time spent up to now is 563.3 secs\n\n total energy = -1318.69595599 Ry\n estimated scf accuracy < 0.00002376 Ry\n\n iteration #132 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 567.5 secs\n\n total energy = -1318.69595598 Ry\n estimated scf accuracy < 0.00002328 Ry\n\n iteration #133 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 571.7 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00002290 Ry\n\n iteration #134 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 575.9 secs\n\n total energy = -1318.69595602 Ry\n estimated scf accuracy < 0.00002295 Ry\n\n iteration #135 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 580.1 secs\n\n total energy = -1318.69595604 Ry\n estimated scf accuracy < 0.00002296 Ry\n\n iteration #136 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 584.3 secs\n\n total energy = -1318.69595604 Ry\n estimated scf accuracy < 0.00002292 Ry\n\n iteration #137 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 588.4 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00002293 Ry\n\n iteration #138 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 592.6 secs\n\n total energy = -1318.69595376 Ry\n estimated scf accuracy < 0.00003130 Ry\n\n iteration #139 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.690E-02 0.000E+00\n\n total cpu time spent up to now is 596.8 secs\n\n total energy = -1318.69595036 Ry\n estimated scf accuracy < 0.73308632 Ry\n\n iteration #140 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 601.0 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00002252 Ry\n\n iteration #141 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.640E-02 0.000E+00\n\n total cpu time spent up to now is 605.2 secs\n\n total energy = -1318.69595590 Ry\n estimated scf accuracy < 0.00002251 Ry\n\n iteration #142 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 609.3 secs\n\n total energy = -1318.69595591 Ry\n estimated scf accuracy < 0.00002332 Ry\n\n iteration #143 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 613.5 secs\n\n total energy = -1318.69595592 Ry\n estimated scf accuracy < 0.00002679 Ry\n\n iteration #144 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 617.7 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00002438 Ry\n\n iteration #145 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 621.9 secs\n\n total energy = -1318.69595596 Ry\n estimated scf accuracy < 0.00002697 Ry\n\n iteration #146 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 626.1 secs\n\n total energy = -1318.69595597 Ry\n estimated scf accuracy < 0.00002909 Ry\n\n iteration #147 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 630.2 secs\n\n total energy = -1318.69595599 Ry\n estimated scf accuracy < 0.00002392 Ry\n\n iteration #148 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 634.5 secs\n\n total energy = -1318.69595555 Ry\n estimated scf accuracy < 0.00006721 Ry\n\n iteration #149 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.690E-02 0.000E+00\n\n total cpu time spent up to now is 638.6 secs\n\n total energy = -1318.69593780 Ry\n estimated scf accuracy < 0.72555813 Ry\n\n iteration #150 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 642.8 secs\n\n total energy = -1318.69595610 Ry\n estimated scf accuracy < 0.00002495 Ry\n\n iteration #151 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.640E-02 0.000E+00\n\n total cpu time spent up to now is 647.0 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00002461 Ry\n\n iteration #152 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 651.2 secs\n\n total energy = -1318.69595598 Ry\n estimated scf accuracy < 0.00002516 Ry\n\n iteration #153 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.629E-02 0.000E+00\n\n total cpu time spent up to now is 655.3 secs\n\n total energy = -1318.69595599 Ry\n estimated scf accuracy < 0.00006843 Ry\n\n iteration #154 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 659.5 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00004823 Ry\n\n iteration #155 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 663.6 secs\n\n total energy = -1318.69595613 Ry\n estimated scf accuracy < 0.00002349 Ry\n\n iteration #156 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 667.9 secs\n\n total energy = -1318.69595611 Ry\n estimated scf accuracy < 0.00003429 Ry\n\n iteration #157 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 672.0 secs\n\n total energy = -1318.69595607 Ry\n estimated scf accuracy < 0.00003187 Ry\n\n iteration #158 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.617E-02 0.000E+00\n\n total cpu time spent up to now is 676.2 secs\n\n total energy = -1318.69595485 Ry\n estimated scf accuracy < 0.00002322 Ry\n\n iteration #159 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.690E-02 0.000E+00\n\n total cpu time spent up to now is 680.3 secs\n\n total energy = -1318.69594938 Ry\n estimated scf accuracy < 0.72895641 Ry\n\n iteration #160 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 684.5 secs\n\n total energy = -1318.69595605 Ry\n estimated scf accuracy < 0.00009922 Ry\n\n iteration #161 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.640E-02 0.000E+00\n\n total cpu time spent up to now is 688.7 secs\n\n total energy = -1318.69595602 Ry\n estimated scf accuracy < 0.00015948 Ry\n\n iteration #162 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 692.8 secs\n\n total energy = -1318.69595599 Ry\n estimated scf accuracy < 0.00006165 Ry\n\n iteration #163 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 697.0 secs\n\n total energy = -1318.69595600 Ry\n estimated scf accuracy < 0.00040035 Ry\n\n iteration #164 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.630E-02 0.000E+00\n\n total cpu time spent up to now is 701.3 secs\n\n total energy = -1318.69595602 Ry\n estimated scf accuracy < 0.01181385 Ry\n\n iteration #165 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.630E-02 0.000E+00\n\n total cpu time spent up to now is 705.4 secs\n\n total energy = -1318.69595574 Ry\n estimated scf accuracy < 0.00390330 Ry\n\n iteration #166 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 709.6 secs\n\n total energy = -1318.69595610 Ry\n estimated scf accuracy < 0.00007106 Ry\n\n iteration #167 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 713.7 secs\n\n total energy = -1318.69595615 Ry\n estimated scf accuracy < 0.00003913 Ry\n\n iteration #168 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 717.8 secs\n\n total energy = -1318.69595620 Ry\n estimated scf accuracy < 0.00002366 Ry\n\n iteration #169 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 722.0 secs\n\n total energy = -1318.69595620 Ry\n estimated scf accuracy < 0.00004133 Ry\n\n iteration #170 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 726.2 secs\n\n total energy = -1318.69595617 Ry\n estimated scf accuracy < 0.00004851 Ry\n\n iteration #171 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 730.3 secs\n\n total energy = -1318.69595616 Ry\n estimated scf accuracy < 0.00005329 Ry\n\n iteration #172 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 734.5 secs\n\n total energy = -1318.69595616 Ry\n estimated scf accuracy < 0.00005701 Ry\n\n iteration #173 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 738.7 secs\n\n total energy = -1318.69595619 Ry\n estimated scf accuracy < 0.00005453 Ry\n\n iteration #174 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 742.9 secs\n\n total energy = -1318.69595651 Ry\n estimated scf accuracy < 0.00011674 Ry\n\n iteration #175 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 747.0 secs\n\n total energy = -1318.69595721 Ry\n estimated scf accuracy < 0.00013066 Ry\n\n iteration #176 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 751.2 secs\n\n total energy = -1318.69595687 Ry\n estimated scf accuracy < 0.00012511 Ry\n\n iteration #177 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.617E-02 0.000E+00\n\n total cpu time spent up to now is 755.3 secs\n\n total energy = -1318.69595230 Ry\n estimated scf accuracy < 0.00005765 Ry\n\n iteration #178 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.686E-02 0.000E+00\n\n total cpu time spent up to now is 759.6 secs\n\n total energy = -1318.69593181 Ry\n estimated scf accuracy < 0.73717713 Ry\n\n iteration #179 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.654E-02 0.000E+00\n\n total cpu time spent up to now is 763.8 secs\n\n total energy = -1318.69595600 Ry\n estimated scf accuracy < 0.00002476 Ry\n\n iteration #180 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.639E-02 0.000E+00\n\n total cpu time spent up to now is 767.9 secs\n\n total energy = -1318.69595601 Ry\n estimated scf accuracy < 0.00003122 Ry\n\n iteration #181 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.631E-02 0.000E+00\n\n total cpu time spent up to now is 772.1 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00003167 Ry\n\n iteration #182 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 776.3 secs\n\n total energy = -1318.69595613 Ry\n estimated scf accuracy < 0.00003344 Ry\n\n iteration #183 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 780.4 secs\n\n total energy = -1318.69595614 Ry\n estimated scf accuracy < 0.00004533 Ry\n\n iteration #184 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 784.6 secs\n\n total energy = -1318.69595617 Ry\n estimated scf accuracy < 0.00003070 Ry\n\n iteration #185 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 788.8 secs\n\n total energy = -1318.69595618 Ry\n estimated scf accuracy < 0.00002935 Ry\n\n iteration #186 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 792.9 secs\n\n total energy = -1318.69595619 Ry\n estimated scf accuracy < 0.00002727 Ry\n\n iteration #187 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.622E-02 0.000E+00\n\n total cpu time spent up to now is 797.1 secs\n\n total energy = -1318.69595442 Ry\n estimated scf accuracy < 0.00002636 Ry\n\n iteration #188 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.689E-02 0.000E+00\n\n total cpu time spent up to now is 801.3 secs\n\n total energy = -1318.69591595 Ry\n estimated scf accuracy < 0.72996248 Ry\n\n iteration #189 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.655E-02 0.000E+00\n\n total cpu time spent up to now is 805.5 secs\n\n total energy = -1318.69595616 Ry\n estimated scf accuracy < 0.00002793 Ry\n\n iteration #190 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.639E-02 0.000E+00\n\n total cpu time spent up to now is 809.7 secs\n\n total energy = -1318.69595613 Ry\n estimated scf accuracy < 0.00002646 Ry\n\n iteration #191 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.631E-02 0.000E+00\n\n total cpu time spent up to now is 813.8 secs\n\n total energy = -1318.69595613 Ry\n estimated scf accuracy < 0.00002632 Ry\n\n iteration #192 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 818.0 secs\n\n total energy = -1318.69595616 Ry\n estimated scf accuracy < 0.00002559 Ry\n\n iteration #193 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 822.2 secs\n\n total energy = -1318.69595615 Ry\n estimated scf accuracy < 0.00002563 Ry\n\n iteration #194 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 826.4 secs\n\n total energy = -1318.69595615 Ry\n estimated scf accuracy < 0.00002430 Ry\n\n iteration #195 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 830.6 secs\n\n total energy = -1318.69595613 Ry\n estimated scf accuracy < 0.00002475 Ry\n\n iteration #196 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 834.8 secs\n\n total energy = -1318.69595612 Ry\n estimated scf accuracy < 0.00002362 Ry\n\n iteration #197 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.650E-02 0.000E+00\n\n total cpu time spent up to now is 838.9 secs\n\n total energy = -1318.69595355 Ry\n estimated scf accuracy < 0.00002450 Ry\n\n iteration #198 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 3.0\n\n negative rho (up, down): 2.690E-02 0.000E+00\n\n total cpu time spent up to now is 843.2 secs\n\n total energy = -1318.69593017 Ry\n estimated scf accuracy < 0.74007766 Ry\n\n iteration #199 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.655E-02 0.000E+00\n\n total cpu time spent up to now is 847.5 secs\n\n total energy = -1318.69595552 Ry\n estimated scf accuracy < 0.00002594 Ry\n\n iteration #200 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.639E-02 0.000E+00\n\n total cpu time spent up to now is 851.6 secs\n\n total energy = -1318.69595557 Ry\n estimated scf accuracy < 0.00002479 Ry\n\n iteration #201 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 855.8 secs\n\n total energy = -1318.69595564 Ry\n estimated scf accuracy < 0.00002383 Ry\n\n iteration #202 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 860.0 secs\n\n total energy = -1318.69595571 Ry\n estimated scf accuracy < 0.00002313 Ry\n\n iteration #203 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 864.1 secs\n\n total energy = -1318.69595576 Ry\n estimated scf accuracy < 0.00002489 Ry\n\n iteration #204 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 868.3 secs\n\n total energy = -1318.69595583 Ry\n estimated scf accuracy < 0.00002666 Ry\n\n iteration #205 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 872.5 secs\n\n total energy = -1318.69595585 Ry\n estimated scf accuracy < 0.00002862 Ry\n\n iteration #206 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 876.7 secs\n\n total energy = -1318.69595586 Ry\n estimated scf accuracy < 0.00002654 Ry\n\n iteration #207 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 880.8 secs\n\n total energy = -1318.69595603 Ry\n estimated scf accuracy < 0.00004966 Ry\n\n iteration #208 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.689E-02 0.000E+00\n\n total cpu time spent up to now is 885.2 secs\n\n total energy = -1318.69592015 Ry\n estimated scf accuracy < 0.73237904 Ry\n\n iteration #209 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 889.5 secs\n\n total energy = -1318.69595575 Ry\n estimated scf accuracy < 0.00002394 Ry\n\n iteration #210 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.640E-02 0.000E+00\n\n total cpu time spent up to now is 893.6 secs\n\n total energy = -1318.69595578 Ry\n estimated scf accuracy < 0.00002326 Ry\n\n iteration #211 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.632E-02 0.000E+00\n\n total cpu time spent up to now is 897.8 secs\n\n total energy = -1318.69595583 Ry\n estimated scf accuracy < 0.00002288 Ry\n\n iteration #212 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.628E-02 0.000E+00\n\n total cpu time spent up to now is 901.9 secs\n\n total energy = -1318.69595595 Ry\n estimated scf accuracy < 0.00002965 Ry\n\n iteration #213 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 906.1 secs\n\n total energy = -1318.69595598 Ry\n estimated scf accuracy < 0.00003537 Ry\n\n iteration #214 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 910.2 secs\n\n total energy = -1318.69595606 Ry\n estimated scf accuracy < 0.00004239 Ry\n\n iteration #215 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 914.4 secs\n\n total energy = -1318.69595621 Ry\n estimated scf accuracy < 0.00005657 Ry\n\n iteration #216 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.623E-02 0.000E+00\n\n total cpu time spent up to now is 918.6 secs\n\n total energy = -1318.69595651 Ry\n estimated scf accuracy < 0.00004501 Ry\n\n iteration #217 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.645E-02 0.000E+00\n\n total cpu time spent up to now is 922.7 secs\n\n total energy = -1318.69595384 Ry\n estimated scf accuracy < 0.00003910 Ry\n\n iteration #218 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 3.0\n\n negative rho (up, down): 2.688E-02 0.000E+00\n\n total cpu time spent up to now is 927.0 secs\n\n total energy = -1318.69585668 Ry\n estimated scf accuracy < 0.73481650 Ry\n\n iteration #219 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.653E-02 0.000E+00\n\n total cpu time spent up to now is 931.3 secs\n\n total energy = -1318.69595605 Ry\n estimated scf accuracy < 0.00003422 Ry\n\n iteration #220 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.637E-02 0.000E+00\n\n total cpu time spent up to now is 935.5 secs\n\n total energy = -1318.69595618 Ry\n estimated scf accuracy < 0.00003366 Ry\n\n iteration #221 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.629E-02 0.000E+00\n\n total cpu time spent up to now is 939.6 secs\n\n total energy = -1318.69595629 Ry\n estimated scf accuracy < 0.00003235 Ry\n\n iteration #222 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.626E-02 0.000E+00\n\n total cpu time spent up to now is 943.8 secs\n\n total energy = -1318.69595638 Ry\n estimated scf accuracy < 0.00003117 Ry\n\n iteration #223 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.624E-02 0.000E+00\n\n total cpu time spent up to now is 948.0 secs\n\n total energy = -1318.69595653 Ry\n estimated scf accuracy < 0.00003095 Ry\n\n iteration #224 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.624E-02 0.000E+00\n\n total cpu time spent up to now is 952.1 secs\n\n total energy = -1318.69595661 Ry\n estimated scf accuracy < 0.00002913 Ry\n\n iteration #225 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.624E-02 0.000E+00\n\n total cpu time spent up to now is 956.3 secs\n\n total energy = -1318.69595667 Ry\n estimated scf accuracy < 0.00002935 Ry\n\n iteration #226 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.624E-02 0.000E+00\n\n total cpu time spent up to now is 960.5 secs\n\n total energy = -1318.69595666 Ry\n estimated scf accuracy < 0.00002965 Ry\n\n iteration #227 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.656E-02 0.000E+00\n\n total cpu time spent up to now is 964.7 secs\n\n total energy = -1318.69595440 Ry\n estimated scf accuracy < 0.00002906 Ry\n\n iteration #228 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.690E-02 0.000E+00\n\n total cpu time spent up to now is 969.2 secs\n\n total energy = -1318.69583295 Ry\n estimated scf accuracy < 0.74031601 Ry\n\n iteration #229 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.655E-02 0.000E+00\n\n total cpu time spent up to now is 973.7 secs\n\n total energy = -1318.69595641 Ry\n estimated scf accuracy < 0.00002749 Ry\n\n iteration #230 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.638E-02 0.000E+00\n\n total cpu time spent up to now is 977.9 secs\n\n total energy = -1318.69595642 Ry\n estimated scf accuracy < 0.00002843 Ry\n\n iteration #231 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.631E-02 0.000E+00\n\n total cpu time spent up to now is 982.1 secs\n\n total energy = -1318.69595633 Ry\n estimated scf accuracy < 0.00002800 Ry\n\n iteration #232 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 986.2 secs\n\n total energy = -1318.69595650 Ry\n estimated scf accuracy < 0.00002668 Ry\n\n iteration #233 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 990.4 secs\n\n total energy = -1318.69595652 Ry\n estimated scf accuracy < 0.00002823 Ry\n\n iteration #234 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.625E-02 0.000E+00\n\n total cpu time spent up to now is 994.6 secs\n\n total energy = -1318.69595650 Ry\n estimated scf accuracy < 0.00002814 Ry\n\n iteration #235 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.624E-02 0.000E+00\n\n total cpu time spent up to now is 998.8 secs\n\n total energy = -1318.69595680 Ry\n estimated scf accuracy < 0.00002774 Ry\n\n iteration #236 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.627E-02 0.000E+00\n\n total cpu time spent up to now is 1003.0 secs\n\n total energy = -1318.69595529 Ry\n estimated scf accuracy < 0.00002994 Ry\n\n iteration #237 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.693E-02 0.000E+00\n\n total cpu time spent up to now is 1007.1 secs\n\n total energy = -1318.69603704 Ry\n estimated scf accuracy < 0.72358853 Ry\n\n iteration #238 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 1011.3 secs\n\n total energy = -1318.69604142 Ry\n estimated scf accuracy < 0.72371478 Ry\n\n iteration #239 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.926E-02 0.000E+00\n\n total cpu time spent up to now is 1015.4 secs\n\n total energy = -1318.69599239 Ry\n estimated scf accuracy < 0.72375323 Ry\n\n iteration #240 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.019E-02 0.000E+00\n\n total cpu time spent up to now is 1019.6 secs\n\n total energy = -1318.69598363 Ry\n estimated scf accuracy < 0.72213348 Ry\n\n iteration #241 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.091E-02 0.000E+00\n\n total cpu time spent up to now is 1023.8 secs\n\n total energy = -1318.69594863 Ry\n estimated scf accuracy < 0.72169289 Ry\n\n iteration #242 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.861E-02 0.000E+00\n\n total cpu time spent up to now is 1028.0 secs\n\n total energy = -1318.69595717 Ry\n estimated scf accuracy < 0.00066012 Ry\n\n iteration #243 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.966E-02 0.000E+00\n\n total cpu time spent up to now is 1032.2 secs\n\n total energy = -1318.69596776 Ry\n estimated scf accuracy < 0.72382780 Ry\n\n iteration #244 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 3.049E-02 0.000E+00\n\n total cpu time spent up to now is 1036.3 secs\n\n total energy = -1318.69588132 Ry\n estimated scf accuracy < 0.72459266 Ry\n\n iteration #245 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.839E-02 0.000E+00\n\n total cpu time spent up to now is 1040.5 secs\n\n total energy = -1318.69595741 Ry\n estimated scf accuracy < 0.00002939 Ry\n\n iteration #246 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.731E-02 0.000E+00\n\n total cpu time spent up to now is 1044.6 secs\n\n total energy = -1318.69595677 Ry\n estimated scf accuracy < 0.00003500 Ry\n\n iteration #247 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.678E-02 0.000E+00\n\n total cpu time spent up to now is 1048.8 secs\n\n total energy = -1318.69595616 Ry\n estimated scf accuracy < 0.00008687 Ry\n\n iteration #248 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.675E-02 0.000E+00\n\n total cpu time spent up to now is 1052.9 secs\n\n total energy = -1318.69595651 Ry\n estimated scf accuracy < 0.05322525 Ry\n\n iteration #249 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.763E-02 0.000E+00\n\n total cpu time spent up to now is 1057.1 secs\n\n total energy = -1318.69595923 Ry\n estimated scf accuracy < 0.52140512 Ry\n\n iteration #250 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.877E-02 0.000E+00\n\n total cpu time spent up to now is 1061.3 secs\n\n total energy = -1318.69597031 Ry\n estimated scf accuracy < 0.71256689 Ry\n\n End of self-consistent calculation\n\n convergence NOT achieved after 250 iterations: stopping\n\n Writing config to output data dir ./tmp/calc.save/ :\n XML data file, charge density distributed wavefunctions\n \n init_run : 7.09s CPU 9.03s WALL ( 1 calls)\n electrons : 997.81s CPU 1052.02s WALL ( 1 calls)\n\n Called by init_run:\n wfcinit : 0.04s CPU 0.12s WALL ( 1 calls)\n potinit : 2.00s CPU 2.66s WALL ( 1 calls)\n hinit0 : 3.21s CPU 3.72s WALL ( 1 calls)\n\n Called by electrons:\n c_bands : 116.88s CPU 117.06s WALL ( 251 calls)\n sum_band : 96.05s CPU 96.26s WALL ( 251 calls)\n v_of_rho : 101.94s CPU 126.05s WALL ( 251 calls)\n newd : 122.05s CPU 122.14s WALL ( 251 calls)\n PAW_pot : 142.39s CPU 142.45s WALL ( 251 calls)\n mix_rho : 188.90s CPU 189.32s WALL ( 251 calls)\n energy_dftd3 : 0.00s CPU 0.00s WALL ( 1 calls)\n\n Called by c_bands:\n init_us_2 : 3.39s CPU 3.40s WALL ( 502 calls)\n regterg : 107.31s CPU 107.46s WALL ( 251 calls)\n\n Called by *egterg:\n rdiaghg : 1.74s CPU 1.81s WALL ( 538 calls)\n 1.81s GPU ( 538 calls)\n h_psi : 92.34s CPU 92.44s WALL ( 540 calls)\n s_psi : 0.63s CPU 0.63s WALL ( 540 calls)\n g_psi : 0.35s CPU 0.35s WALL ( 289 calls)\n\n Called by h_psi:\n h_psi:calbec : 0.05s CPU 0.05s WALL ( 540 calls)\n vloc_psi : 85.79s CPU 85.88s WALL ( 540 calls)\n 85.87s GPU ( 540 calls)\n add_vuspsi : 3.15s CPU 3.15s WALL ( 540 calls)\n\n General routines\n calbec : 0.06s CPU 0.06s WALL ( 791 calls)\n fft : 119.00s CPU 126.37s WALL ( 2763 calls)\n 7.43s GPU ( 2512 calls)\n ffts : 37.06s CPU 69.82s WALL ( 31252 calls)\n 33.14s GPU ( 31001 calls)\n fftw : 0.28s CPU 81.35s WALL ( 18150 calls)\n 81.21s GPU ( 18150 calls)\n interpolate : 185.54s CPU 214.80s WALL ( 251 calls)\n davcio : 0.00s CPU 0.26s WALL ( 20 calls)\n \n \n PWSCF : 16m45.59s CPU 17m42.14s WALL\n\n \n This run was terminated on: 9: 2:51 30Jul2026 \n\n=------------------------------------------------------------------------------=\n JOB DONE.\n=------------------------------------------------------------------------------=\n","output_type":"stream"}],"execution_count":15},{"cell_type":"markdown","source":"Runs phonon calculations once phonpy has made the supercells.","metadata":{}},{"cell_type":"code","source":"import glob\nimport os\nimport re\n\n# 1. Sort all supercell files numerically\nall_files = glob.glob('supercell-*.in')\nall_files.sort(key=lambda f: int(re.sub(r'\\D', '', f)))\n\n# 2. Filter list to stop at 90\ntarget_files = []\nfor f in all_files:\n match = re.search(r'-(\\d+)\\.', f)\n if match and int(match.group(1)) <= 90:\n target_files.append(f)\n\n# 3. Create the parallel worker script\n# Rank 0 processes indices 0, 2, 4... Rank 1 processes indices 1, 3, 5...\nwith open(\"run_parallel.sh\", \"w\") as f:\n f.write(\"#!/bin/bash\\n\")\n f.write(\"export CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\\n\")\n f.write(\"RANK=${OMPI_COMM_WORLD_LOCAL_RANK}\\n\")\n f.write(\"SIZE=${OMPI_COMM_WORLD_LOCAL_SIZE}\\n\")\n f.write(\"FILES=(\\\"$@\\\")\\n\\n\")\n \n f.write(\"for (( i=$RANK; i<${#FILES[@]}; i+=$SIZE )); do\\n\")\n f.write(\" IN_FILE=${FILES[$i]}\\n\")\n f.write(\" OUT_FILE=\\\"${IN_FILE%.in}.out\\\"\\n\")\n \n # Skip if output already exists and isn't empty\n f.write(\" if [ -s \\\"$OUT_FILE\\\" ]; then\\n\")\n f.write(\" echo \\\"Rank $RANK: Skipping $IN_FILE (already done)\\\"\\n\")\n f.write(\" continue\\n\")\n f.write(\" fi\\n\\n\")\n \n # Isolated work directory to prevent GPU scratch-file collisions\n f.write(\" WORKDIR=\\\"work_rank_${RANK}_idx_${i}\\\"\\n\")\n f.write(\" mkdir -p $WORKDIR && cp $IN_FILE $WORKDIR/in.in\\n\")\n \n f.write(\" echo \\\"Rank $RANK: Starting $IN_FILE on GPU $RANK\\\"\\n\")\n # Execute pw.x\n f.write(\" /kaggle/working/q-e-qe-7.5/bin/pw.x -in $WORKDIR/in.in > $OUT_FILE\\n\")\n \n f.write(\" rm -rf $WORKDIR\\n\")\n f.write(\"done\\n\")\n\n!chmod +x run_parallel.sh\n\n# 4. Launch the two workers\nfiles_str = \" \".join(target_files)\n!mpirun --allow-run-as-root -np 2 --bind-to none ./run_parallel.sh {files_str}","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T05:43:14.535405Z","iopub.execute_input":"2026-07-30T05:43:14.536231Z","iopub.status.idle":"2026-07-30T05:43:20.292619Z","shell.execute_reply.started":"2026-07-30T05:43:14.536201Z","shell.execute_reply":"2026-07-30T05:43:20.291612Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Rank 0: Starting supercell-001.in on GPU 0\nRank 1: Starting supercell-002.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-004.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-006.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-008.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-010.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-012.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-014.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-016.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-018.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-020.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-022.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-024.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-026.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-028.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-030.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-032.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-034.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-036.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-038.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-040.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-042.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-044.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-046.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-048.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-050.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-052.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-054.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-056.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-058.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-060.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-062.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-064.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-066.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-068.in on GPU 1\nFORTRAN STOP\nRank 1: Starting supercell-070.in on GPU 1\n^C\n","output_type":"stream"}],"execution_count":47},{"cell_type":"markdown","source":"## 6.(Optional) In case .in files not present and only .xyz file available ","metadata":{}},{"cell_type":"markdown","source":"Run this if you have .in files and need ld1.x to run to create a .upf file.","metadata":{}},{"cell_type":"code","source":"'''!cd /kaggle/working/q-e-qe-7.5/bin\n!make ld1 -j2'''\n!cd /kaggle/input/datasets/pcsciprav/actinide-basis-set-rel/fully-relativistic-basis\n!../q-e-qe-7.2/bin/ld1.x < /kaggle/input/datasets/pcsciprav/actinide-basis-set-rel/fully-relativistic-basis/pu.in > pu.out\n# Change the .in and .out file names to match the input .in file name. Use the same .out name.","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.157572Z","iopub.status.idle":"2026-07-30T04:56:14.157789Z","shell.execute_reply.started":"2026-07-30T04:56:14.157683Z","shell.execute_reply":"2026-07-30T04:56:14.157696Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Change the link to any pseudopotential file as an alternative to ld1.","metadata":{}},{"cell_type":"code","source":"!wget https://pseudopotentials.quantum-espresso.org/upf_files/V.pbe-spnl-kjpaw_psl.1.0.0.UPF\n#!wget https://pseudopotentials.quantum-espresso.org/upf_files/N.rel-pz-n-kjpaw_psl.1.0.0.UPF\n#!wget https://pseudopotentials.quantum-espresso.org/upf_files/F.rel-pbe-n-kjpaw_psl.0.1.UPF","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.158995Z","iopub.status.idle":"2026-07-30T04:56:14.159426Z","shell.execute_reply.started":"2026-07-30T04:56:14.159245Z","shell.execute_reply":"2026-07-30T04:56:14.159260Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Run this snippet first and ensure persistence is set to files or variables and files.","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > relaxed.xyz << EOF\n37\nempty space\nN 12.1526494309 9.1674866038 10.4272563978\nN 11.4556314360 8.3476721009 9.3724563712\nN 10.4085781859 8.9452001098 8.5765180226\nO 10.2718526399 8.5017884604 7.4532391213\nO 9.7165347183 9.7856141721 9.1645407217\nC 12.4249924461 7.5512921343 8.6491909387\nN 12.3702088750 6.0774299018 9.0416975744\nF 12.3651994415 6.0966380513 10.4762292065\nF 11.0347403005 5.7357188652 8.7231338902\nN 13.6803020212 8.1067563575 9.0597910569\nN 14.9143945600 7.5915401914 8.5478214130\nO 14.8418348346 7.0599920707 7.4641294751\nO 15.8908227803 7.8059543669 9.2625250951\nC 13.6191085175 8.7986737271 10.3319536904\nN 14.4123982432 9.9862081067 10.2751810138\nN 15.1820962259 10.3904754986 11.4987542363\nO 15.3867765738 9.4574763928 12.2835028369\nO 15.5198099804 11.5399805161 11.5490879344\nN 14.0393168409 11.0094227759 9.4536088887\nN 14.3915092640 10.8151655952 8.1150041787\nN 15.8238564951 11.7189776386 7.7206688030\nO 16.2039464129 11.5410874101 6.6569448982\nO 16.2484003472 12.3177377991 8.7208363225\nC 13.3094948299 11.3213443707 7.3148945555\nO 13.3548076343 11.5872872584 6.1319814536\nN 12.1875870461 11.4251007934 8.1905011705\nN 11.0403487451 12.3402843540 7.8805557499\nO 10.6992813133 12.2754963153 6.6336760936\nO 10.5998662926 12.9372978941 8.7366123765\nC 12.6053676196 11.4456388964 9.5951713605\nN 11.9308304378 10.4873601424 10.4297571300\nN 11.2185731431 10.9876765605 11.6973738104\nO 11.1975901142 12.2190320519 11.7972567452\nO 10.7721324670 10.1342543880 12.3984061151\nH 12.2632373397 7.5632546198 7.5732547189\nH 13.9283703285 8.1927228731 11.1913993381\nH 12.4939621172 12.4291206357 10.0484672950\nEOF","metadata":{"trusted":true,"jupyter":{"source_hidden":true,"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-07-30T04:56:14.160926Z","iopub.status.idle":"2026-07-30T04:56:14.161301Z","shell.execute_reply.started":"2026-07-30T04:56:14.161113Z","shell.execute_reply":"2026-07-30T04:56:14.161135Z"},"collapsed":true},"outputs":[],"execution_count":null},{"cell_type":"code","source":"import os\nimport shutil\nimport requests\n\nPSEUDO_DIR = \"pseudo\"\nos.makedirs(PSEUDO_DIR, exist_ok=True)\nBASE_URL = \"https://pseudopotentials.quantum-espresso.org/upf_files/\"\n\nmanual_pseudos = {\n #'V': '/kaggle/working/q-e-qe-7.5/V.pbe-spnl-kjpaw_psl.1.0.0.UPF'\n}\n\nmasses = {\n 'U': 238.03,\n 'Pu': 244.06,\n 'Au': 196.966570,\n 'Fr': 223,\n 'Cs': 132.91,\n 'N': 14.007,\n 'Nd': 144.242,\n 'Tc': 97.907,\n 'As': 74.9216,\n 'O': 16,\n 'C': 12,\n 'Os': 190.23,\n 'Pt': 198.9705762,\n 'Hg': 200.59,\n 'F': 18.998\n}\n\nhubbard_u = {\n #'U': 3.0\n}\n\ndef find_pseudo(element):\n return [\n f\"{element}.pbe-spn-kjpaw_psl.1.0.0.UPF\",\n f\"{element}.pbe-n-kjpaw_psl.1.0.0.UPF\",\n f\"{element}.pbe-kjpaw_psl.1.0.0.UPF\",\n ]\n\ndef try_download(element):\n for name in find_pseudo(element):\n path = os.path.join(PSEUDO_DIR, name)\n\n if os.path.exists(path):\n print(f\"Using existing pseudo: {path}\")\n return name\n\n url = BASE_URL + name\n try:\n r = requests.get(url, timeout=30)\n if r.status_code == 200 and len(r.content) > 0:\n with open(path, \"wb\") as f:\n f.write(r.content)\n print(f\"Downloaded {name}\")\n return name\n except Exception as e:\n print(f\"Could not download {name}: {e}\")\n\n return None\n\ndef install_manual_pseudo(element):\n src = manual_pseudos[element]\n if not os.path.exists(src):\n raise FileNotFoundError(f\"Manual pseudopotential for {element} not found: {src}\")\n\n filename = os.path.basename(src)\n dst = os.path.join(PSEUDO_DIR, filename)\n\n if not os.path.exists(dst):\n shutil.copyfile(src, dst)\n print(f\"Copied manual pseudo for {element} to {dst}\")\n else:\n print(f\"Using existing copied pseudo for {element}: {dst}\")\n\n return filename\n\ndef download_pseudo(element):\n if element in manual_pseudos:\n return install_manual_pseudo(element)\n\n result = try_download(element)\n if result:\n return result\n\n raise Exception(f\"No pseudopotential found for {element}\")\n\ndef xyz_to_qe(xyz_file, output=\"input.in\"):\n with open(xyz_file, \"r\", encoding=\"utf-8\") as f:\n lines = f.readlines()\n\n nat = int(lines[0].strip())\n coords = lines[2:2 + nat]\n\n atoms = []\n species_ordered = []\n\n for line in coords:\n parts = line.split()\n if len(parts) < 4:\n raise ValueError(f\"Invalid XYZ line: {line!r}\")\n el, x, y, z = parts[:4]\n x = float(x) + 10.0\n y = float(y) + 10.0\n z = float(z) + 10.0\n atoms.append((el, x, y, z))\n if el not in species_ordered:\n species_ordered.append(el)\n\n pseudo_map = {}\n for el in species_ordered:\n pseudo_map[el] = download_pseudo(el)\n\n with open(output, \"w\", encoding=\"ascii\", newline=\"\\n\") as f:\n # CONTROL\n f.write(\"&CONTROL\\n\")\n f.write(\" calculation = 'relax'\\n\") # Either keep it as relax or scf\n f.write(\" restart_mode='restart'\\n\")\n f.write(\" pseudo_dir = './pseudo/'\\n\")\n f.write(\" outdir = './tmp/'\\n\")\n f.write(\" prefix = 'calc'\\n\")\n f.write(\" tprnfor = .true.\\n\") # Remove this and the line below if forces for phonons not needed\n f.write(\" tstress = .true.\\n\")\n f.write(\"/\\n\\n\")\n\n # SYSTEM\n f.write(\"&SYSTEM\\n\")\n f.write(f\" nat = {nat}\\n\")\n f.write(f\" ntyp = {len(species_ordered)}\\n\")\n f.write(\" ecutwfc = 45\\n\")\n #f.write(\" tot_charge = 1\\n\") #Remove comment if using charged body\n f.write(\" ecutrho = 360\\n\")\n f.write(\" nbnd = 112\\n\")\n f.write(\" input_dft = 'PBE'\\n\")\n f.write(\" occupations = 'fixed'\\n\")\n #f.write(\" smearing = 'gaussian'\\n\")\n #f.write(\" degauss = 0.005\\n\")\n f.write(\" vdw_corr = 'grimme-d3'\\n\")\n f.write(\" dftd3_version = 4\\n\")\n f.write(\" dftd3_threebody = .false.\\n\")\n f.write(\" assume_isolated = 'mt'\\n\")\n f.write(\" ibrav = 0\\n\")\n f.write(\" nosym = .true.\\n\")\n f.write(\" noinv = .true.\\n\")\n f.write(\" noncolin = .false.\\n\")\n f.write(\" lspinorb = .false.\\n\")\n f.write(\"/\\n\\n\")\n\n # ELECTRONS\n f.write(\"&ELECTRONS\\n\")\n f.write(\" conv_thr = 1.0d-8\\n\")\n f.write(\" mixing_beta = 0.3\\n\")\n f.write(\" mixing_mode = 'local-TF'\\n\")\n f.write(\" electron_maxstep = 250\\n\")\n f.write(\"/\\n\\n\")\n \n # IONS\n # Use only when running calculation = relax, otherwise comment it out. Change damp to bfgs if the system is fairly stable.\n f.write(\"&IONS\\n\")\n f.write(\" ion_dynamics = 'bfgs'\\n\")\n f.write(\" trust_radius_ini = 0.10\\n\") # Lower for unstable systems\n f.write(\" trust_radius_max = 0.20\\n\") # Lower for unstable systems\n #f.write(\" upscale = 0.5\\n\")\n f.write(\"/\\n\\n\")\n\n # ATOMIC_SPECIES\n f.write(\"ATOMIC_SPECIES\\n\")\n for el in species_ordered:\n mass = masses.get(el, 1.0)\n pseudo_filename = pseudo_map[el]\n f.write(f\"{el:>3} {mass:10.5f} {pseudo_filename}\\n\")\n \n # ATOMIC_POSITIONS\n f.write(\"\\nATOMIC_POSITIONS angstrom\\n\")\n for el, x, y, z in atoms:\n f.write(f\"{el:>3} {x} {y} {z}\\n\")\n \n # CELL PARAMETERS ANGSTROMS\n f.write(\"\\nCELL_PARAMETERS angstrom\\n\")\n f.write(\"20.0 0.0 0.0\\n\")\n f.write(\"0.0 20.0 0.0\\n\")\n f.write(\"0.0 0.0 20.0\\n\")\n\n # K_POINTS\n f.write(\"\\nK_POINTS gamma\\n\")\n #f.write(\"1 1 1 0 0 0\\n\")\n\n # HUBBARD\n has_hubbard = any(el in hubbard_u for el in species_ordered)\n if has_hubbard:\n f.write(\"\\nHUBBARD ortho-atomic\\n\")\n for el in species_ordered:\n if el in hubbard_u:\n f.write(f\"U {el}-5f {hubbard_u[el]}\\n\")\n\n print(f\"QE input ready: {output}\")\n print(\"Pseudopotentials used:\")\n for el in species_ordered:\n print(f\" {el} -> {pseudo_map[el]}\")\n\nxyz_to_qe(\"/kaggle/input/datasets/pcsciprav/personal-project-molecules/Molecules_screening/C2N22O16.xyz\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T08:20:06.153280Z","iopub.execute_input":"2026-07-30T08:20:06.153675Z","iopub.status.idle":"2026-07-30T08:20:08.472082Z","shell.execute_reply.started":"2026-07-30T08:20:06.153644Z","shell.execute_reply":"2026-07-30T08:20:08.471488Z"}},"outputs":[{"name":"stdout","text":"Using existing pseudo: pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF\nUsing existing pseudo: pseudo/C.pbe-n-kjpaw_psl.1.0.0.UPF\nUsing existing pseudo: pseudo/O.pbe-n-kjpaw_psl.1.0.0.UPF\nQE input ready: input.in\nPseudopotentials used:\n N -> N.pbe-n-kjpaw_psl.1.0.0.UPF\n C -> C.pbe-n-kjpaw_psl.1.0.0.UPF\n O -> O.pbe-n-kjpaw_psl.1.0.0.UPF\n","output_type":"stream"}],"execution_count":11},{"cell_type":"markdown","source":"Clones input.in to the supercell.in for running parallel finite displacement phonons.","metadata":{}},{"cell_type":"code","source":"import glob\n\n# 1. Read your baseline file and split it in half around the coordinates\nwith open('input.in', 'r') as f:\n baseline_lines = f.readlines()\n\npre_positions = []\npost_positions = []\nis_positions_block = False\npassed_positions = False\n\n# These keywords tell the script when the position block ends\nqe_keywords = ['&CONTROL', '&SYSTEM', '&ELECTRONS', '&IONS', '&CELL', \n 'K_POINTS', 'CELL_PARAMETERS', 'ATOMIC_SPECIES']\n\nfor line in baseline_lines:\n line_upper = line.strip().upper()\n \n if line_upper.startswith('ATOMIC_POSITIONS'):\n is_positions_block = True\n continue\n \n if is_positions_block:\n if any(line_upper.startswith(kw) for kw in qe_keywords):\n is_positions_block = False\n passed_positions = True\n post_positions.append(line)\n continue\n \n if not is_positions_block:\n if not passed_positions:\n pre_positions.append(line)\n else:\n post_positions.append(line)\n\n# 2. Extract the nudged coordinates from Phonopy's files\nfor target_file in glob.glob('supercell-*.in'):\n with open(target_file, 'r') as f:\n target_lines = f.readlines()\n \n new_positions = []\n in_target_pos = False\n \n for line in target_lines:\n line_upper = line.strip().upper()\n \n if line_upper.startswith('ATOMIC_POSITIONS'):\n in_target_pos = True\n new_positions.append(line)\n continue\n \n if in_target_pos:\n if any(line_upper.startswith(kw) for kw in qe_keywords):\n break\n if line.strip(): # Keep the coordinate lines\n new_positions.append(line)\n\n # 3. Sandwich the new coordinates inside your original baseline settings\n if new_positions:\n with open(target_file, 'w') as f:\n f.writelines(pre_positions)\n f.write(\"\\n\")\n f.writelines(new_positions)\n f.write(\"\\n\")\n f.writelines(post_positions)\n print(f\"Successfully applied baseline settings to: {target_file}\")\n else:\n print(f\"Skipped: Could not find coordinates in {target_file}\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T05:43:03.941778Z","iopub.execute_input":"2026-07-30T05:43:03.942542Z","iopub.status.idle":"2026-07-30T05:43:04.004168Z","shell.execute_reply.started":"2026-07-30T05:43:03.942505Z","shell.execute_reply":"2026-07-30T05:43:04.003439Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Successfully applied baseline settings to: supercell-086.in\nSuccessfully applied baseline settings to: supercell-240.in\nSuccessfully applied baseline settings to: supercell-136.in\nSuccessfully applied baseline settings to: supercell-141.in\nSuccessfully applied baseline settings to: supercell-074.in\nSuccessfully applied baseline settings to: supercell-138.in\nSuccessfully applied baseline settings to: supercell-163.in\nSuccessfully applied baseline settings to: supercell-014.in\nSuccessfully applied baseline settings to: supercell-076.in\nSuccessfully applied baseline settings to: supercell-028.in\nSuccessfully applied baseline settings to: supercell-005.in\nSuccessfully applied baseline settings to: supercell-095.in\nSuccessfully applied baseline settings to: supercell-195.in\nSuccessfully applied baseline settings to: supercell-228.in\nSuccessfully applied baseline settings to: supercell-104.in\nSuccessfully applied baseline settings to: supercell-023.in\nSuccessfully applied baseline settings to: supercell-099.in\nSuccessfully applied baseline settings to: supercell-015.in\nSuccessfully applied baseline settings to: supercell-219.in\nSuccessfully applied baseline settings to: supercell-008.in\nSuccessfully applied baseline settings to: supercell-152.in\nSuccessfully applied baseline settings to: supercell-165.in\nSuccessfully applied baseline settings to: supercell-022.in\nSuccessfully applied baseline settings to: supercell-058.in\nSuccessfully applied baseline settings to: supercell-042.in\nSuccessfully applied baseline settings to: supercell-210.in\nSuccessfully applied baseline settings to: supercell-020.in\nSuccessfully applied baseline settings to: supercell-043.in\nSuccessfully applied baseline settings to: supercell-154.in\nSuccessfully applied baseline settings to: supercell-064.in\nSuccessfully applied baseline settings to: supercell-109.in\nSuccessfully applied baseline settings to: supercell-075.in\nSuccessfully applied baseline settings to: supercell-191.in\nSuccessfully applied baseline settings to: supercell-091.in\nSuccessfully applied baseline settings to: supercell-168.in\nSuccessfully applied baseline settings to: supercell-197.in\nSuccessfully applied baseline settings to: supercell-182.in\nSuccessfully applied baseline settings to: supercell-083.in\nSuccessfully applied baseline settings to: supercell-133.in\nSuccessfully applied baseline settings to: supercell-038.in\nSuccessfully applied baseline settings to: supercell-106.in\nSuccessfully applied baseline settings to: supercell-230.in\nSuccessfully applied baseline settings to: supercell-019.in\nSuccessfully applied baseline settings to: supercell-030.in\nSuccessfully applied baseline settings to: supercell-202.in\nSuccessfully applied baseline settings to: supercell-218.in\nSuccessfully applied baseline settings to: supercell-062.in\nSuccessfully applied baseline settings to: supercell-147.in\nSuccessfully applied baseline settings to: supercell-115.in\nSuccessfully applied baseline settings to: supercell-073.in\nSuccessfully applied baseline settings to: supercell-072.in\nSuccessfully applied baseline settings to: supercell-235.in\nSuccessfully applied baseline settings to: supercell-236.in\nSuccessfully applied baseline settings to: supercell-135.in\nSuccessfully applied baseline settings to: supercell-082.in\nSuccessfully applied baseline settings to: supercell-009.in\nSuccessfully applied baseline settings to: supercell-114.in\nSuccessfully applied baseline settings to: supercell-229.in\nSuccessfully applied baseline settings to: supercell-186.in\nSuccessfully applied baseline settings to: supercell-101.in\nSuccessfully applied baseline settings to: supercell-208.in\nSuccessfully applied baseline settings to: supercell-227.in\nSuccessfully applied baseline settings to: supercell-097.in\nSuccessfully applied baseline settings to: supercell-048.in\nSuccessfully applied baseline settings to: supercell-035.in\nSuccessfully applied baseline settings to: supercell-051.in\nSuccessfully applied baseline settings to: supercell-011.in\nSuccessfully applied baseline settings to: supercell-003.in\nSuccessfully applied baseline settings to: supercell-029.in\nSuccessfully applied baseline settings to: supercell-126.in\nSuccessfully applied baseline settings to: supercell-180.in\nSuccessfully applied baseline settings to: supercell-178.in\nSuccessfully applied baseline settings to: supercell-093.in\nSuccessfully applied baseline settings to: supercell-225.in\nSuccessfully applied baseline settings to: supercell-207.in\nSuccessfully applied baseline settings to: supercell-139.in\nSuccessfully applied baseline settings to: supercell-039.in\nSuccessfully applied baseline settings to: supercell-145.in\nSuccessfully applied baseline settings to: supercell-078.in\nSuccessfully applied baseline settings to: supercell-103.in\nSuccessfully applied baseline settings to: supercell-070.in\nSuccessfully applied baseline settings to: supercell-012.in\nSuccessfully applied baseline settings to: supercell-045.in\nSuccessfully applied baseline settings to: supercell-128.in\nSuccessfully applied baseline settings to: supercell-143.in\nSuccessfully applied baseline settings to: supercell-164.in\nSuccessfully applied baseline settings to: supercell-066.in\nSuccessfully applied baseline settings to: supercell-094.in\nSuccessfully applied baseline settings to: supercell-158.in\nSuccessfully applied baseline settings to: supercell-212.in\nSuccessfully applied baseline settings to: supercell-198.in\nSuccessfully applied baseline settings to: supercell-169.in\nSuccessfully applied baseline settings to: supercell-055.in\nSuccessfully applied baseline settings to: supercell-033.in\nSuccessfully applied baseline settings to: supercell-071.in\nSuccessfully applied baseline settings to: supercell-087.in\nSuccessfully applied baseline settings to: supercell-148.in\nSuccessfully applied baseline settings to: supercell-118.in\nSuccessfully applied baseline settings to: supercell-216.in\nSuccessfully applied baseline settings to: supercell-084.in\nSuccessfully applied baseline settings to: supercell-237.in\nSuccessfully applied baseline settings to: supercell-077.in\nSuccessfully applied baseline settings to: supercell-129.in\nSuccessfully applied baseline settings to: supercell-079.in\nSuccessfully applied baseline settings to: supercell-053.in\nSuccessfully applied baseline settings to: supercell-124.in\nSuccessfully applied baseline settings to: supercell-036.in\nSuccessfully applied baseline settings to: supercell-215.in\nSuccessfully applied baseline settings to: supercell-239.in\nSuccessfully applied baseline settings to: supercell-214.in\nSuccessfully applied baseline settings to: supercell-217.in\nSuccessfully applied baseline settings to: supercell-234.in\nSuccessfully applied baseline settings to: supercell-131.in\nSuccessfully applied baseline settings to: supercell-144.in\nSuccessfully applied baseline settings to: supercell-067.in\nSuccessfully applied baseline settings to: supercell-046.in\nSuccessfully applied baseline settings to: supercell-192.in\nSuccessfully applied baseline settings to: supercell-105.in\nSuccessfully applied baseline settings to: supercell-065.in\nSuccessfully applied baseline settings to: supercell-037.in\nSuccessfully applied baseline settings to: supercell-121.in\nSuccessfully applied baseline settings to: supercell-159.in\nSuccessfully applied baseline settings to: supercell-111.in\nSuccessfully applied baseline settings to: supercell-200.in\nSuccessfully applied baseline settings to: supercell-119.in\nSuccessfully applied baseline settings to: supercell-113.in\nSuccessfully applied baseline settings to: supercell-176.in\nSuccessfully applied baseline settings to: supercell-050.in\nSuccessfully applied baseline settings to: supercell-179.in\nSuccessfully applied baseline settings to: supercell-117.in\nSuccessfully applied baseline settings to: supercell-166.in\nSuccessfully applied baseline settings to: supercell-177.in\nSuccessfully applied baseline settings to: supercell-224.in\nSuccessfully applied baseline settings to: supercell-222.in\nSuccessfully applied baseline settings to: supercell-149.in\nSuccessfully applied baseline settings to: supercell-102.in\nSuccessfully applied baseline settings to: supercell-206.in\nSuccessfully applied baseline settings to: supercell-220.in\nSuccessfully applied baseline settings to: supercell-155.in\nSuccessfully applied baseline settings to: supercell-161.in\nSuccessfully applied baseline settings to: supercell-024.in\nSuccessfully applied baseline settings to: supercell-089.in\nSuccessfully applied baseline settings to: supercell-002.in\nSuccessfully applied baseline settings to: supercell-231.in\nSuccessfully applied baseline settings to: supercell-108.in\nSuccessfully applied baseline settings to: supercell-189.in\nSuccessfully applied baseline settings to: supercell-031.in\nSuccessfully applied baseline settings to: supercell-098.in\nSuccessfully applied baseline settings to: supercell-112.in\nSuccessfully applied baseline settings to: supercell-173.in\nSuccessfully applied baseline settings to: supercell-153.in\nSuccessfully applied baseline settings to: supercell-172.in\nSuccessfully applied baseline settings to: supercell-096.in\nSuccessfully applied baseline settings to: supercell-201.in\nSuccessfully applied baseline settings to: supercell-187.in\nSuccessfully applied baseline settings to: supercell-057.in\nSuccessfully applied baseline settings to: supercell-088.in\nSuccessfully applied baseline settings to: supercell-061.in\nSuccessfully applied baseline settings to: supercell-181.in\nSuccessfully applied baseline settings to: supercell-142.in\nSuccessfully applied baseline settings to: supercell-193.in\nSuccessfully applied baseline settings to: supercell-040.in\nSuccessfully applied baseline settings to: supercell-021.in\nSuccessfully applied baseline settings to: supercell-132.in\nSuccessfully applied baseline settings to: supercell-209.in\nSuccessfully applied baseline settings to: supercell-032.in\nSuccessfully applied baseline settings to: supercell-203.in\nSuccessfully applied baseline settings to: supercell-090.in\nSuccessfully applied baseline settings to: supercell-150.in\nSuccessfully applied baseline settings to: supercell-146.in\nSuccessfully applied baseline settings to: supercell-044.in\nSuccessfully applied baseline settings to: supercell-211.in\nSuccessfully applied baseline settings to: supercell-162.in\nSuccessfully applied baseline settings to: supercell-041.in\nSuccessfully applied baseline settings to: supercell-213.in\nSuccessfully applied baseline settings to: supercell-006.in\nSuccessfully applied baseline settings to: supercell-059.in\nSuccessfully applied baseline settings to: supercell-018.in\nSuccessfully applied baseline settings to: supercell-151.in\nSuccessfully applied baseline settings to: supercell-157.in\nSuccessfully applied baseline settings to: supercell-056.in\nSuccessfully applied baseline settings to: supercell-016.in\nSuccessfully applied baseline settings to: supercell-049.in\nSuccessfully applied baseline settings to: supercell-183.in\nSuccessfully applied baseline settings to: supercell-171.in\nSuccessfully applied baseline settings to: supercell-085.in\nSuccessfully applied baseline settings to: supercell-010.in\nSuccessfully applied baseline settings to: supercell-123.in\nSuccessfully applied baseline settings to: supercell-174.in\nSuccessfully applied baseline settings to: supercell-013.in\nSuccessfully applied baseline settings to: supercell-233.in\nSuccessfully applied baseline settings to: supercell-122.in\nSuccessfully applied baseline settings to: supercell-025.in\nSuccessfully applied baseline settings to: supercell-188.in\nSuccessfully applied baseline settings to: supercell-026.in\nSuccessfully applied baseline settings to: supercell-223.in\nSuccessfully applied baseline settings to: supercell-054.in\nSuccessfully applied baseline settings to: supercell-175.in\nSuccessfully applied baseline settings to: supercell-196.in\nSuccessfully applied baseline settings to: supercell-226.in\nSuccessfully applied baseline settings to: supercell-081.in\nSuccessfully applied baseline settings to: supercell-238.in\nSuccessfully applied baseline settings to: supercell-184.in\nSuccessfully applied baseline settings to: supercell-221.in\nSuccessfully applied baseline settings to: supercell-125.in\nSuccessfully applied baseline settings to: supercell-205.in\nSuccessfully applied baseline settings to: supercell-080.in\nSuccessfully applied baseline settings to: supercell-160.in\nSuccessfully applied baseline settings to: supercell-194.in\nSuccessfully applied baseline settings to: supercell-052.in\nSuccessfully applied baseline settings to: supercell-001.in\nSuccessfully applied baseline settings to: supercell-120.in\nSuccessfully applied baseline settings to: supercell-069.in\nSuccessfully applied baseline settings to: supercell-092.in\nSuccessfully applied baseline settings to: supercell-127.in\nSuccessfully applied baseline settings to: supercell-017.in\nSuccessfully applied baseline settings to: supercell-027.in\nSuccessfully applied baseline settings to: supercell-156.in\nSuccessfully applied baseline settings to: supercell-060.in\nSuccessfully applied baseline settings to: supercell-167.in\nSuccessfully applied baseline settings to: supercell-107.in\nSuccessfully applied baseline settings to: supercell-130.in\nSuccessfully applied baseline settings to: supercell-134.in\nSuccessfully applied baseline settings to: supercell-137.in\nSuccessfully applied baseline settings to: supercell-190.in\nSuccessfully applied baseline settings to: supercell-232.in\nSuccessfully applied baseline settings to: supercell-047.in\nSuccessfully applied baseline settings to: supercell-004.in\nSuccessfully applied baseline settings to: supercell-034.in\nSuccessfully applied baseline settings to: supercell-100.in\nSuccessfully applied baseline settings to: supercell-170.in\nSuccessfully applied baseline settings to: supercell-204.in\nSuccessfully applied baseline settings to: supercell-068.in\nSuccessfully applied baseline settings to: supercell-110.in\nSuccessfully applied baseline settings to: supercell-140.in\nSuccessfully applied baseline settings to: supercell-199.in\nSuccessfully applied baseline settings to: supercell-116.in\nSuccessfully applied baseline settings to: supercell-007.in\nSuccessfully applied baseline settings to: supercell-185.in\nSuccessfully applied baseline settings to: supercell-063.in\n","output_type":"stream"}],"execution_count":46},{"cell_type":"code","source":"","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy-init -d --qe --dim=\"1 1 1\" -c input.in","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T05:42:55.027776Z","iopub.execute_input":"2026-07-30T05:42:55.028627Z","iopub.status.idle":"2026-07-30T05:42:56.056644Z","shell.execute_reply.started":"2026-07-30T05:42:55.028585Z","shell.execute_reply":"2026-07-30T05:42:56.055663Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":" _\n _ __ | |__ ___ _ __ ___ _ __ _ _\n | '_ \\| '_ \\ / _ \\| '_ \\ / _ \\ | '_ \\| | | |\n | |_) | | | | (_) | | | | (_) || |_) | |_| |\n | .__/|_| |_|\\___/|_| |_|\\___(_) .__/ \\__, |\n |_| |_| |___/\n 4.4.0\n\n-------------------------[time 2026-07-30 05:42:55]-------------------------\nRust backend (phonors) using rayon (4 threads).\nPython version 3.12.12\nSpglib version 2.7.0\n\nCalculator interface: qe\nCrystal structure was read from \"input.in\".\nUnit of length: au\nDisplacements creation mode\n Systematic displacements\nSettings:\n Supercell: [1 1 1]\n Primitive matrix:\n [1. 0. 0.]\n [0. 1. 0.]\n [0. 0. 1.]\nSpacegroup: P1 (1)\nNumber of symmetry operations in supercell: 1\nUse -v option to watch primitive cell, unit cell, and supercell structures.\n\nGenerated number of supercells: 240\n\"phonopy_disp.yaml\" and supercells have been created.\n\nSummary of calculation was written in \"phonopy_disp.yaml\".\n-------------------------[time 2026-07-30 05:42:55]-------------------------\n _\n ___ _ __ __| |\n / _ \\ '_ \\ / _` |\n | __/ | | | (_| |\n \\___|_| |_|\\__,_|\n\n","output_type":"stream"}],"execution_count":45},{"cell_type":"code","source":"!rm -rf supercell-*.in\n!rm -rf supercell.in","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.167206Z","iopub.status.idle":"2026-07-30T04:56:14.167525Z","shell.execute_reply.started":"2026-07-30T04:56:14.167322Z","shell.execute_reply":"2026-07-30T04:56:14.167335Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy --qe -f supercell-[0-9][0-9][0-9].out","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.168724Z","iopub.status.idle":"2026-07-30T04:56:14.169057Z","shell.execute_reply.started":"2026-07-30T04:56:14.168878Z","shell.execute_reply":"2026-07-30T04:56:14.168893Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!touch mesh.conf\nwith open(\"mesh.conf\", \"w\") as f:\n f.write(\"ATOM_NAME = C N F O H\\n\")\n f.write(\"DIM = 1 1 1\\n\")\n f.write(\"MESH = 1 1 1\\n\")\n f.write(\"FORCE_SETS = READ\\n\")\n\nprint(\"mesh.conf has been created successfully.\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.170369Z","iopub.status.idle":"2026-07-30T04:56:14.170708Z","shell.execute_reply.started":"2026-07-30T04:56:14.170534Z","shell.execute_reply":"2026-07-30T04:56:14.170556Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy --qe -c input.in -p mesh.conf","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.171828Z","iopub.status.idle":"2026-07-30T04:56:14.172188Z","shell.execute_reply.started":"2026-07-30T04:56:14.171999Z","shell.execute_reply":"2026-07-30T04:56:14.172020Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!cat mesh.yaml","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.173227Z","iopub.status.idle":"2026-07-30T04:56:14.173531Z","shell.execute_reply.started":"2026-07-30T04:56:14.173395Z","shell.execute_reply":"2026-07-30T04:56:14.173417Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Used to create molecular dynamics setup. Can be extremely sensitive.","metadata":{}},{"cell_type":"code","source":"def xyz_to_qe(xyz_file, output=\"input.in\", mode='cp'):\n with open(xyz_file, \"r\", encoding=\"utf-8\") as f:\n lines = f.readlines()\n\n nat = int(lines[0].strip())\n coords = lines[2:2 + nat]\n atoms = []\n species_ordered = []\n\n for line in coords:\n parts = line.split()\n el, x, y, z = parts[:4]\n atoms.append((el, float(x)+10.0, float(y)+10.0, float(z)+10.0))\n if el not in species_ordered: species_ordered.append(el)\n\n pseudo_map = {el: download_pseudo(el) for el in species_ordered}\n\n with open(output, \"w\", encoding=\"ascii\", newline=\"\\n\") as f:\n # --- 1. CONTROL ---\n # Stripped to the absolute bare minimums\n f.write(\"&CONTROL\\n\")\n f.write(\" calculation = 'cp',\\n\")\n f.write(\" restart_mode = 'from_scratch',\\n\")\n f.write(\" prefix = 'tesseract',\\n\")\n f.write(\" pseudo_dir = './pseudo/',\\n\")\n f.write(\" outdir = './tmp/',\\n\")\n f.write(\" dt = 5.0,\\n\")\n f.write(\" nstep = 500,\\n\")\n f.write(\" ndr = 51,\\n\")\n f.write(\" ndw = 51\\n\") # Removed TQR\n f.write(\"/\\n\\n\")\n\n # --- 2. SYSTEM ---\n f.write(\"&SYSTEM\\n\")\n f.write(f\" ibrav = 0, nat = {nat}, ntyp = {len(species_ordered)},\\n\")\n f.write(\" ecutwfc = 65.0,\\n\")\n f.write(\" ecutrho = 260.0,\\n\")\n f.write(\" input_dft = 'PBE',\\n\")\n f.write(\" nosym = .true.\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 3. ELECTRONS ---\n f.write(\"&ELECTRONS\\n\")\n f.write(\" electron_dynamics = 'damp',\\n\")\n f.write(\" electron_damping = 0.1,\\n\")\n f.write(\" emass = 400.0,\\n\")\n f.write(\" emass_cutoff = 2.5\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 4. IONS ---\n f.write(\"&IONS\\n\")\n f.write(\" ion_dynamics = 'none'\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 5. ATOMIC DATA ---\n f.write(\"ATOMIC_SPECIES\\n\")\n for el in species_ordered:\n f.write(f\"{el:>3} {masses.get(el, 1.0):10.5f} {pseudo_map[el]}\\n\")\n\n f.write(\"\\nATOMIC_POSITIONS angstrom\\n\")\n for el, x, y, z in atoms:\n f.write(f\"{el:>3} {x:12.8f} {y:12.8f} {z:12.8f}\\n\")\n \n f.write(\"\\nCELL_PARAMETERS angstrom\\n\")\n f.write(\"20.0 0.0 0.0\\n0.0 20.0 0.0\\n0.0 0.0 20.0\\n\")\n\n print(f\"✅ Clean CP Input ready: {output}\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.174707Z","iopub.status.idle":"2026-07-30T04:56:14.175055Z","shell.execute_reply.started":"2026-07-30T04:56:14.174890Z","shell.execute_reply":"2026-07-30T04:56:14.174906Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"NASA CEA Propellant checker","metadata":{}},{"cell_type":"code","source":"from rocketcea.cea_obj import CEA_Obj\nfrom rocketcea import cea_obj\n\n# 1. Define your custom monopropellant card\n# Format: 'ChemicalFormula', Enthalpy(kJ/mol), Density(g/cc, optional)\n# Swap C12H12N12O12F2 with your EXACT atom counts from your QE file.\n# Swap -500.0 with your calculated Heat of Formation in kJ/mol.\n\ncard_str = \"\"\"\nfuel MyCustomPropellant C 12 H 6 N 14 O 10 F 2 wt=100.0\nh,kj/mol=-500.0 t(k)=298.15\n\"\"\"\n\n# 2. Inject it into RocketCEA's internal dictionary\ncea_obj.add_new_fuel('MyCustomPropellant', card_str)\n\n# 3. Create the CEA Object\n# For a monopropellant, we name it as the fuel, and just pick a dummy oxidizer (like LOX)\n# because we will set the Mixture Ratio to 0.0 anyway.\nispObj = CEA_Obj(oxName=\"LOX\", fuelName=\"MyCustomPropellant\")\n\n# 4. Pull the juicy metrics\n# Pc = Chamber Pressure (psia) -> 1000.0 is industry standard for screening\n# eps = Nozzle Expansion Area Ratio -> 40.0 is standard for vacuum screening\n# MR = Mixture Ratio -> MUST BE 0.0 for a monopropellant (it burns itself)\nPc = 1000.0\neps = 40.0\nMR = 0.0\n\n# This single function pulls Vacuum Isp, C-Star (characteristic velocity), and Combustion Temp\nIspVac, Cstar, Tcomb = ispObj.get_IvacCstrTc(Pc=Pc, MR=MR, eps=eps)\n\n# Grab the average Molecular Weight and Gamma (ratio of specific heats) of the chamber exhaust gases\n_, _, _, mw_exhaust, gamma = ispObj.get_IvacCstrTc_ChmMwGam(Pc=Pc, MR=MR, eps=eps)\n\n# 5. Print the payload\nprint(\"=================== PROPELLANT PERFORMANCE ===================\")\nprint(f\"Vacuum Isp : {IspVac:.2f} seconds\")\nprint(f\"Combustion Temp (Tc) : {Tcomb:.2f} Rankine ({(Tcomb - 459.67) * 5/9 + 273.15:.2f} K)\")\nprint(f\"C-Star (Velocity) : {Cstar:.2f} ft/s\")\nprint(f\"Exhaust Mol Weight : {mw_exhaust:.2f} g/mol\")\nprint(f\"Chamber Gamma : {gamma:.4f}\")\nprint(\"==============================================================\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-07-30T04:56:14.176771Z","iopub.status.idle":"2026-07-30T04:56:14.177264Z","shell.execute_reply.started":"2026-07-30T04:56:14.177019Z","shell.execute_reply":"2026-07-30T04:56:14.177042Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null}]} \ No newline at end of file +{"metadata":{"kernelspec":{"language":"python","display_name":"Python 3","name":"python3"},"language_info":{"name":"python","version":"3.12.12","mimetype":"text/x-python","codemirror_mode":{"name":"ipython","version":3},"pygments_lexer":"ipython3","nbconvert_exporter":"python","file_extension":".py"},"kaggle":{"accelerator":"nvidiaTeslaT4","dataSources":[{"sourceType":"datasetVersion","sourceId":15490887,"datasetId":9910679,"databundleVersionId":16415605},{"sourceType":"datasetVersion","sourceId":15809101,"datasetId":10133874,"databundleVersionId":16756907},{"sourceType":"datasetVersion","sourceId":15664603,"datasetId":10029968,"databundleVersionId":16601428},{"sourceType":"datasetVersion","sourceId":15664593,"datasetId":10029958,"databundleVersionId":16601418},{"sourceType":"datasetVersion","sourceId":15660946,"datasetId":10027068,"databundleVersionId":16597549},{"sourceType":"datasetVersion","sourceId":15564737,"datasetId":9957915,"databundleVersionId":16495191},{"sourceType":"datasetVersion","sourceId":15654163,"datasetId":10022101,"databundleVersionId":16590329},{"sourceType":"datasetVersion","sourceId":16493551,"datasetId":10129077,"databundleVersionId":17495327}],"dockerImageVersionId":31329,"isInternetEnabled":true,"language":"python","sourceType":"notebook","isGpuEnabled":true}},"nbformat_minor":4,"nbformat":4,"cells":[{"cell_type":"markdown","source":"# Quantum ESPRESSO installation guide on Python for P100 GPU","metadata":{}},{"cell_type":"markdown","source":"## 1. Install Dependencies","metadata":{}},{"cell_type":"code","source":"%%bash\napt-get update\napt-get install -y build-essential wget \\\n libfftw3-dev libblas-dev liblapack-dev \\\n libscalapack-mpi-dev libopenmpi-dev openmpi-bin\napt-get install -y libxc-dev libxc9\npip install phonopy\npip install numpy scipy pyyaml matplotlib\npip install ase cclib","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-10T07:05:36.269616Z","iopub.execute_input":"2026-08-10T07:05:36.270330Z","iopub.status.idle":"2026-08-10T07:06:15.808874Z","shell.execute_reply.started":"2026-08-10T07:05:36.270302Z","shell.execute_reply":"2026-08-10T07:06:15.807938Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Get:1 https://cloud.r-project.org/bin/linux/ubuntu jammy-cran40/ InRelease [3,632 B]\nGet:2 https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64 InRelease [1,581 B]\nGet:3 https://cli.github.com/packages stable InRelease [3,917 B]\nGet:4 https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64 Packages [2,899 kB]\nGet:5 https://r2u.stat.illinois.edu/ubuntu jammy InRelease [6,555 B]\nGet:6 https://cloud.r-project.org/bin/linux/ubuntu jammy-cran40/ Packages [107 kB]\nGet:7 http://security.ubuntu.com/ubuntu jammy-security InRelease [129 kB]\nHit:8 http://archive.ubuntu.com/ubuntu jammy InRelease\nGet:9 https://cli.github.com/packages stable/main amd64 Packages [356 B]\nGet:10 http://archive.ubuntu.com/ubuntu jammy-updates InRelease [128 kB]\nGet:11 https://r2u.stat.illinois.edu/ubuntu jammy/main amd64 Packages [3,164 kB]\nGet:12 https://ppa.launchpadcontent.net/deadsnakes/ppa/ubuntu jammy InRelease [18.1 kB]\nHit:13 https://ppa.launchpadcontent.net/graphics-drivers/ppa/ubuntu jammy InRelease\nGet:14 https://r2u.stat.illinois.edu/ubuntu jammy/main all Packages [10.7 MB]\nHit:15 https://ppa.launchpadcontent.net/ubuntugis/ppa/ubuntu jammy InRelease\nGet:16 http://security.ubuntu.com/ubuntu jammy-security/multiverse amd64 Packages [84.1 kB]\nGet:17 https://ppa.launchpadcontent.net/deadsnakes/ppa/ubuntu jammy/main amd64 Packages [44.3 kB]\nGet:18 http://archive.ubuntu.com/ubuntu jammy-backports InRelease [127 kB]\nGet:19 http://security.ubuntu.com/ubuntu jammy-security/main amd64 Packages [4,190 kB]\nGet:20 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 Packages [1,616 kB]\nGet:21 http://security.ubuntu.com/ubuntu jammy-security/universe amd64 Packages [1,314 kB]\nGet:22 http://security.ubuntu.com/ubuntu jammy-security/restricted amd64 Packages [7,545 kB]\nGet:23 http://archive.ubuntu.com/ubuntu jammy-updates/main amd64 Packages [4,524 kB]\nGet:24 http://archive.ubuntu.com/ubuntu jammy-updates/restricted amd64 Packages [7,836 kB]\nGet:25 http://archive.ubuntu.com/ubuntu jammy-updates/multiverse amd64 Packages [92.7 kB]\nGet:26 http://archive.ubuntu.com/ubuntu jammy-backports/universe amd64 Packages [35.6 kB]\nGet:27 http://archive.ubuntu.com/ubuntu jammy-backports/main amd64 Packages [82.8 kB]\nFetched 44.7 MB in 4s (12.3 MB/s)\nReading package lists...\nReading package lists...\nBuilding dependency tree...\nReading state information...\nbuild-essential is already the newest version (12.9ubuntu3).\nliblapack-dev is already the newest version (3.10.0-2ubuntu1).\nlibopenmpi-dev is already the newest version (4.1.2-2ubuntu1).\nlibopenmpi-dev set to manually installed.\nlibscalapack-mpi-dev is already the newest version (2.1.0-4).\nlibscalapack-mpi-dev set to manually installed.\nopenmpi-bin is already the newest version (4.1.2-2ubuntu1).\nopenmpi-bin set to manually installed.\nThe following additional packages will be installed:\n libfftw3-bin libfftw3-long3 libfftw3-quad3 libfftw3-single3\nSuggested packages:\n liblapack-doc libfftw3-doc\nThe following NEW packages will be installed:\n libblas-dev libfftw3-bin libfftw3-dev libfftw3-long3 libfftw3-quad3\n libfftw3-single3\nThe following packages will be upgraded:\n wget\n1 upgraded, 6 newly installed, 0 to remove and 304 not upgraded.\nNeed to get 4,387 kB of archives.\nAfter this operation, 23.5 MB of additional disk space will be used.\nGet:1 http://archive.ubuntu.com/ubuntu jammy-updates/main amd64 wget amd64 1.21.2-2ubuntu1.4 [339 kB]\nGet:2 http://archive.ubuntu.com/ubuntu jammy/main amd64 libblas-dev amd64 3.10.0-2ubuntu1 [164 kB]\nGet:3 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-long3 amd64 3.3.8-2ubuntu8 [335 kB]\nGet:4 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-quad3 amd64 3.3.8-2ubuntu8 [614 kB]\nGet:5 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-single3 amd64 3.3.8-2ubuntu8 [800 kB]\nGet:6 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-bin amd64 3.3.8-2ubuntu8 [35.5 kB]\nGet:7 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-dev amd64 3.3.8-2ubuntu8 [2,101 kB]\nFetched 4,387 kB in 2s (2,417 kB/s)\n(Reading database ... 124626 files and directories currently installed.)\nPreparing to unpack .../0-wget_1.21.2-2ubuntu1.4_amd64.deb ...\nUnpacking wget (1.21.2-2ubuntu1.4) over (1.21.2-2ubuntu1.1) ...\nSelecting previously unselected package libblas-dev:amd64.\nPreparing to unpack .../1-libblas-dev_3.10.0-2ubuntu1_amd64.deb ...\nUnpacking libblas-dev:amd64 (3.10.0-2ubuntu1) ...\nSelecting previously unselected package libfftw3-long3:amd64.\nPreparing to unpack .../2-libfftw3-long3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-long3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-quad3:amd64.\nPreparing to unpack .../3-libfftw3-quad3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-quad3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-single3:amd64.\nPreparing to unpack .../4-libfftw3-single3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-single3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-bin.\nPreparing to unpack .../5-libfftw3-bin_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-bin (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-dev:amd64.\nPreparing to unpack .../6-libfftw3-dev_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-dev:amd64 (3.3.8-2ubuntu8) ...\nSetting up libfftw3-single3:amd64 (3.3.8-2ubuntu8) ...\nSetting up wget (1.21.2-2ubuntu1.4) ...\nSetting up libfftw3-long3:amd64 (3.3.8-2ubuntu8) ...\nSetting up libfftw3-quad3:amd64 (3.3.8-2ubuntu8) ...\nSetting up libblas-dev:amd64 (3.10.0-2ubuntu1) ...\nSetting up libfftw3-bin (3.3.8-2ubuntu8) ...\nSetting up libfftw3-dev:amd64 (3.3.8-2ubuntu8) ...\nProcessing triggers for man-db (2.10.2-1) ...\nProcessing triggers for libc-bin (2.35-0ubuntu3.8) ...\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_5.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero_v2.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_0.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_loader.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbb.so.12 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libumf.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm_debug.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_opencl.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc_proxy.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libhwloc.so.15 is not a symbolic link\n\nReading package lists...\nBuilding dependency tree...\nReading state information...\nThe following NEW packages will be installed:\n libxc-dev libxc9\n0 upgraded, 2 newly installed, 0 to remove and 304 not upgraded.\nNeed to get 11.9 MB of archives.\nAfter this operation, 41.2 MB of additional disk space will be used.\nGet:1 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libxc9 amd64 5.1.7-1ubuntu1 [3,900 kB]\nGet:2 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libxc-dev amd64 5.1.7-1ubuntu1 [8,038 kB]\nFetched 11.9 MB in 2s (5,863 kB/s)\nSelecting previously unselected package libxc9:amd64.\n(Reading database ... 124727 files and directories currently installed.)\nPreparing to unpack .../libxc9_5.1.7-1ubuntu1_amd64.deb ...\nUnpacking libxc9:amd64 (5.1.7-1ubuntu1) ...\nSelecting previously unselected package libxc-dev.\nPreparing to unpack .../libxc-dev_5.1.7-1ubuntu1_amd64.deb ...\nUnpacking libxc-dev (5.1.7-1ubuntu1) ...\nSetting up libxc9:amd64 (5.1.7-1ubuntu1) ...\nSetting up libxc-dev (5.1.7-1ubuntu1) ...\nProcessing triggers for libc-bin (2.35-0ubuntu3.8) ...\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_5.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero_v2.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_0.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_loader.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbb.so.12 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libumf.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm_debug.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_opencl.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc_proxy.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libhwloc.so.15 is not a symbolic link\n\nCollecting phonopy\n Downloading phonopy-4.4.0-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl.metadata (3.7 kB)\nRequirement already satisfied: numpy>=1.17.0 in /usr/local/lib/python3.12/dist-packages (from phonopy) (2.0.2)\nRequirement already satisfied: PyYAML>=5.3 in /usr/local/lib/python3.12/dist-packages (from phonopy) (6.0.3)\nRequirement already satisfied: matplotlib>=2.2.2 in /usr/local/lib/python3.12/dist-packages (from phonopy) (3.10.0)\nRequirement already satisfied: h5py>=3.0 in /usr/local/lib/python3.12/dist-packages (from phonopy) (3.15.1)\nCollecting spglib>=2.5 (from phonopy)\n Downloading spglib-2.7.0-cp312-cp312-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl.metadata (4.2 kB)\nCollecting symfc>=1.7 (from phonopy)\n Downloading symfc-1.7.3-py3-none-any.whl.metadata (2.1 kB)\nCollecting phonors>=0.3.0 (from phonopy)\n Downloading phonors-0.3.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (2.6 kB)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (1.4.9)\nRequirement already satisfied: packaging>=20.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (26.0)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (2.9.0.post0)\nRequirement already satisfied: typing-extensions>=4.9.0 in /usr/local/lib/python3.12/dist-packages (from spglib>=2.5->phonopy) (4.15.0)\nRequirement already satisfied: scipy!=1.11.0,!=1.11.1,!=1.11.2,!=1.17.0 in /usr/local/lib/python3.12/dist-packages (from symfc>=1.7->phonopy) (1.16.3)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib>=2.2.2->phonopy) (1.17.0)\nDownloading phonopy-4.4.0-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl (851 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 851.0/851.0 kB 19.7 MB/s eta 0:00:00\nDownloading phonors-0.3.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.5 MB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.5/1.5 MB 67.3 MB/s eta 0:00:00\nDownloading spglib-2.7.0-cp312-cp312-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl (962 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 962.5/962.5 kB 50.4 MB/s eta 0:00:00\nDownloading symfc-1.7.3-py3-none-any.whl (114 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 114.9/114.9 kB 9.8 MB/s eta 0:00:00\nInstalling collected packages: spglib, phonors, symfc, phonopy\nSuccessfully installed phonopy-4.4.0 phonors-0.3.0 spglib-2.7.0 symfc-1.7.3\nRequirement already satisfied: numpy in /usr/local/lib/python3.12/dist-packages (2.0.2)\nRequirement already satisfied: scipy in /usr/local/lib/python3.12/dist-packages (1.16.3)\nRequirement already satisfied: pyyaml in /usr/local/lib/python3.12/dist-packages (6.0.3)\nRequirement already satisfied: matplotlib in /usr/local/lib/python3.12/dist-packages (3.10.0)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (1.4.9)\nRequirement already satisfied: packaging>=20.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (26.0)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (2.9.0.post0)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib) (1.17.0)\nCollecting ase\n Downloading ase-3.29.0-py3-none-any.whl.metadata (4.4 kB)\nCollecting cclib\n Downloading cclib-1.8.1-py3-none-any.whl.metadata (4.7 kB)\nRequirement already satisfied: numpy>=1.21.6 in /usr/local/lib/python3.12/dist-packages (from ase) (2.0.2)\nRequirement already satisfied: scipy>=1.8.1 in /usr/local/lib/python3.12/dist-packages (from ase) (1.16.3)\nRequirement already satisfied: matplotlib>=3.5.2 in /usr/local/lib/python3.12/dist-packages (from ase) (3.10.0)\nRequirement already satisfied: typing_extensions>=4.13.1 in /usr/local/lib/python3.12/dist-packages (from ase) (4.15.0)\nRequirement already satisfied: packaging>=19.0 in /usr/local/lib/python3.12/dist-packages (from cclib) (26.0)\nCollecting periodictable (from cclib)\n Downloading periodictable-2.1.0-py3-none-any.whl.metadata (5.2 kB)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (1.4.9)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (2.9.0.post0)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib>=3.5.2->ase) (1.17.0)\nDownloading ase-3.29.0-py3-none-any.whl (3.0 MB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 3.0/3.0 MB 51.1 MB/s eta 0:00:00\nDownloading cclib-1.8.1-py3-none-any.whl (353 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 353.6/353.6 kB 27.9 MB/s eta 0:00:00\nDownloading periodictable-2.1.0-py3-none-any.whl (830 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 830.7/830.7 kB 48.9 MB/s eta 0:00:00\nInstalling collected packages: periodictable, cclib, ase\nSuccessfully installed ase-3.29.0 cclib-1.8.1 periodictable-2.1.0\n","output_type":"stream"},{"name":"stderr","text":"W: Skipping acquire of configured file 'main/source/Sources' as repository 'https://r2u.stat.illinois.edu/ubuntu jammy InRelease' does not seem to provide it (sources.list entry misspelt?)\n","output_type":"stream"}],"execution_count":1},{"cell_type":"markdown","source":"## 2. Download Quantum ESPRESSO and NVFORTRAN/NVHPC SDK","metadata":{}},{"cell_type":"markdown","source":"Will take ~15-17 GiB of output space, ensure there is enough storage","metadata":{}},{"cell_type":"code","source":"!cd \n!wget https://github.com/QEF/q-e/archive/refs/tags/qe-7.6.tar.gz\n!tar -xvf qe-7.6.tar.gz\n!rm -rf /kaggle/working/qe-7.6.tar.gz\n%cd q-e-qe-7.6","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-10T07:06:15.810385Z","iopub.execute_input":"2026-08-10T07:06:15.810632Z","iopub.status.idle":"2026-08-10T07:06:27.437376Z","shell.execute_reply.started":"2026-08-10T07:06:15.810607Z","shell.execute_reply":"2026-08-10T07:06:27.436581Z"}},"outputs":[{"name":"stdout","text":"--2026-08-10 07:06:15-- https://github.com/QEF/q-e/archive/refs/tags/qe-7.6.tar.gz\nResolving github.com (github.com)... 140.82.116.4\nConnecting to github.com (github.com)|140.82.116.4|:443... connected.\nHTTP request sent, awaiting response... 302 Found\nLocation: https://codeload.github.com/QEF/q-e/tar.gz/refs/tags/qe-7.6 [following]\n--2026-08-10 07:06:16-- https://codeload.github.com/QEF/q-e/tar.gz/refs/tags/qe-7.6\nResolving codeload.github.com (codeload.github.com)... 140.82.116.9\nConnecting to codeload.github.com (codeload.github.com)|140.82.116.9|:443... connected.\nHTTP request sent, awaiting response... 200 OK\nLength: unspecified [application/x-gzip]\nSaving to: ‘qe-7.6.tar.gz’\n\nqe-7.6.tar.gz [ <=> ] 83.63M 11.9MB/s in 8.4s \n\n2026-08-10 07:06:24 (10.0 MB/s) - ‘qe-7.6.tar.gz’ saved [87688909]\n\nq-e-qe-7.6/\nq-e-qe-7.6/.ci/\nq-e-qe-7.6/.ci/cineca.yml\nq-e-qe-7.6/.cmake-format\nq-e-qe-7.6/.editorconfig\nq-e-qe-7.6/.github/\nq-e-qe-7.6/.github/pull_request_template.md\nq-e-qe-7.6/.gitignore\nq-e-qe-7.6/.gitlab-ci-main.yml\nq-e-qe-7.6/.gitlab-ci-version-consistency.yml\nq-e-qe-7.6/.gitlab-ci.yml\nq-e-qe-7.6/.gitmodules\nq-e-qe-7.6/.travis.yml\nq-e-qe-7.6/CMakeLists.txt\nq-e-qe-7.6/CONTRIBUTING.md\nq-e-qe-7.6/COUPLE/\nq-e-qe-7.6/COUPLE/CMakeLists.txt\nq-e-qe-7.6/COUPLE/Makefile\nq-e-qe-7.6/COUPLE/README\nq-e-qe-7.6/COUPLE/examples/\nq-e-qe-7.6/COUPLE/examples/Makefile.gfortran\nq-e-qe-7.6/COUPLE/examples/Makefile.ifort\nq-e-qe-7.6/COUPLE/examples/README\nq-e-qe-7.6/COUPLE/examples/c2cp.cpp\nq-e-qe-7.6/COUPLE/examples/c2pw.cpp\nq-e-qe-7.6/COUPLE/examples/f2cp.f90\nq-e-qe-7.6/COUPLE/examples/f2pw.f90\nq-e-qe-7.6/COUPLE/include/\nq-e-qe-7.6/COUPLE/include/libqecouple.h\nq-e-qe-7.6/COUPLE/src/\nq-e-qe-7.6/COUPLE/src/Makefile\nq-e-qe-7.6/COUPLE/src/libcpv.f90\nq-e-qe-7.6/COUPLE/src/libpwscf.f90\nq-e-qe-7.6/COUPLE/src/libqemod.f90\nq-e-qe-7.6/COUPLE/tests/\nq-e-qe-7.6/COUPLE/tests/check-couple.j\nq-e-qe-7.6/COUPLE/tests/clean_all\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-0.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-16.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-2.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-4.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-0.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-16.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-2.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-4.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.in\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-0.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-16.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-2.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-4.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-0.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-16.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-2.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-4.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.in\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-0.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-16.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-2.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-4.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-0.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-16.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-2.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-4.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.in\nq-e-qe-7.6/CPV/\nq-e-qe-7.6/CPV/CMakeLists.txt\nq-e-qe-7.6/CPV/Doc/\nq-e-qe-7.6/CPV/Doc/INPUT_CP.def\nq-e-qe-7.6/CPV/Doc/INPUT_CPPP.def\nq-e-qe-7.6/CPV/Doc/INPUT_WFDD\nq-e-qe-7.6/CPV/Doc/Makefile\nq-e-qe-7.6/CPV/Doc/autopilot_guide.md\nq-e-qe-7.6/CPV/Doc/pandoc_template.html\nq-e-qe-7.6/CPV/Doc/pandoc_template.tex\nq-e-qe-7.6/CPV/Doc/tp.tex\nq-e-qe-7.6/CPV/Doc/user_guide.md\nq-e-qe-7.6/CPV/Ford.md\nq-e-qe-7.6/CPV/Ford/\nq-e-qe-7.6/CPV/Ford/index.md\nq-e-qe-7.6/CPV/Makefile\nq-e-qe-7.6/CPV/examples/\nq-e-qe-7.6/CPV/examples/EXX-wf-example/\nq-e-qe-7.6/CPV/examples/EXX-wf-example/01.input\nq-e-qe-7.6/CPV/examples/EXX-wf-example/01.out\nq-e-qe-7.6/CPV/examples/EXX-wf-example/02.input\nq-e-qe-7.6/CPV/examples/EXX-wf-example/02.out\nq-e-qe-7.6/CPV/examples/EXX-wf-example/H_HSCV_PBE-1.0.UPF\nq-e-qe-7.6/CPV/examples/EXX-wf-example/O_HSCV_PBE-1.0.UPF\nq-e-qe-7.6/CPV/examples/EXX-wf-example/README-Parallelization\nq-e-qe-7.6/CPV/examples/EXX-wf-example/README-example\nq-e-qe-7.6/CPV/examples/EXX-wf-example/example-job-script\nq-e-qe-7.6/CPV/examples/Extffield_example/\nq-e-qe-7.6/CPV/examples/Extffield_example/README\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.extffield\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.inp1\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.inp2\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.out1\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.out2\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/extffield.dat\nq-e-qe-7.6/CPV/examples/Extffield_example/run_example\nq-e-qe-7.6/CPV/examples/README\nq-e-qe-7.6/CPV/examples/Restart_example/\nq-e-qe-7.6/CPV/examples/Restart_example/README\nq-e-qe-7.6/CPV/examples/Restart_example/reference/\nq-e-qe-7.6/CPV/examples/Restart_example/reference/sio2.cp.restart.out\nq-e-qe-7.6/CPV/examples/Restart_example/reference/sio2.cp.start.out\nq-e-qe-7.6/CPV/examples/Restart_example/reference/sio2.pw.restart.out\nq-e-qe-7.6/CPV/examples/Restart_example/run_example\nq-e-qe-7.6/CPV/examples/autopilot-example/\nq-e-qe-7.6/CPV/examples/autopilot-example/reference/\nq-e-qe-7.6/CPV/examples/autopilot-example/reference/water.autopilot.out\nq-e-qe-7.6/CPV/examples/autopilot-example/run_example_water\nq-e-qe-7.6/CPV/examples/example01/\nq-e-qe-7.6/CPV/examples/example01/README\nq-e-qe-7.6/CPV/examples/example01/reference/\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.cp.restart.out\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.cp.start.out\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.vc-cp.out\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.vc-cp.restart.out\nq-e-qe-7.6/CPV/examples/example01/run_example\nq-e-qe-7.6/CPV/examples/example02/\nq-e-qe-7.6/CPV/examples/example02/README\nq-e-qe-7.6/CPV/examples/example02/reference/\nq-e-qe-7.6/CPV/examples/example02/reference/h2o-mol1.out\nq-e-qe-7.6/CPV/examples/example02/reference/h2o-mol2.out\nq-e-qe-7.6/CPV/examples/example02/reference/h2o-mol3.out\nq-e-qe-7.6/CPV/examples/example02/run_example\nq-e-qe-7.6/CPV/examples/example03/\nq-e-qe-7.6/CPV/examples/example03/README\nq-e-qe-7.6/CPV/examples/example03/reference/\nq-e-qe-7.6/CPV/examples/example03/reference/nh3.out\nq-e-qe-7.6/CPV/examples/example03/run_example\nq-e-qe-7.6/CPV/examples/example04/\nq-e-qe-7.6/CPV/examples/example04/README\nq-e-qe-7.6/CPV/examples/example04/reference/\nq-e-qe-7.6/CPV/examples/example04/reference/h2o-32.out\nq-e-qe-7.6/CPV/examples/example04/reference/h2o-64.out\nq-e-qe-7.6/CPV/examples/example04/run_example\nq-e-qe-7.6/CPV/examples/example05/\nq-e-qe-7.6/CPV/examples/example05/README\nq-e-qe-7.6/CPV/examples/example05/reference/\nq-e-qe-7.6/CPV/examples/example05/reference/h2o.efield.out\nq-e-qe-7.6/CPV/examples/example05/reference/h2o.wannier.out\nq-e-qe-7.6/CPV/examples/example05/run_example\nq-e-qe-7.6/CPV/examples/example06/\nq-e-qe-7.6/CPV/examples/example06/README\nq-e-qe-7.6/CPV/examples/example06/reference/\nq-e-qe-7.6/CPV/examples/example06/reference/h2o.scf.out\nq-e-qe-7.6/CPV/examples/example06/reference/h2o.wannier.out\nq-e-qe-7.6/CPV/examples/example06/run_example\nq-e-qe-7.6/CPV/examples/example07/\nq-e-qe-7.6/CPV/examples/example07/README\nq-e-qe-7.6/CPV/examples/example07/reference/\nq-e-qe-7.6/CPV/examples/example07/reference/c4h6.cp.metaGGA.out\nq-e-qe-7.6/CPV/examples/example07/reference/c4h6.pw.metaGGA.out\nq-e-qe-7.6/CPV/examples/example07/run_example\nq-e-qe-7.6/CPV/examples/example08/\nq-e-qe-7.6/CPV/examples/example08/README\nq-e-qe-7.6/CPV/examples/example08/reference/\nq-e-qe-7.6/CPV/examples/example08/reference/si2.ensemble-dyn.out\nq-e-qe-7.6/CPV/examples/example08/run_example\nq-e-qe-7.6/CPV/examples/example09/\nq-e-qe-7.6/CPV/examples/example09/README\nq-e-qe-7.6/CPV/examples/example09/reference/\nq-e-qe-7.6/CPV/examples/example09/reference/mgo.cp.cg.efield.out\nq-e-qe-7.6/CPV/examples/example09/reference/mgo.cp.cg.out\nq-e-qe-7.6/CPV/examples/example09/reference/mgo.cp.damp.efield.out\nq-e-qe-7.6/CPV/examples/example09/run_example\nq-e-qe-7.6/CPV/src/\nq-e-qe-7.6/CPV/src/Makefile\nq-e-qe-7.6/CPV/src/berryion.f90\nq-e-qe-7.6/CPV/src/bforceion.f90\nq-e-qe-7.6/CPV/src/cg.f90\nq-e-qe-7.6/CPV/src/cg_sub.f90\nq-e-qe-7.6/CPV/src/chargedensity.f90\nq-e-qe-7.6/CPV/src/cp_autopilot.f90\nq-e-qe-7.6/CPV/src/cp_control.f90\nq-e-qe-7.6/CPV/src/cp_emass.f90\nq-e-qe-7.6/CPV/src/cp_interfaces.f90\nq-e-qe-7.6/CPV/src/cp_restart_new.f90\nq-e-qe-7.6/CPV/src/cp_wavefunctions.f90\nq-e-qe-7.6/CPV/src/cplib.f90\nq-e-qe-7.6/CPV/src/cplib_meta.f90\nq-e-qe-7.6/CPV/src/cppp.f90\nq-e-qe-7.6/CPV/src/cpr.f90\nq-e-qe-7.6/CPV/src/cpr_loop.f90\nq-e-qe-7.6/CPV/src/cpr_mod.f90\nq-e-qe-7.6/CPV/src/cprstart.f90\nq-e-qe-7.6/CPV/src/dealloc.f90\nq-e-qe-7.6/CPV/src/dforceb.f90\nq-e-qe-7.6/CPV/src/efermi.f90\nq-e-qe-7.6/CPV/src/efield.f90\nq-e-qe-7.6/CPV/src/eigs0.f90\nq-e-qe-7.6/CPV/src/electrons.f90\nq-e-qe-7.6/CPV/src/electrons_nose.f90\nq-e-qe-7.6/CPV/src/energies.f90\nq-e-qe-7.6/CPV/src/ensemble_dft.f90\nq-e-qe-7.6/CPV/src/entropy.f90\nq-e-qe-7.6/CPV/src/environ_cp_module.f90\nq-e-qe-7.6/CPV/src/exch_corr.f90\nq-e-qe-7.6/CPV/src/exx_cg.f90\nq-e-qe-7.6/CPV/src/exx_es.f90\nq-e-qe-7.6/CPV/src/exx_gs.f90\nq-e-qe-7.6/CPV/src/exx_module.f90\nq-e-qe-7.6/CPV/src/exx_pair.f90\nq-e-qe-7.6/CPV/src/exx_psi.f90\nq-e-qe-7.6/CPV/src/exx_vofr.f90\nq-e-qe-7.6/CPV/src/forces.f90\nq-e-qe-7.6/CPV/src/fromscra.f90\nq-e-qe-7.6/CPV/src/gram.f90\nq-e-qe-7.6/CPV/src/gtable.f90\nq-e-qe-7.6/CPV/src/init.f90\nq-e-qe-7.6/CPV/src/init_run.f90\nq-e-qe-7.6/CPV/src/inner_loop_cold.f90\nq-e-qe-7.6/CPV/src/input.f90\nq-e-qe-7.6/CPV/src/ions_positions.f90\nq-e-qe-7.6/CPV/src/ksstates.f90\nq-e-qe-7.6/CPV/src/ldaU.f90\nq-e-qe-7.6/CPV/src/ldaU_cp.f90\nq-e-qe-7.6/CPV/src/ldaUpen.f90\nq-e-qe-7.6/CPV/src/mainvar.f90\nq-e-qe-7.6/CPV/src/manycp.f90\nq-e-qe-7.6/CPV/src/metaxc.f90\nq-e-qe-7.6/CPV/src/modules.f90\nq-e-qe-7.6/CPV/src/move_electrons.f90\nq-e-qe-7.6/CPV/src/newd.f90\nq-e-qe-7.6/CPV/src/nl_base.f90\nq-e-qe-7.6/CPV/src/nlcc.f90\nq-e-qe-7.6/CPV/src/ortho.f90\nq-e-qe-7.6/CPV/src/ortho_base.f90\nq-e-qe-7.6/CPV/src/phasefactor.f90\nq-e-qe-7.6/CPV/src/plugin_add_potential.f90\nq-e-qe-7.6/CPV/src/plugin_clean.f90\nq-e-qe-7.6/CPV/src/plugin_clock.f90\nq-e-qe-7.6/CPV/src/plugin_energy.f90\nq-e-qe-7.6/CPV/src/plugin_ext_forces.f90\nq-e-qe-7.6/CPV/src/plugin_get_potential.f90\nq-e-qe-7.6/CPV/src/plugin_init_base.f90\nq-e-qe-7.6/CPV/src/plugin_init_cell.f90\nq-e-qe-7.6/CPV/src/plugin_init_ions.f90\nq-e-qe-7.6/CPV/src/plugin_initialization.f90\nq-e-qe-7.6/CPV/src/plugin_int_forces.f90\nq-e-qe-7.6/CPV/src/plugin_print_energies.f90\nq-e-qe-7.6/CPV/src/plugin_print_info.f90\nq-e-qe-7.6/CPV/src/plugin_read_input.f90\nq-e-qe-7.6/CPV/src/plugin_utilities.f90\nq-e-qe-7.6/CPV/src/potentials.f90\nq-e-qe-7.6/CPV/src/pres_ai_mod.f90\nq-e-qe-7.6/CPV/src/print_out.f90\nq-e-qe-7.6/CPV/src/problem_size.f90\nq-e-qe-7.6/CPV/src/pseudo_base.f90\nq-e-qe-7.6/CPV/src/pseudopot.f90\nq-e-qe-7.6/CPV/src/pseudopot_sub.f90\nq-e-qe-7.6/CPV/src/qmatrixd.f90\nq-e-qe-7.6/CPV/src/qqberry.f90\nq-e-qe-7.6/CPV/src/restart.f90\nq-e-qe-7.6/CPV/src/restart_sub.f90\nq-e-qe-7.6/CPV/src/runcp.f90\nq-e-qe-7.6/CPV/src/sic.f90\nq-e-qe-7.6/CPV/src/smallbox.f90\nq-e-qe-7.6/CPV/src/smallbox_grid.f90\nq-e-qe-7.6/CPV/src/smallbox_gvec.f90\nq-e-qe-7.6/CPV/src/smallbox_lib.f90\nq-e-qe-7.6/CPV/src/smallbox_subs.f90\nq-e-qe-7.6/CPV/src/spinsq.f90\nq-e-qe-7.6/CPV/src/spline.f90\nq-e-qe-7.6/CPV/src/stop_run.f90\nq-e-qe-7.6/CPV/src/stress.f90\nq-e-qe-7.6/CPV/src/vofrho.f90\nq-e-qe-7.6/CPV/src/vol_clu.f90\nq-e-qe-7.6/CPV/src/wannier.f90\nq-e-qe-7.6/CPV/src/wannier_base.f90\nq-e-qe-7.6/CPV/src/wave.f90\nq-e-qe-7.6/CPV/src/wave_base.f90\nq-e-qe-7.6/CPV/src/wave_types.f90\nq-e-qe-7.6/CPV/src/wf.f90\nq-e-qe-7.6/CPV/src/wfdd.f90\nq-e-qe-7.6/Doc/\nq-e-qe-7.6/Doc/CMakeLists.txt\nq-e-qe-7.6/Doc/ChangeLog.cp\nq-e-qe-7.6/Doc/ChangeLog.old\nq-e-qe-7.6/Doc/ChangeLog.pw\nq-e-qe-7.6/Doc/ExternalForceFields.tex\nq-e-qe-7.6/Doc/Hubbard_input.tex\nq-e-qe-7.6/Doc/Makefile\nq-e-qe-7.6/Doc/README\nq-e-qe-7.6/Doc/brillouin_zones.tex\nq-e-qe-7.6/Doc/constraints_HOWTO.tex\nq-e-qe-7.6/Doc/html.sty\nq-e-qe-7.6/Doc/images/\nq-e-qe-7.6/Doc/images/bcc_bi.png\nq-e-qe-7.6/Doc/images/bco_1.png\nq-e-qe-7.6/Doc/images/bco_2.png\nq-e-qe-7.6/Doc/images/bco_3.png\nq-e-qe-7.6/Doc/images/bco_4.png\nq-e-qe-7.6/Doc/images/bco_5.png\nq-e-qe-7.6/Doc/images/bco_6.png\nq-e-qe-7.6/Doc/images/cubic_bi.png\nq-e-qe-7.6/Doc/images/fcc_bi.png\nq-e-qe-7.6/Doc/images/fcc_sc.png\nq-e-qe-7.6/Doc/images/hex.png\nq-e-qe-7.6/Doc/images/monob.png\nq-e-qe-7.6/Doc/images/monoc.png\nq-e-qe-7.6/Doc/images/ofc_1.png\nq-e-qe-7.6/Doc/images/ofc_10.png\nq-e-qe-7.6/Doc/images/ofc_11.png\nq-e-qe-7.6/Doc/images/ofc_12.png\nq-e-qe-7.6/Doc/images/ofc_13.png\nq-e-qe-7.6/Doc/images/ofc_14.png\nq-e-qe-7.6/Doc/images/ofc_15.png\nq-e-qe-7.6/Doc/images/ofc_16.png\nq-e-qe-7.6/Doc/images/ofc_17.png\nq-e-qe-7.6/Doc/images/ofc_18.png\nq-e-qe-7.6/Doc/images/ofc_2.png\nq-e-qe-7.6/Doc/images/ofc_3.png\nq-e-qe-7.6/Doc/images/ofc_4.png\nq-e-qe-7.6/Doc/images/ofc_5.png\nq-e-qe-7.6/Doc/images/ofc_6.png\nq-e-qe-7.6/Doc/images/ofc_7.png\nq-e-qe-7.6/Doc/images/ofc_8.png\nq-e-qe-7.6/Doc/images/ofc_9.png\nq-e-qe-7.6/Doc/images/ofco_1.png\nq-e-qe-7.6/Doc/images/ofco_2.png\nq-e-qe-7.6/Doc/images/so.png\nq-e-qe-7.6/Doc/images/st.png\nq-e-qe-7.6/Doc/images/stc1.png\nq-e-qe-7.6/Doc/images/stc2.png\nq-e-qe-7.6/Doc/images/stc2_sc.png\nq-e-qe-7.6/Doc/images/tri_1.png\nq-e-qe-7.6/Doc/images/tri_2.png\nq-e-qe-7.6/Doc/pic/\nq-e-qe-7.6/Doc/pic/hh_fes.pdf\nq-e-qe-7.6/Doc/pic/sn2_fes.pdf\nq-e-qe-7.6/Doc/pic/sn2_reaction.pdf\nq-e-qe-7.6/Doc/pic/sn2cv.pdf\nq-e-qe-7.6/Doc/pic/sn2cvs.pdf\nq-e-qe-7.6/Doc/plumed_quick_ref.tex\nq-e-qe-7.6/Doc/quantum_espresso.png\nq-e-qe-7.6/Doc/quote.tex\nq-e-qe-7.6/Doc/release-notes\nq-e-qe-7.6/Doc/user_guide.tex\nq-e-qe-7.6/EPW/\nq-e-qe-7.6/EPW/.dependencies\nq-e-qe-7.6/EPW/CMakeLists.txt\nq-e-qe-7.6/EPW/License\nq-e-qe-7.6/EPW/Makefile\nq-e-qe-7.6/EPW/README\nq-e-qe-7.6/EPW/ZG/\nq-e-qe-7.6/EPW/ZG/README\nq-e-qe-7.6/EPW/ZG/src/\nq-e-qe-7.6/EPW/ZG/src/Makefile\nq-e-qe-7.6/EPW/ZG/src/ZG.f90\nq-e-qe-7.6/EPW/ZG/src/bands_unfold.f90\nq-e-qe-7.6/EPW/ZG/src/disca.f90\nq-e-qe-7.6/EPW/ZG/src/epsilon_Gaus.f90\nq-e-qe-7.6/EPW/ZG/src/local/\nq-e-qe-7.6/EPW/ZG/src/local/JDOS.sh\nq-e-qe-7.6/EPW/ZG/src/local/JDOS_Gaus.f90\nq-e-qe-7.6/EPW/ZG/src/local/commands_bands.sh\nq-e-qe-7.6/EPW/ZG/src/local/compile_gfortran.sh\nq-e-qe-7.6/EPW/ZG/src/local/compile_ifort.sh\nq-e-qe-7.6/EPW/ZG/src/local/create_qlist.f90\nq-e-qe-7.6/EPW/ZG/src/local/epsi_av.sh\nq-e-qe-7.6/EPW/ZG/src/local/kpoints_band_str_unfold.f90\nq-e-qe-7.6/EPW/ZG/src/local/merge_bands.sh\nq-e-qe-7.6/EPW/ZG/src/local/merge_files.sh\nq-e-qe-7.6/EPW/ZG/src/local/rotate.f90\nq-e-qe-7.6/EPW/ZG/src/pp_disca.f90\nq-e-qe-7.6/EPW/ZG/src/pp_spctrlfn.f90\nq-e-qe-7.6/EPW/ZG/tutorial.tar.gz\nq-e-qe-7.6/EPW/bin/\nq-e-qe-7.6/EPW/bin/allocate.py\nq-e-qe-7.6/EPW/bin/pp-xml-depreciated.py\nq-e-qe-7.6/EPW/bin/pp.py\nq-e-qe-7.6/EPW/doc/\nq-e-qe-7.6/EPW/doc/Ford/\nq-e-qe-7.6/EPW/doc/Ford/index.md\nq-e-qe-7.6/EPW/doc/graveyard.txt\nq-e-qe-7.6/EPW/epw.md\nq-e-qe-7.6/EPW/examples/\nq-e-qe-7.6/EPW/examples/diamond/\nq-e-qe-7.6/EPW/examples/diamond/epw/\nq-e-qe-7.6/EPW/examples/diamond/epw/epw.in\nq-e-qe-7.6/EPW/examples/diamond/epw/epw2.in\nq-e-qe-7.6/EPW/examples/diamond/epw/epw3.in\nq-e-qe-7.6/EPW/examples/diamond/epw/epw4.in\nq-e-qe-7.6/EPW/examples/diamond/epw/meshes/\nq-e-qe-7.6/EPW/examples/diamond/epw/meshes/kgen.py\nq-e-qe-7.6/EPW/examples/diamond/epw/meshes/path.dat\nq-e-qe-7.6/EPW/examples/diamond/epw/nscf.in\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.H\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.P\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.dynmat\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.epmat_wanep\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.epwane\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/diam.wout\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/epw.out\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/epw2.out\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/lifetime.phself_34\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/linewidth.elself_50\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/linewidth.phself_50\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/nscf.out\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/scf.out\nq-e-qe-7.6/EPW/examples/diamond/epw/scf.in\nq-e-qe-7.6/EPW/examples/diamond/phonons/\nq-e-qe-7.6/EPW/examples/diamond/phonons/Ref/\nq-e-qe-7.6/EPW/examples/diamond/phonons/Ref/ph.out\nq-e-qe-7.6/EPW/examples/diamond/phonons/Ref/scf.out\nq-e-qe-7.6/EPW/examples/diamond/phonons/ph.in\nq-e-qe-7.6/EPW/examples/diamond/phonons/pp.py\nq-e-qe-7.6/EPW/examples/diamond/phonons/scf.in\nq-e-qe-7.6/EPW/examples/diamond/pp/\nq-e-qe-7.6/EPW/examples/diamond/pp/C_3.98148.UPF\nq-e-qe-7.6/EPW/examples/gan/\nq-e-qe-7.6/EPW/examples/gan/epw/\nq-e-qe-7.6/EPW/examples/gan/epw/epw.in\nq-e-qe-7.6/EPW/examples/gan/epw/gan_band.qpt\nq-e-qe-7.6/EPW/examples/gan/epw/nscf.in\nq-e-qe-7.6/EPW/examples/gan/epw/scf.in\nq-e-qe-7.6/EPW/examples/gan/phonons/\nq-e-qe-7.6/EPW/examples/gan/phonons/ph.in\nq-e-qe-7.6/EPW/examples/gan/phonons/pp.py\nq-e-qe-7.6/EPW/examples/gan/phonons/scf.in\nq-e-qe-7.6/EPW/examples/gan/pp/\nq-e-qe-7.6/EPW/examples/gan/pp/Ga_ONCV_LDA-1.0.upf\nq-e-qe-7.6/EPW/examples/gan/pp/N_ONCV_LDA-1.0.upf\nq-e-qe-7.6/EPW/examples/lif_elpa/\nq-e-qe-7.6/EPW/examples/lif_elpa/README.txt\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/clean.sh\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/epw1.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/epw2.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/epw3.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/nscf.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/run.sh\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/scf.in\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/ph.in\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/run.sh\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/scf.in\nq-e-qe-7.6/EPW/examples/lif_elpa/pseudo/\nq-e-qe-7.6/EPW/examples/lif_elpa/pseudo/F.upf\nq-e-qe-7.6/EPW/examples/lif_elpa/pseudo/Li.upf\nq-e-qe-7.6/EPW/examples/lif_g/\nq-e-qe-7.6/EPW/examples/lif_g/README.txt\nq-e-qe-7.6/EPW/examples/lif_g/check_g.sh\nq-e-qe-7.6/EPW/examples/lif_g/epw/\nq-e-qe-7.6/EPW/examples/lif_g/epw/clean.sh\nq-e-qe-7.6/EPW/examples/lif_g/epw/epw1.in\nq-e-qe-7.6/EPW/examples/lif_g/epw/kpoints.dat\nq-e-qe-7.6/EPW/examples/lif_g/epw/nscf.in\nq-e-qe-7.6/EPW/examples/lif_g/epw/ph.in\nq-e-qe-7.6/EPW/examples/lif_g/epw/qpoints.dat\nq-e-qe-7.6/EPW/examples/lif_g/epw/run.sh\nq-e-qe-7.6/EPW/examples/lif_g/epw/scf.in\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/clean.sh\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/ph.in\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/run.sh\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/scf.in\nq-e-qe-7.6/EPW/examples/lif_g/pseudo/\nq-e-qe-7.6/EPW/examples/lif_g/pseudo/F.upf\nq-e-qe-7.6/EPW/examples/lif_g/pseudo/Li.upf\nq-e-qe-7.6/EPW/examples/lif_hdf5/\nq-e-qe-7.6/EPW/examples/lif_hdf5/11-epsilon/\nq-e-qe-7.6/EPW/examples/lif_hdf5/11-epsilon/epsilon.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/11-epsilon/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/12-sigma/\nq-e-qe-7.6/EPW/examples/lif_hdf5/12-sigma/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/12-sigma/sigma.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/13-kernel/\nq-e-qe-7.6/EPW/examples/lif_hdf5/13-kernel/kernel.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/13-kernel/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/absorption.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/plotxct.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/summarize_eigenvectors.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/README.txt\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/epw1.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/epw2.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/epw3.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/path.kpt\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/ph.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/run.epw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/run.ph.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/scf.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/01-Density/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/01-Density/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/01-Density/scf.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/link.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/generate_ex_band.py\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/link.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/run.bse.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/kernel.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/absorption.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/pseudos/\nq-e-qe-7.6/EPW/examples/lif_hdf5/pseudos/F.upf\nq-e-qe-7.6/EPW/examples/lif_hdf5/pseudos/Li.upf\nq-e-qe-7.6/EPW/examples/lif_hdf5/run.espresso.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/setup.sh\nq-e-qe-7.6/EPW/examples/mgb2/\nq-e-qe-7.6/EPW/examples/mgb2/epw/\nq-e-qe-7.6/EPW/examples/mgb2/epw/epw.in\nq-e-qe-7.6/EPW/examples/mgb2/epw/nscf.in\nq-e-qe-7.6/EPW/examples/mgb2/epw/scf.in\nq-e-qe-7.6/EPW/examples/mgb2/phonons/\nq-e-qe-7.6/EPW/examples/mgb2/phonons/ph.in\nq-e-qe-7.6/EPW/examples/mgb2/phonons/pp.py\nq-e-qe-7.6/EPW/examples/mgb2/phonons/scf.in\nq-e-qe-7.6/EPW/examples/mgb2/pp/\nq-e-qe-7.6/EPW/examples/mgb2/pp/B.pz-vbc.UPF\nq-e-qe-7.6/EPW/examples/mgb2/pp/Mg.pz-n-vbc.UPF\nq-e-qe-7.6/EPW/examples/pb/\nq-e-qe-7.6/EPW/examples/pb/pp/\nq-e-qe-7.6/EPW/examples/pb/pp/pb_s.UPF\nq-e-qe-7.6/EPW/examples/pb/wSOC/\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/epw.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/nscf.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/scf.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/ph.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/pp.py\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/scf.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/epw.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/nscf.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/scf.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/ph.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/pp.py\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/scf.in\nq-e-qe-7.6/EPW/examples/sic/\nq-e-qe-7.6/EPW/examples/sic/epw/\nq-e-qe-7.6/EPW/examples/sic/epw/epw.in\nq-e-qe-7.6/EPW/examples/sic/epw/meshes/\nq-e-qe-7.6/EPW/examples/sic/epw/meshes/10.dat\nq-e-qe-7.6/EPW/examples/sic/epw/nscf.in\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.H\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.P\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.dynmat\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.epmat_wanep\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.epwane\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/epw.out\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/nscf.out\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/scf.out\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/sic.wout\nq-e-qe-7.6/EPW/examples/sic/epw/scf.in\nq-e-qe-7.6/EPW/examples/sic/phonons/\nq-e-qe-7.6/EPW/examples/sic/phonons/out.ref/\nq-e-qe-7.6/EPW/examples/sic/phonons/out.ref/scf.out\nq-e-qe-7.6/EPW/examples/sic/phonons/ph.in\nq-e-qe-7.6/EPW/examples/sic/phonons/pp.py\nq-e-qe-7.6/EPW/examples/sic/phonons/scf.in\nq-e-qe-7.6/EPW/examples/sic/pp/\nq-e-qe-7.6/EPW/examples/sic/pp/C.UPF\nq-e-qe-7.6/EPW/examples/sic/pp/Si.pz-vbc.UPF\nq-e-qe-7.6/EPW/irobjs/\nq-e-qe-7.6/EPW/irobjs/Makefile\nq-e-qe-7.6/EPW/irobjs/README.md\nq-e-qe-7.6/EPW/irobjs/ir_nlambda5_ndigit6.dat\nq-e-qe-7.6/EPW/src/\nq-e-qe-7.6/EPW/src/Makefile\nq-e-qe-7.6/EPW/src/bloch2wannier.f90\nq-e-qe-7.6/EPW/src/close.f90\nq-e-qe-7.6/EPW/src/cumulant.f90\nq-e-qe-7.6/EPW/src/dvqhub.f90\nq-e-qe-7.6/EPW/src/dvqpsi.f90\nq-e-qe-7.6/EPW/src/ep_coarse.f90\nq-e-qe-7.6/EPW/src/ep_coarse_unfolding.f90\nq-e-qe-7.6/EPW/src/ep_constants.f90\nq-e-qe-7.6/EPW/src/epw.f90\nq-e-qe-7.6/EPW/src/exphonon.f90\nq-e-qe-7.6/EPW/src/expolaron.f90\nq-e-qe-7.6/EPW/src/global_setups.f90\nq-e-qe-7.6/EPW/src/global_var.f90\nq-e-qe-7.6/EPW/src/indabs.f90\nq-e-qe-7.6/EPW/src/init.f90\nq-e-qe-7.6/EPW/src/input.f90\nq-e-qe-7.6/EPW/src/io/\nq-e-qe-7.6/EPW/src/io/change.sh\nq-e-qe-7.6/EPW/src/io/io.f90\nq-e-qe-7.6/EPW/src/io/io_ahc.f90\nq-e-qe-7.6/EPW/src/io/io_indabs.f90\nq-e-qe-7.6/EPW/src/io/io_selfen.f90\nq-e-qe-7.6/EPW/src/io/io_sparse_ir.f90\nq-e-qe-7.6/EPW/src/io/io_supercond.f90\nq-e-qe-7.6/EPW/src/io/io_transport.f90\nq-e-qe-7.6/EPW/src/io/io_var.f90\nq-e-qe-7.6/EPW/src/longrange.f90\nq-e-qe-7.6/EPW/src/onemkl_wrappers.f90\nq-e-qe-7.6/EPW/src/phph.f90\nq-e-qe-7.6/EPW/src/polaron.f90\nq-e-qe-7.6/EPW/src/printing.f90\nq-e-qe-7.6/EPW/src/pw2wan.f90\nq-e-qe-7.6/EPW/src/qdabs.f90\nq-e-qe-7.6/EPW/src/qe_wrappers.f90\nq-e-qe-7.6/EPW/src/readin.f90\nq-e-qe-7.6/EPW/src/selfen.f90\nq-e-qe-7.6/EPW/src/setups.f90\nq-e-qe-7.6/EPW/src/spectral.f90\nq-e-qe-7.6/EPW/src/stop.f90\nq-e-qe-7.6/EPW/src/summaries.f90\nq-e-qe-7.6/EPW/src/supercond.f90\nq-e-qe-7.6/EPW/src/supercond_aniso.f90\nq-e-qe-7.6/EPW/src/supercond_common.f90\nq-e-qe-7.6/EPW/src/supercond_coul.f90\nq-e-qe-7.6/EPW/src/supercond_driver.f90\nq-e-qe-7.6/EPW/src/supercond_iso.f90\nq-e-qe-7.6/EPW/src/supercond_vertex.f90\nq-e-qe-7.6/EPW/src/tdbe_common.f90\nq-e-qe-7.6/EPW/src/tdbe_driver.f90\nq-e-qe-7.6/EPW/src/tdbe_mod.f90\nq-e-qe-7.6/EPW/src/transport.f90\nq-e-qe-7.6/EPW/src/transport_legacy.f90\nq-e-qe-7.6/EPW/src/transport_mag.f90\nq-e-qe-7.6/EPW/src/use_wannier.f90\nq-e-qe-7.6/EPW/src/utilities/\nq-e-qe-7.6/EPW/src/utilities/bcast_input.f90\nq-e-qe-7.6/EPW/src/utilities/bzgrid.f90\nq-e-qe-7.6/EPW/src/utilities/change.sh\nq-e-qe-7.6/EPW/src/utilities/check_deps.sh\nq-e-qe-7.6/EPW/src/utilities/clean_unused_modules.py\nq-e-qe-7.6/EPW/src/utilities/clean_unused_variables.py\nq-e-qe-7.6/EPW/src/utilities/kfold.f90\nq-e-qe-7.6/EPW/src/utilities/kgen.f90\nq-e-qe-7.6/EPW/src/utilities/low_lvl.f90\nq-e-qe-7.6/EPW/src/utilities/nscf2supercond.f90\nq-e-qe-7.6/EPW/src/utilities/parallelism.f90\nq-e-qe-7.6/EPW/src/utilities/screening.f90\nq-e-qe-7.6/EPW/src/utilities/sparse_ir.f90\nq-e-qe-7.6/EPW/src/utilities/symmetry.f90\nq-e-qe-7.6/EPW/src/utilities/utilities.f90\nq-e-qe-7.6/EPW/src/wann_common.f90\nq-e-qe-7.6/EPW/src/wannier.f90\nq-e-qe-7.6/EPW/src/wannier2bloch.f90\nq-e-qe-7.6/EPW/src/wannier2bloch_opt.f90\nq-e-qe-7.6/EPW/src/wannierization.f90\nq-e-qe-7.6/EPW/src/wfpt.f90\nq-e-qe-7.6/EPW/src/wigner.f90\nq-e-qe-7.6/FFTXlib/\nq-e-qe-7.6/FFTXlib/CMakeLists.txt\nq-e-qe-7.6/FFTXlib/Makefile\nq-e-qe-7.6/FFTXlib/README.md\nq-e-qe-7.6/FFTXlib/examples/\nq-e-qe-7.6/FFTXlib/examples/reference/\nq-e-qe-7.6/FFTXlib/examples/reference/fft_test0.out\nq-e-qe-7.6/FFTXlib/examples/run_example\nq-e-qe-7.6/FFTXlib/src/\nq-e-qe-7.6/FFTXlib/src/CMakeLists.txt\nq-e-qe-7.6/FFTXlib/src/Makefile\nq-e-qe-7.6/FFTXlib/src/fft_buffers.f90\nq-e-qe-7.6/FFTXlib/src/fft_error.f90\nq-e-qe-7.6/FFTXlib/src/fft_fwinv.f90\nq-e-qe-7.6/FFTXlib/src/fft_ggen.f90\nq-e-qe-7.6/FFTXlib/src/fft_helper_subroutines.f90\nq-e-qe-7.6/FFTXlib/src/fft_interfaces.f90\nq-e-qe-7.6/FFTXlib/src/fft_interpolate.f90\nq-e-qe-7.6/FFTXlib/src/fft_parallel.f90\nq-e-qe-7.6/FFTXlib/src/fft_parallel_2d.f90\nq-e-qe-7.6/FFTXlib/src/fft_param.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.DFTI.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.ESSL.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.FFTW.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.FFTW3.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.SX6.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.cuFFT.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter_2d.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter_2d_gpu.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter_gpu.f90\nq-e-qe-7.6/FFTXlib/src/fft_smallbox.f90\nq-e-qe-7.6/FFTXlib/src/fft_smallbox_type.f90\nq-e-qe-7.6/FFTXlib/src/fft_stick.c\nq-e-qe-7.6/FFTXlib/src/fft_support.f90\nq-e-qe-7.6/FFTXlib/src/fft_types.f90\nq-e-qe-7.6/FFTXlib/src/fftw.c\nq-e-qe-7.6/FFTXlib/src/fftw.h\nq-e-qe-7.6/FFTXlib/src/fftw_dp.c\nq-e-qe-7.6/FFTXlib/src/fftw_dp.h\nq-e-qe-7.6/FFTXlib/src/fftw_interfaces.f90\nq-e-qe-7.6/FFTXlib/src/fftw_sp.c\nq-e-qe-7.6/FFTXlib/src/fftw_sp.h\nq-e-qe-7.6/FFTXlib/src/konst.h\nq-e-qe-7.6/FFTXlib/src/scatter_mod.f90\nq-e-qe-7.6/FFTXlib/src/stick_base.f90\nq-e-qe-7.6/FFTXlib/src/tg_gather.f90\nq-e-qe-7.6/FFTXlib/tests/\nq-e-qe-7.6/FFTXlib/tests/CMakeLists.txt\nq-e-qe-7.6/FFTXlib/tests/Makefile\nq-e-qe-7.6/FFTXlib/tests/fft_test.f90\nq-e-qe-7.6/FFTXlib/tests/gen_test_params.py\nq-e-qe-7.6/FFTXlib/tests/recips.f90\nq-e-qe-7.6/FFTXlib/tests/sort.f90\nq-e-qe-7.6/FFTXlib/tests/test_fft_scalar_gpu.f90\nq-e-qe-7.6/FFTXlib/tests/test_fft_scatter_mod_gpu.f90\nq-e-qe-7.6/FFTXlib/tests/test_fwinv_gpu.f90\nq-e-qe-7.6/FFTXlib/tests/tester.f90\nq-e-qe-7.6/FFTXlib/tests/utils.f90\nq-e-qe-7.6/GUI/\nq-e-qe-7.6/GUI/CMakeLists.txt\nq-e-qe-7.6/GUI/Guib/\nq-e-qe-7.6/GUI/Guib/AUTHORS\nq-e-qe-7.6/GUI/Guib/BUGS\nq-e-qe-7.6/GUI/Guib/COPYING\nq-e-qe-7.6/GUI/Guib/COPYRIGHT\nq-e-qe-7.6/GUI/Guib/ChangeLog\nq-e-qe-7.6/GUI/Guib/INSTALL\nq-e-qe-7.6/GUI/Guib/Makefile\nq-e-qe-7.6/GUI/Guib/NEWS\nq-e-qe-7.6/GUI/Guib/README\nq-e-qe-7.6/GUI/Guib/THANKS\nq-e-qe-7.6/GUI/Guib/TODO\nq-e-qe-7.6/GUI/Guib/VERSION\nq-e-qe-7.6/GUI/Guib/doc/\nq-e-qe-7.6/GUI/Guib/doc/Makefile\nq-e-qe-7.6/GUI/Guib/doc/diagrams/\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-new.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-new.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-open.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-open.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/Guib.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/Guib.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/Makefile\nq-e-qe-7.6/GUI/Guib/doc/diagrams/PWgui.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/PWgui.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/myGUI.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/myGUI.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/myGUI.tcl\nq-e-qe-7.6/GUI/Guib/doc/diagrams/parsing.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/parsing.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/topng.sh\nq-e-qe-7.6/GUI/Guib/doc/robodoc.rc\nq-e-qe-7.6/GUI/Guib/doc/usage.tex\nq-e-qe-7.6/GUI/Guib/examples/\nq-e-qe-7.6/GUI/Guib/examples/README\nq-e-qe-7.6/GUI/Guib/examples/dimension.inp\nq-e-qe-7.6/GUI/Guib/examples/dimension.tcl\nq-e-qe-7.6/GUI/Guib/examples/kpoints.inp\nq-e-qe-7.6/GUI/Guib/examples/kpoints.tcl\nq-e-qe-7.6/GUI/Guib/examples/pages.inp\nq-e-qe-7.6/GUI/Guib/examples/pages.tcl\nq-e-qe-7.6/GUI/Guib/examples/run.sh\nq-e-qe-7.6/GUI/Guib/examples/simpleSim.inp\nq-e-qe-7.6/GUI/Guib/examples/simpleSim.tcl\nq-e-qe-7.6/GUI/Guib/examples/two_pages.tcl\nq-e-qe-7.6/GUI/Guib/examples/validate.inp\nq-e-qe-7.6/GUI/Guib/examples/validate.tcl\nq-e-qe-7.6/GUI/Guib/external/\nq-e-qe-7.6/GUI/Guib/external/lib/\nq-e-qe-7.6/GUI/Guib/external/lib/cmdline/\nq-e-qe-7.6/GUI/Guib/external/lib/cmdline/cmdline.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/cmdline/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/fileutil/\nq-e-qe-7.6/GUI/Guib/external/lib/fileutil/fileutil.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/fileutil/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/license.terms\nq-e-qe-7.6/GUI/Guib/external/lib/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/guib\nq-e-qe-7.6/GUI/Guib/guib.bat\nq-e-qe-7.6/GUI/Guib/guib.tcl\nq-e-qe-7.6/GUI/Guib/guib.theme\nq-e-qe-7.6/GUI/Guib/header.tcl\nq-e-qe-7.6/GUI/Guib/images/\nq-e-qe-7.6/GUI/Guib/images/exit2.gif\nq-e-qe-7.6/GUI/Guib/images/fileclose2.gif\nq-e-qe-7.6/GUI/Guib/images/filenew2.gif\nq-e-qe-7.6/GUI/Guib/images/fileopen2.gif\nq-e-qe-7.6/GUI/Guib/images/filesave2.gif\nq-e-qe-7.6/GUI/Guib/images/filesaveas2.gif\nq-e-qe-7.6/GUI/Guib/images/icons.license\nq-e-qe-7.6/GUI/Guib/init.tcl\nq-e-qe-7.6/GUI/Guib/lib/\nq-e-qe-7.6/GUI/Guib/lib/Makefile\nq-e-qe-7.6/GUI/Guib/lib/aindex\nq-e-qe-7.6/GUI/Guib/lib/header.tcl\nq-e-qe-7.6/GUI/Guib/lib/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/lib/tclIndex\nq-e-qe-7.6/GUI/Guib/lib/tclUtils.tcl\nq-e-qe-7.6/GUI/Guib/lib/tkUtils.tcl\nq-e-qe-7.6/GUI/Guib/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/src/\nq-e-qe-7.6/GUI/Guib/src/Makefile\nq-e-qe-7.6/GUI/Guib/src/aindex\nq-e-qe-7.6/GUI/Guib/src/build.itcl\nq-e-qe-7.6/GUI/Guib/src/dialogshell.itcl\nq-e-qe-7.6/GUI/Guib/src/fnml.tcl\nq-e-qe-7.6/GUI/Guib/src/gui.itcl\nq-e-qe-7.6/GUI/Guib/src/guib-keywords-def.tcl\nq-e-qe-7.6/GUI/Guib/src/guib.itcl\nq-e-qe-7.6/GUI/Guib/src/guibKeywords.itcl\nq-e-qe-7.6/GUI/Guib/src/guibUtils.itcl\nq-e-qe-7.6/GUI/Guib/src/help.itcl\nq-e-qe-7.6/GUI/Guib/src/keywidgets.itcl\nq-e-qe-7.6/GUI/Guib/src/keywordObj.itcl\nq-e-qe-7.6/GUI/Guib/src/moduleObj.itcl\nq-e-qe-7.6/GUI/Guib/src/open.itcl\nq-e-qe-7.6/GUI/Guib/src/optionmenuhelp.itcl\nq-e-qe-7.6/GUI/Guib/src/radioboxhelp.itcl\nq-e-qe-7.6/GUI/Guib/src/save.itcl\nq-e-qe-7.6/GUI/Guib/src/simpleGui.itcl\nq-e-qe-7.6/GUI/Guib/src/spininthelp.itcl\nq-e-qe-7.6/GUI/Guib/src/store.itcl\nq-e-qe-7.6/GUI/Guib/src/table.itcl\nq-e-qe-7.6/GUI/Guib/src/tclIndex\nq-e-qe-7.6/GUI/Guib/src/text.itcl\nq-e-qe-7.6/GUI/Guib/src/validate.itcl\nq-e-qe-7.6/GUI/Guib/src/widgets.itcl\nq-e-qe-7.6/GUI/Guib/sys_utils/\nq-e-qe-7.6/GUI/Guib/sys_utils/mgt.tabs\nq-e-qe-7.6/GUI/Guib/sys_utils/repack.sh\nq-e-qe-7.6/GUI/Makefile\nq-e-qe-7.6/GUI/PWgui/\nq-e-qe-7.6/GUI/PWgui/AUTHORS\nq-e-qe-7.6/GUI/PWgui/BUGS\nq-e-qe-7.6/GUI/PWgui/COPYING\nq-e-qe-7.6/GUI/PWgui/COPYRIGHT\nq-e-qe-7.6/GUI/PWgui/ChangeLog\nq-e-qe-7.6/GUI/PWgui/INSTALL\nq-e-qe-7.6/GUI/PWgui/INSTALL.repository\nq-e-qe-7.6/GUI/PWgui/Makefile\nq-e-qe-7.6/GUI/PWgui/NEWS\nq-e-qe-7.6/GUI/PWgui/README\nq-e-qe-7.6/GUI/PWgui/README.developer\nq-e-qe-7.6/GUI/PWgui/THANKS\nq-e-qe-7.6/GUI/PWgui/TODO\nq-e-qe-7.6/GUI/PWgui/VERSION\nq-e-qe-7.6/GUI/PWgui/doc/\nq-e-qe-7.6/GUI/PWgui/doc/Makefile\nq-e-qe-7.6/GUI/PWgui/doc/htmlise.sh\nq-e-qe-7.6/GUI/PWgui/examples/\nq-e-qe-7.6/GUI/PWgui/examples/atomic/\nq-e-qe-7.6/GUI/PWgui/examples/atomic/pt.all_electron.in\nq-e-qe-7.6/GUI/PWgui/examples/atomic/pt.pseudo_gen.in\nq-e-qe-7.6/GUI/PWgui/examples/atomic/rh.pseudo_test.in\nq-e-qe-7.6/GUI/PWgui/examples/d3/\nq-e-qe-7.6/GUI/PWgui/examples/d3/sample.d3.inp\nq-e-qe-7.6/GUI/PWgui/examples/neb.dat/\nq-e-qe-7.6/GUI/PWgui/examples/neb.dat/neb.dat\nq-e-qe-7.6/GUI/PWgui/examples/ph/\nq-e-qe-7.6/GUI/PWgui/examples/ph/sample.ph.inp\nq-e-qe-7.6/GUI/PWgui/examples/pp/\nq-e-qe-7.6/GUI/PWgui/examples/pp/psi2-noncolin.pp.in\nq-e-qe-7.6/GUI/PWgui/examples/pp/psi2-v2.pp.inp\nq-e-qe-7.6/GUI/PWgui/examples/pp/psi2.pp.inp\nq-e-qe-7.6/GUI/PWgui/examples/projwfc/\nq-e-qe-7.6/GUI/PWgui/examples/projwfc/sample.pr.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/\nq-e-qe-7.6/GUI/PWgui/examples/pw/Si_band.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/Si_scf.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/abc.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/addit-k-points.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/additional_k_points\nq-e-qe-7.6/GUI/PWgui/examples/pw/al.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/al.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/atomic_positions\nq-e-qe-7.6/GUI/PWgui/examples/pw/cu.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/cu.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/hubbard+occup.pw.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/hubbard.pw.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/k_points\nq-e-qe-7.6/GUI/PWgui/examples/pw/ni.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/ni.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/occup+hubbard.pw.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/occupations.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/sample.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/si.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/si.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/vdw_corr.in\nq-e-qe-7.6/GUI/PWgui/external/\nq-e-qe-7.6/GUI/PWgui/external/lib/\nq-e-qe-7.6/GUI/PWgui/external/lib/Makefile\nq-e-qe-7.6/GUI/PWgui/external/lib/license.terms\nq-e-qe-7.6/GUI/PWgui/external/src/\nq-e-qe-7.6/GUI/PWgui/external/src/Makefile\nq-e-qe-7.6/GUI/PWgui/external/src/license.terms\nq-e-qe-7.6/GUI/PWgui/external/src/tkAppInit.c\nq-e-qe-7.6/GUI/PWgui/header.tcl\nq-e-qe-7.6/GUI/PWgui/images/\nq-e-qe-7.6/GUI/PWgui/images/license.terms\nq-e-qe-7.6/GUI/PWgui/images/pwgui-logo.gif\nq-e-qe-7.6/GUI/PWgui/images/pwgui-logo.xcf.bz2\nq-e-qe-7.6/GUI/PWgui/images/pwscf-logo.gif\nq-e-qe-7.6/GUI/PWgui/init.tcl\nq-e-qe-7.6/GUI/PWgui/lib/\nq-e-qe-7.6/GUI/PWgui/lib/.dont-delete\nq-e-qe-7.6/GUI/PWgui/make.usage\nq-e-qe-7.6/GUI/PWgui/modules/\nq-e-qe-7.6/GUI/PWgui/modules/atomic/\nq-e-qe-7.6/GUI/PWgui/modules/atomic/atomic-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/atomic/atomic-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/atomic/atomic.tcl\nq-e-qe-7.6/GUI/PWgui/modules/atomic/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/\nq-e-qe-7.6/GUI/PWgui/modules/bands/bands-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/bands-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/bands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/\nq-e-qe-7.6/GUI/PWgui/modules/d3/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/d3-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/d3-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/d3.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/\nq-e-qe-7.6/GUI/PWgui/modules/dos/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/dos-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/dos-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/dos.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/\nq-e-qe-7.6/GUI/PWgui/modules/hp/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/hp-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/hp-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/hp.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/\nq-e-qe-7.6/GUI/PWgui/modules/neb/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/neb-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/neb-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/neb.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/\nq-e-qe-7.6/GUI/PWgui/modules/ph/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/ph-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/ph-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/ph.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/\nq-e-qe-7.6/GUI/PWgui/modules/pp/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/pp-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/pp-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/pp.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/projwfc-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/projwfc-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/projwfc.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/\nq-e-qe-7.6/GUI/PWgui/modules/pw/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/pw-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/pw-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/pw.tcl\nq-e-qe-7.6/GUI/PWgui/pwgui\nq-e-qe-7.6/GUI/PWgui/pwgui.bat\nq-e-qe-7.6/GUI/PWgui/pwgui.settings\nq-e-qe-7.6/GUI/PWgui/pwgui.tcl\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/MakeDir.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/Makefile\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/README\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/darwin-ppc.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/linux-x86.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/linux-x86_64.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/make.darwin\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/make.linux\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/make.win32\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/win32.sh\nq-e-qe-7.6/GUI/PWgui/src/\nq-e-qe-7.6/GUI/PWgui/src/Makefile\nq-e-qe-7.6/GUI/PWgui/src/about.html\nq-e-qe-7.6/GUI/PWgui/src/aindex\nq-e-qe-7.6/GUI/PWgui/src/auxil.itcl\nq-e-qe-7.6/GUI/PWgui/src/edit.itcl\nq-e-qe-7.6/GUI/PWgui/src/init.itcl\nq-e-qe-7.6/GUI/PWgui/src/menustate.itcl\nq-e-qe-7.6/GUI/PWgui/src/modutil.itcl\nq-e-qe-7.6/GUI/PWgui/src/pwscf.itcl\nq-e-qe-7.6/GUI/PWgui/src/pwscf.theme\nq-e-qe-7.6/GUI/PWgui/src/run.itcl\nq-e-qe-7.6/GUI/PWgui/src/settings.itcl\nq-e-qe-7.6/GUI/PWgui/src/tclIndex\nq-e-qe-7.6/GUI/PWgui/src/view.itcl\nq-e-qe-7.6/GUI/PWgui/sys_utils/\nq-e-qe-7.6/GUI/PWgui/sys_utils/bin.sh\nq-e-qe-7.6/GUI/PWgui/sys_utils/make.guib\nq-e-qe-7.6/GUI/PWgui/sys_utils/publish.sh\nq-e-qe-7.6/GUI/PWgui/sys_utils/repack.sh\nq-e-qe-7.6/GUI/PWgui/sys_utils/starkit.sh\nq-e-qe-7.6/GUI/PWgui/tests/\nq-e-qe-7.6/GUI/PWgui/tests/run-tests.sh\nq-e-qe-7.6/GUI/QE-modes/\nq-e-qe-7.6/GUI/QE-modes/Doc/\nq-e-qe-7.6/GUI/QE-modes/Doc/Makefile\nq-e-qe-7.6/GUI/QE-modes/Doc/highlight.png\nq-e-qe-7.6/GUI/QE-modes/Doc/insert-template.png\nq-e-qe-7.6/GUI/QE-modes/Doc/user_guide.pdf\nq-e-qe-7.6/GUI/QE-modes/Doc/user_guide.tex\nq-e-qe-7.6/GUI/QE-modes/Makefile\nq-e-qe-7.6/GUI/QE-modes/README\nq-e-qe-7.6/GUI/QE-modes/README.repository\nq-e-qe-7.6/GUI/QE-modes/THANKS\nq-e-qe-7.6/GUI/QE-modes/install.sh\nq-e-qe-7.6/GUI/QE-modes/qe-modes.emacs\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/README\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/autoload-specific.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/bands.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/card-noflags.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/card.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/cp.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/dos.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/dynmat.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/header.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/insert-template.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/ld1.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/namelist.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/neb.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/ph.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/pp.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/projwfc.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/pw.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/pwtk-mode.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-all-modes.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-all-modes.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-funcs.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-mode.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-modes.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/stringvar.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/supercard-open.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/supercard.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/var.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes/\nq-e-qe-7.6/GUI/QE-modes/qe-modes/cp-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/ld1-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/neb-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/ph-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/pp-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/pw-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/pwtk-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/qe-funcs.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/qe-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/qe-modes.el\nq-e-qe-7.6/GUI/README\nq-e-qe-7.6/GWW/\nq-e-qe-7.6/GWW/CMakeLists.txt\nq-e-qe-7.6/GWW/Makefile\nq-e-qe-7.6/GWW/bse/\nq-e-qe-7.6/GWW/bse/Makefile\nq-e-qe-7.6/GWW/bse/absorption.f90\nq-e-qe-7.6/GWW/bse/bse_basic_structure.f90\nq-e-qe-7.6/GWW/bse/bse_main.f90\nq-e-qe-7.6/GWW/bse/bse_wannier.f90\nq-e-qe-7.6/GWW/bse/cgsolve.f90\nq-e-qe-7.6/GWW/bse/check_basis.f90\nq-e-qe-7.6/GWW/bse/conj_grad_stuff.f90\nq-e-qe-7.6/GWW/bse/conjgrad.f90\nq-e-qe-7.6/GWW/bse/contract_w_exc.f90\nq-e-qe-7.6/GWW/bse/diago_exc.f90\nq-e-qe-7.6/GWW/bse/direct_v_exc.f90\nq-e-qe-7.6/GWW/bse/direct_w_exc.f90\nq-e-qe-7.6/GWW/bse/direct_www.f90\nq-e-qe-7.6/GWW/bse/dvpsi_bse.f90\nq-e-qe-7.6/GWW/bse/exc_h_a.f90\nq-e-qe-7.6/GWW/bse/exchange_exc.f90\nq-e-qe-7.6/GWW/bse/exciton.f90\nq-e-qe-7.6/GWW/bse/find_eig.f90\nq-e-qe-7.6/GWW/bse/h_h.f90\nq-e-qe-7.6/GWW/bse/lanczos.f90\nq-e-qe-7.6/GWW/bse/openfil_bse.f90\nq-e-qe-7.6/GWW/bse/plot_excwfn.f90\nq-e-qe-7.6/GWW/bse/print_bse.f90\nq-e-qe-7.6/GWW/bse/print_spectrum.f90\nq-e-qe-7.6/GWW/bse/qpcorrections.f90\nq-e-qe-7.6/GWW/bse/qpe_exc.f90\nq-e-qe-7.6/GWW/bse/read_export.f90\nq-e-qe-7.6/GWW/bse/rotate_wannier.f90\nq-e-qe-7.6/GWW/bse/sdescent.f90\nq-e-qe-7.6/GWW/bse/spectrum.f90\nq-e-qe-7.6/GWW/bse/start_bse.f90\nq-e-qe-7.6/GWW/bse/tmp.f90\nq-e-qe-7.6/GWW/bse/transitions.f90\nq-e-qe-7.6/GWW/bse/tspace.f90\nq-e-qe-7.6/GWW/bse/write_wannier_matrix.f90\nq-e-qe-7.6/GWW/doc/\nq-e-qe-7.6/GWW/doc/README\nq-e-qe-7.6/GWW/doc/make.sys_SCALAPACK\nq-e-qe-7.6/GWW/examples/\nq-e-qe-7.6/GWW/examples/README\nq-e-qe-7.6/GWW/examples/example01/\nq-e-qe-7.6/GWW/examples/example01/methane_gww.in\nq-e-qe-7.6/GWW/examples/example01/methane_gww_steps.in\nq-e-qe-7.6/GWW/examples/example01/methane_pw4gww.in\nq-e-qe-7.6/GWW/examples/example01/methane_pw4gww_basis.in\nq-e-qe-7.6/GWW/examples/example01/methane_pw4gww_steps.in\nq-e-qe-7.6/GWW/examples/example01/methane_scf.in\nq-e-qe-7.6/GWW/examples/example01/methane_scf_25.in\nq-e-qe-7.6/GWW/examples/example01/methane_scf_35.in\nq-e-qe-7.6/GWW/examples/example01/reference/\nq-e-qe-7.6/GWW/examples/example01/reference/methane_gww.out\nq-e-qe-7.6/GWW/examples/example01/reference/methane_pw4gww.out\nq-e-qe-7.6/GWW/examples/example01/reference/methane_scf.out\nq-e-qe-7.6/GWW/examples/example01/run_example\nq-e-qe-7.6/GWW/examples/example02/\nq-e-qe-7.6/GWW/examples/example02/reference/\nq-e-qe-7.6/GWW/examples/example02/reference/si_gww.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_head.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_nscf.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_pw4gww.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_scf_k.out\nq-e-qe-7.6/GWW/examples/example02/run_example\nq-e-qe-7.6/GWW/examples/example02/si_gww.in\nq-e-qe-7.6/GWW/examples/example02/si_head.in\nq-e-qe-7.6/GWW/examples/example02/si_nscf.in\nq-e-qe-7.6/GWW/examples/example02/si_pw4gww.in\nq-e-qe-7.6/GWW/examples/example02/si_pw4gww_planewaves.in\nq-e-qe-7.6/GWW/examples/example02/si_scf_k.in\nq-e-qe-7.6/GWW/examples/example03/\nq-e-qe-7.6/GWW/examples/example03/run_example\nq-e-qe-7.6/GWW/examples/example04/\nq-e-qe-7.6/GWW/examples/example04/Ag_ONCV_PBE-1.0.upf\nq-e-qe-7.6/GWW/examples/example04/README\nq-e-qe-7.6/GWW/examples/example04/reference/\nq-e-qe-7.6/GWW/examples/example04/reference/ag.dos_broadening.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eels.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_inter_im.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_inter_re.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_tot_im.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_tot_re.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.jdos.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.optical_constants.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag_nscf.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_nscf.out\nq-e-qe-7.6/GWW/examples/example04/reference/ag_scf.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_scf.out\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple.out\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple_ip.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple_ip.out\nq-e-qe-7.6/GWW/examples/example04/reference/pippo.txt\nq-e-qe-7.6/GWW/examples/example04/run_example\nq-e-qe-7.6/GWW/examples/example05/\nq-e-qe-7.6/GWW/examples/example05/reference/\nq-e-qe-7.6/GWW/examples/example05/reference/ab_coeff.dat\nq-e-qe-7.6/GWW/examples/example05/reference/abcoeff_to_eps.in\nq-e-qe-7.6/GWW/examples/example05/reference/abcoeff_to_eps.tmp\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps1x.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps1y.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps1z.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps2x.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps2y.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps2z.dat\nq-e-qe-7.6/GWW/examples/example05/reference/si_gww.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_gww.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_head.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_head.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf_k.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf_k.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_pw4gww.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_pw4gww.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_scf_k.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_scf_k.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple_bse.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple_bse.out\nq-e-qe-7.6/GWW/examples/example05/run_example\nq-e-qe-7.6/GWW/examples/example06/\nq-e-qe-7.6/GWW/examples/example06/reference/\nq-e-qe-7.6/GWW/examples/example06/reference/silane_bse.out\nq-e-qe-7.6/GWW/examples/example06/reference/silane_pw4gww.out\nq-e-qe-7.6/GWW/examples/example06/reference/silane_scf.out\nq-e-qe-7.6/GWW/examples/example06/run_example\nq-e-qe-7.6/GWW/gww/\nq-e-qe-7.6/GWW/gww/Makefile\nq-e-qe-7.6/GWW/gww/basic_structures.f90\nq-e-qe-7.6/GWW/gww/compact_product.f90\nq-e-qe-7.6/GWW/gww/contour.f90\nq-e-qe-7.6/GWW/gww/create_hf.f90\nq-e-qe-7.6/GWW/gww/create_quasi_particle.f90\nq-e-qe-7.6/GWW/gww/create_quasi_particle_off.f90\nq-e-qe-7.6/GWW/gww/do_contour.f90\nq-e-qe-7.6/GWW/gww/do_polarization_lanczos.f90\nq-e-qe-7.6/GWW/gww/do_self_lanczos.f90\nq-e-qe-7.6/GWW/gww/do_self_lanczos_full.f90\nq-e-qe-7.6/GWW/gww/do_self_lanczos_time.f90\nq-e-qe-7.6/GWW/gww/energies_gww.f90\nq-e-qe-7.6/GWW/gww/expansion.f90\nq-e-qe-7.6/GWW/gww/fft_gw.f90\nq-e-qe-7.6/GWW/gww/fit_multipole.f90\nq-e-qe-7.6/GWW/gww/fit_polynomial.f90\nq-e-qe-7.6/GWW/gww/go_dressed_w.f90\nq-e-qe-7.6/GWW/gww/go_exchange.f90\nq-e-qe-7.6/GWW/gww/go_fft.f90\nq-e-qe-7.6/GWW/gww/go_green.f90\nq-e-qe-7.6/GWW/gww/go_polarization.f90\nq-e-qe-7.6/GWW/gww/green_function.f90\nq-e-qe-7.6/GWW/gww/gv_time.f90\nq-e-qe-7.6/GWW/gww/gww.f90\nq-e-qe-7.6/GWW/gww/gww_fit.f90\nq-e-qe-7.6/GWW/gww/input_gw.f90\nq-e-qe-7.6/GWW/gww/lanczos_polarization.f90\nq-e-qe-7.6/GWW/gww/para_gww.f90\nq-e-qe-7.6/GWW/gww/polarization.f90\nq-e-qe-7.6/GWW/gww/read_data_pw.f90\nq-e-qe-7.6/GWW/gww/remainder.f90\nq-e-qe-7.6/GWW/gww/self_energy.f90\nq-e-qe-7.6/GWW/gww/self_energy_storage.f90\nq-e-qe-7.6/GWW/gww/start_end.f90\nq-e-qe-7.6/GWW/gww/times_gw.f90\nq-e-qe-7.6/GWW/gww/vcprim.f90\nq-e-qe-7.6/GWW/head/\nq-e-qe-7.6/GWW/head/Makefile\nq-e-qe-7.6/GWW/head/bcast_gwl_input.f90\nq-e-qe-7.6/GWW/head/close_gwl.f90\nq-e-qe-7.6/GWW/head/gwl_readin.f90\nq-e-qe-7.6/GWW/head/head.f90\nq-e-qe-7.6/GWW/head/lanczos_k.f90\nq-e-qe-7.6/GWW/head/openfilq_gwl.f90\nq-e-qe-7.6/GWW/head/solve_head.f90\nq-e-qe-7.6/GWW/minpack/\nq-e-qe-7.6/GWW/minpack/Makefile\nq-e-qe-7.6/GWW/minpack/dpmpar.f90\nq-e-qe-7.6/GWW/minpack/enorm.f90\nq-e-qe-7.6/GWW/minpack/fdjac2.f90\nq-e-qe-7.6/GWW/minpack/lmder.f90\nq-e-qe-7.6/GWW/minpack/lmder1.f90\nq-e-qe-7.6/GWW/minpack/lmdif.f90\nq-e-qe-7.6/GWW/minpack/lmdif1.f90\nq-e-qe-7.6/GWW/minpack/lmpar.f90\nq-e-qe-7.6/GWW/minpack/mlagzo.f90\nq-e-qe-7.6/GWW/minpack/mlegzo.f90\nq-e-qe-7.6/GWW/minpack/qrfac.f90\nq-e-qe-7.6/GWW/minpack/qrsolv.f90\nq-e-qe-7.6/GWW/minpack/test.f90\nq-e-qe-7.6/GWW/pw4gww/\nq-e-qe-7.6/GWW/pw4gww/Makefile\nq-e-qe-7.6/GWW/pw4gww/allocate_wannier.f90\nq-e-qe-7.6/GWW/pw4gww/calculate_wing.f90\nq-e-qe-7.6/GWW/pw4gww/cgsolve_all_gamma.f90\nq-e-qe-7.6/GWW/pw4gww/contour_terms.f90\nq-e-qe-7.6/GWW/pw4gww/convergence.f90\nq-e-qe-7.6/GWW/pw4gww/dft_exchange.f90\nq-e-qe-7.6/GWW/pw4gww/diago_cg.f90\nq-e-qe-7.6/GWW/pw4gww/diago_cg_g.f90\nq-e-qe-7.6/GWW/pw4gww/easy_gw.f90\nq-e-qe-7.6/GWW/pw4gww/energies_xc.f90\nq-e-qe-7.6/GWW/pw4gww/exchange_custom.f90\nq-e-qe-7.6/GWW/pw4gww/fake_conduction.f90\nq-e-qe-7.6/GWW/pw4gww/fft_custom.f90\nq-e-qe-7.6/GWW/pw4gww/full.f90\nq-e-qe-7.6/GWW/pw4gww/gww_realus.f90\nq-e-qe-7.6/GWW/pw4gww/hpsi_pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/lanczos_chains.f90\nq-e-qe-7.6/GWW/pw4gww/matrix_wannier_gamma.f90\nq-e-qe-7.6/GWW/pw4gww/mp_wave_parallel.f90\nq-e-qe-7.6/GWW/pw4gww/o_1psi.f90\nq-e-qe-7.6/GWW/pw4gww/o_bands.f90\nq-e-qe-7.6/GWW/pw4gww/o_rinitcgg.f90\nq-e-qe-7.6/GWW/pw4gww/openfil_pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/operator_1_vp.f90\nq-e-qe-7.6/GWW/pw4gww/operator_debug.f90\nq-e-qe-7.6/GWW/pw4gww/optimal.f90\nq-e-qe-7.6/GWW/pw4gww/pola_lanczos.f90\nq-e-qe-7.6/GWW/pw4gww/pola_partial.f90\nq-e-qe-7.6/GWW/pw4gww/produce_wannier_gamma.f90\nq-e-qe-7.6/GWW/pw4gww/pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/rotate_wannier.f90\nq-e-qe-7.6/GWW/pw4gww/self_lanczos.f90\nq-e-qe-7.6/GWW/pw4gww/semicore.f90\nq-e-qe-7.6/GWW/pw4gww/semicore_read.f90\nq-e-qe-7.6/GWW/pw4gww/start_pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/stop_pp.f90\nq-e-qe-7.6/GWW/pw4gww/v_basis.f90\nq-e-qe-7.6/GWW/pw4gww/wannier.f90\nq-e-qe-7.6/GWW/pw4gww/wannier_bse.f90\nq-e-qe-7.6/GWW/pw4gww/wannier_uterms.f90\nq-e-qe-7.6/GWW/pw4gww/wfc_real.f90\nq-e-qe-7.6/GWW/pw4gww/write_vpot_matrix.f90\nq-e-qe-7.6/GWW/pw4gww/write_wannier_matrix.f90\nq-e-qe-7.6/GWW/simple/\nq-e-qe-7.6/GWW/simple/Makefile\nq-e-qe-7.6/GWW/simple/commutator.f90\nq-e-qe-7.6/GWW/simple/epe.f90\nq-e-qe-7.6/GWW/simple/gk_sort_limit.f90\nq-e-qe-7.6/GWW/simple/input_simple.f90\nq-e-qe-7.6/GWW/simple/khamiltonian.f90\nq-e-qe-7.6/GWW/simple/openfile_simple.f90\nq-e-qe-7.6/GWW/simple/product_basis.f90\nq-e-qe-7.6/GWW/simple/read_export.f90\nq-e-qe-7.6/GWW/simple/simple.f90\nq-e-qe-7.6/GWW/simple/stop_pp.f90\nq-e-qe-7.6/GWW/simple/v_product.f90\nq-e-qe-7.6/GWW/simple/wfc_basis.f90\nq-e-qe-7.6/GWW/simple_bse/\nq-e-qe-7.6/GWW/simple_bse/Makefile\nq-e-qe-7.6/GWW/simple_bse/build_eemat.f90\nq-e-qe-7.6/GWW/simple_bse/derived_object.f90\nq-e-qe-7.6/GWW/simple_bse/diago_exc_cg.f90\nq-e-qe-7.6/GWW/simple_bse/diago_exc_sd.f90\nq-e-qe-7.6/GWW/simple_bse/hamiltonian.f90\nq-e-qe-7.6/GWW/simple_bse/input_simple_exc.f90\nq-e-qe-7.6/GWW/simple_bse/lanczos.f90\nq-e-qe-7.6/GWW/simple_bse/simple_bse.f90\nq-e-qe-7.6/GWW/simple_bse/simple_eigen.f90\nq-e-qe-7.6/GWW/simple_bse/simple_object.f90\nq-e-qe-7.6/GWW/simple_bse/spectrum.f90\nq-e-qe-7.6/GWW/simple_bse/start_end.f90\nq-e-qe-7.6/GWW/simple_ip/\nq-e-qe-7.6/GWW/simple_ip/Makefile\nq-e-qe-7.6/GWW/simple_ip/diagonalization.f90\nq-e-qe-7.6/GWW/simple_ip/dielectric.f90\nq-e-qe-7.6/GWW/simple_ip/input_simple_ip.f90\nq-e-qe-7.6/GWW/simple_ip/interpolation.f90\nq-e-qe-7.6/GWW/simple_ip/simple_ip.f90\nq-e-qe-7.6/GWW/simple_ip/simple_ip_objects.f90\nq-e-qe-7.6/GWW/simple_ip/start_end.f90\nq-e-qe-7.6/GWW/simple_ip/tetra_mod1.f90\nq-e-qe-7.6/GWW/simple_ip/tetra_mod2.f90\nq-e-qe-7.6/GWW/util/\nq-e-qe-7.6/GWW/util/Makefile\nq-e-qe-7.6/GWW/util/abcoeff_to_eps.f90\nq-e-qe-7.6/GWW/util/graph.f90\nq-e-qe-7.6/GWW/util/memory_pw4gww.f90\nq-e-qe-7.6/HP/\nq-e-qe-7.6/HP/CMakeLists.txt\nq-e-qe-7.6/HP/Doc/\nq-e-qe-7.6/HP/Doc/INPUT_HP.def\nq-e-qe-7.6/HP/Doc/Makefile\nq-e-qe-7.6/HP/Doc/README\nq-e-qe-7.6/HP/Makefile\nq-e-qe-7.6/HP/examples/\nq-e-qe-7.6/HP/examples/README\nq-e-qe-7.6/HP/examples/clean_all\nq-e-qe-7.6/HP/examples/example01/\nq-e-qe-7.6/HP/examples/example01/reference/\nq-e-qe-7.6/HP/examples/example01/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example01/reference/LiCoO2.hp.in\nq-e-qe-7.6/HP/examples/example01/reference/LiCoO2.scf.in\nq-e-qe-7.6/HP/examples/example01/run_example\nq-e-qe-7.6/HP/examples/example02/\nq-e-qe-7.6/HP/examples/example02/README\nq-e-qe-7.6/HP/examples/example02/reference/\nq-e-qe-7.6/HP/examples/example02/reference/NiO.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example02/reference/NiO.hp.in\nq-e-qe-7.6/HP/examples/example02/reference/NiO.scf1.in\nq-e-qe-7.6/HP/examples/example02/reference/NiO.scf2.in\nq-e-qe-7.6/HP/examples/example02/run_example1\nq-e-qe-7.6/HP/examples/example02/run_example2\nq-e-qe-7.6/HP/examples/example03/\nq-e-qe-7.6/HP/examples/example03/reference/\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.hp.in\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.scf1.in\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.scf2.in\nq-e-qe-7.6/HP/examples/example03/run_example\nq-e-qe-7.6/HP/examples/example04/\nq-e-qe-7.6/HP/examples/example04/reference/\nq-e-qe-7.6/HP/examples/example04/reference/Ni.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example04/reference/Ni.hp.in\nq-e-qe-7.6/HP/examples/example04/reference/Ni.scf.in\nq-e-qe-7.6/HP/examples/example04/run_example\nq-e-qe-7.6/HP/examples/example05/\nq-e-qe-7.6/HP/examples/example05/reference/\nq-e-qe-7.6/HP/examples/example05/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example05/reference/LiCoO2.hp.in\nq-e-qe-7.6/HP/examples/example05/reference/LiCoO2.scf.in\nq-e-qe-7.6/HP/examples/example05/run_example\nq-e-qe-7.6/HP/examples/example06/\nq-e-qe-7.6/HP/examples/example06/reference/\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.hp.Mn.in\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.hp.Ni.in\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.hp.final.in\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.scf.in\nq-e-qe-7.6/HP/examples/example06/run_example\nq-e-qe-7.6/HP/examples/example07/\nq-e-qe-7.6/HP/examples/example07/reference/\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step1.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step2.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step3.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step1.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step2.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step3.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.final.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.scf.in\nq-e-qe-7.6/HP/examples/example07/run_example\nq-e-qe-7.6/HP/examples/example08/\nq-e-qe-7.6/HP/examples/example08/reference/\nq-e-qe-7.6/HP/examples/example08/reference/NiO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example08/reference/NiO2.hp.in\nq-e-qe-7.6/HP/examples/example08/reference/NiO2.scf.in\nq-e-qe-7.6/HP/examples/example08/run_example\nq-e-qe-7.6/HP/examples/example09/\nq-e-qe-7.6/HP/examples/example09/reference/\nq-e-qe-7.6/HP/examples/example09/reference/CoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example09/reference/CoO2.hp.in\nq-e-qe-7.6/HP/examples/example09/reference/CoO2.scf.in\nq-e-qe-7.6/HP/examples/example09/run_example\nq-e-qe-7.6/HP/examples/example10/\nq-e-qe-7.6/HP/examples/example10/reference/\nq-e-qe-7.6/HP/examples/example10/reference/HUBBARD.dat\nq-e-qe-7.6/HP/examples/example10/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example10/reference/LiCoO2.hp.in\nq-e-qe-7.6/HP/examples/example10/reference/LiCoO2.scf.in\nq-e-qe-7.6/HP/examples/example10/run_example\nq-e-qe-7.6/HP/examples/run_all_examples\nq-e-qe-7.6/HP/src/\nq-e-qe-7.6/HP/src/Makefile\nq-e-qe-7.6/HP/src/hp_R_points.f90\nq-e-qe-7.6/HP/src/hp_allocate_q.f90\nq-e-qe-7.6/HP/src/hp_bcast_input.f90\nq-e-qe-7.6/HP/src/hp_calc_chi.f90\nq-e-qe-7.6/HP/src/hp_check_pert.f90\nq-e-qe-7.6/HP/src/hp_check_type.f90\nq-e-qe-7.6/HP/src/hp_clean_q.f90\nq-e-qe-7.6/HP/src/hp_close_q.f90\nq-e-qe-7.6/HP/src/hp_dealloc_1.f90\nq-e-qe-7.6/HP/src/hp_dealloc_2.f90\nq-e-qe-7.6/HP/src/hp_dealloc_q.f90\nq-e-qe-7.6/HP/src/hp_dnsq.f90\nq-e-qe-7.6/HP/src/hp_dnstot_sum_q.f90\nq-e-qe-7.6/HP/src/hp_dvpsi_pert.f90\nq-e-qe-7.6/HP/src/hp_find_inequiv_sites.f90\nq-e-qe-7.6/HP/src/hp_generate_grids.f90\nq-e-qe-7.6/HP/src/hp_init.f90\nq-e-qe-7.6/HP/src/hp_init_q.f90\nq-e-qe-7.6/HP/src/hp_load_q.f90\nq-e-qe-7.6/HP/src/hp_main.f90\nq-e-qe-7.6/HP/src/hp_ns_trace.f90\nq-e-qe-7.6/HP/src/hp_openfil_q.f90\nq-e-qe-7.6/HP/src/hp_postproc.f90\nq-e-qe-7.6/HP/src/hp_prepare_q.f90\nq-e-qe-7.6/HP/src/hp_print_clock.f90\nq-e-qe-7.6/HP/src/hp_psym_dmag.f90\nq-e-qe-7.6/HP/src/hp_psymdvscf.f90\nq-e-qe-7.6/HP/src/hp_q_points.f90\nq-e-qe-7.6/HP/src/hp_read_chi.f90\nq-e-qe-7.6/HP/src/hp_read_dnsq.f90\nq-e-qe-7.6/HP/src/hp_readin.f90\nq-e-qe-7.6/HP/src/hp_rotate_dnsq.f90\nq-e-qe-7.6/HP/src/hp_run_nscf.f90\nq-e-qe-7.6/HP/src/hp_setup_q.f90\nq-e-qe-7.6/HP/src/hp_solve_linear_system.f90\nq-e-qe-7.6/HP/src/hp_stop_smoothly.f90\nq-e-qe-7.6/HP/src/hp_summary.f90\nq-e-qe-7.6/HP/src/hp_summary_q.f90\nq-e-qe-7.6/HP/src/hp_sym_dmag.f90\nq-e-qe-7.6/HP/src/hp_symdnsq.f90\nq-e-qe-7.6/HP/src/hp_symdvscf.f90\nq-e-qe-7.6/HP/src/hp_write_chi.f90\nq-e-qe-7.6/HP/src/hp_write_chi_full.f90\nq-e-qe-7.6/HP/src/hp_write_dnsq.f90\nq-e-qe-7.6/HP/src/hpcom.f90\nq-e-qe-7.6/KCW/\nq-e-qe-7.6/KCW/CMakeLists.txt\nq-e-qe-7.6/KCW/Doc/\nq-e-qe-7.6/KCW/Doc/INPUT_kcw.def\nq-e-qe-7.6/KCW/Doc/Makefile\nq-e-qe-7.6/KCW/Doc/input_xx.xsl\nq-e-qe-7.6/KCW/Makefile\nq-e-qe-7.6/KCW/PP/\nq-e-qe-7.6/KCW/PP/CMakeLists.txt\nq-e-qe-7.6/KCW/PP/Makefile\nq-e-qe-7.6/KCW/PP/bcast_kcw_pp_input.f90\nq-e-qe-7.6/KCW/PP/compute_self_hartree.f90\nq-e-qe-7.6/KCW/PP/input_pp_summary.f90\nq-e-qe-7.6/KCW/PP/interp_r_to_k.f90\nq-e-qe-7.6/KCW/PP/kcw_bands.f90\nq-e-qe-7.6/KCW/PP/kcw_pp_readin.f90\nq-e-qe-7.6/KCW/PP/makedeps.sh\nq-e-qe-7.6/KCW/PP/merge_Umat.f90\nq-e-qe-7.6/KCW/PP/merge_wann.f90\nq-e-qe-7.6/KCW/PP/read_hr.f90\nq-e-qe-7.6/KCW/PP/sh_setup.f90\nq-e-qe-7.6/KCW/PP/ups.f90\nq-e-qe-7.6/KCW/diff_7.2-7.1.txt\nq-e-qe-7.6/KCW/diff_wrt_v7.1.txt\nq-e-qe-7.6/KCW/examples/\nq-e-qe-7.6/KCW/examples/.gitignore\nq-e-qe-7.6/KCW/examples/example01/\nq-e-qe-7.6/KCW/examples/example01/README\nq-e-qe-7.6/KCW/examples/example01/compare.sh\nq-e-qe-7.6/KCW/examples/example01/reference/\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example01/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example01/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example01/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example01/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example01/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example01/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example01/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example01/run_example\nq-e-qe-7.6/KCW/examples/example01_sym/\nq-e-qe-7.6/KCW/examples/example01_sym/README\nq-e-qe-7.6/KCW/examples/example01_sym/compare.sh\nq-e-qe-7.6/KCW/examples/example01_sym/compare_nosym.sh\nq-e-qe-7.6/KCW/examples/example01_sym/reference/\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example01_sym/run_example\nq-e-qe-7.6/KCW/examples/example02/\nq-e-qe-7.6/KCW/examples/example02/README\nq-e-qe-7.6/KCW/examples/example02/compare.sh\nq-e-qe-7.6/KCW/examples/example02/reference/\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.scf.out\nq-e-qe-7.6/KCW/examples/example02/run_example\nq-e-qe-7.6/KCW/examples/example03/\nq-e-qe-7.6/KCW/examples/example03/compare.sh\nq-e-qe-7.6/KCW/examples/example03/reference/\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcwpp_bands.dat\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcwpp_interp.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcwpp_sh.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example03/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example03/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example03/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example03/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example03/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example03/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example03/run_example\nq-e-qe-7.6/KCW/examples/example04/\nq-e-qe-7.6/KCW/examples/example04/README\nq-e-qe-7.6/KCW/examples/example04/compare.sh\nq-e-qe-7.6/KCW/examples/example04/reference/\nq-e-qe-7.6/KCW/examples/example04/reference/GaAs.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example04/reference/GaAs.nscf.out\nq-e-qe-7.6/KCW/examples/example04/reference/GaAs.scf.out\nq-e-qe-7.6/KCW/examples/example04/reference/kc.kho\nq-e-qe-7.6/KCW/examples/example04/reference/kc.w2ko\nq-e-qe-7.6/KCW/examples/example04/reference/merge_U.out\nq-e-qe-7.6/KCW/examples/example04/reference/merge_centres.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_u.mat\nq-e-qe-7.6/KCW/examples/example04/reference_1block/\nq-e-qe-7.6/KCW/examples/example04/reference_1block/GaAs.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example04/reference_1block/GaAs.nscf.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/GaAs.scf.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/kc.kho\nq-e-qe-7.6/KCW/examples/example04/reference_1block/kc.w2ko\nq-e-qe-7.6/KCW/examples/example04/reference_1block/merge_U.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/merge_centres.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_u.mat\nq-e-qe-7.6/KCW/examples/example04/run_example\nq-e-qe-7.6/KCW/examples/example04/run_example_1block\nq-e-qe-7.6/KCW/examples/example05.1/\nq-e-qe-7.6/KCW/examples/example05.1/README.md\nq-e-qe-7.6/KCW/examples/example05.1/clean_all.sh\nq-e-qe-7.6/KCW/examples/example05.1/compare.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/CRASH\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/CRASH\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/.kc.w2ko.swp\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/pseudo/\nq-e-qe-7.6/KCW/examples/example05.1/pseudo/Si.upf\nq-e-qe-7.6/KCW/examples/example05.1/pseudo/Si_r.upf\nq-e-qe-7.6/KCW/examples/example05.1/run_all.sh\nq-e-qe-7.6/KCW/examples/example05/\nq-e-qe-7.6/KCW/examples/example05/compare.sh\nq-e-qe-7.6/KCW/examples/example05/reference/\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example05/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example05/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example05/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example05/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example05/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example05/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example05/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example05/run_example\nq-e-qe-7.6/KCW/examples/example06/\nq-e-qe-7.6/KCW/examples/example06/README\nq-e-qe-7.6/KCW/examples/example06/compare.sh\nq-e-qe-7.6/KCW/examples/example06/reference/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/file_alpharef.txt\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_U.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_U_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_centre.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_centre_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_emp_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_emp_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/cri3.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/cri3.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/cri3.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/file_alpharef.txt\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_U.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_U_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_centre.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_centre_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_emp_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_emp_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/cri3.scf.out\nq-e-qe-7.6/KCW/examples/example06/run_example\nq-e-qe-7.6/KCW/examples/run_all.sh\nq-e-qe-7.6/KCW/examples/test_io/\nq-e-qe-7.6/KCW/examples/test_io/README\nq-e-qe-7.6/KCW/examples/test_io/example01/\nq-e-qe-7.6/KCW/examples/test_io/example01/compare.sh\nq-e-qe-7.6/KCW/examples/test_io/example01/run_example\nq-e-qe-7.6/KCW/examples/test_io/example02/\nq-e-qe-7.6/KCW/examples/test_io/example02/compare.sh\nq-e-qe-7.6/KCW/examples/test_io/example02/run_example\nq-e-qe-7.6/KCW/examples/test_io/example03/\nq-e-qe-7.6/KCW/examples/test_io/example03/compare.sh\nq-e-qe-7.6/KCW/examples/test_io/example03/run_example\nq-e-qe-7.6/KCW/examples/test_io/run_all.sh\nq-e-qe-7.6/KCW/kcw.md\nq-e-qe-7.6/KCW/src/\nq-e-qe-7.6/KCW/src/CMakeLists.txt\nq-e-qe-7.6/KCW/src/Makefile\nq-e-qe-7.6/KCW/src/alpha_corr.f90\nq-e-qe-7.6/KCW/src/apply_u_matrix.f90\nq-e-qe-7.6/KCW/src/bare_pot.f90\nq-e-qe-7.6/KCW/src/bcast_kcw_input.f90\nq-e-qe-7.6/KCW/src/bcast_wfc.f90\nq-e-qe-7.6/KCW/src/calculate_phase.f90\nq-e-qe-7.6/KCW/src/clean_pw_kcw.f90\nq-e-qe-7.6/KCW/src/close_kcw.f90\nq-e-qe-7.6/KCW/src/compute_map_ikq.f90\nq-e-qe-7.6/KCW/src/compute_map_ikq_single.f90\nq-e-qe-7.6/KCW/src/convert_kpts_names.f90\nq-e-qe-7.6/KCW/src/coulomb.f90\nq-e-qe-7.6/KCW/src/find_IBZ_q.f90\nq-e-qe-7.6/KCW/src/full_ham.f90\nq-e-qe-7.6/KCW/src/group_orbitals.f90\nq-e-qe-7.6/KCW/src/ham_R0_2nd.f90\nq-e-qe-7.6/KCW/src/hamilt.f90\nq-e-qe-7.6/KCW/src/input_summary.f90\nq-e-qe-7.6/KCW/src/interpolation.f90\nq-e-qe-7.6/KCW/src/kcw.f90\nq-e-qe-7.6/KCW/src/kcw_R_points.f90\nq-e-qe-7.6/KCW/src/kcw_allocate_q.f90\nq-e-qe-7.6/KCW/src/kcw_comm.f90\nq-e-qe-7.6/KCW/src/kcw_deallocate_q.f90\nq-e-qe-7.6/KCW/src/kcw_deallocate_symmetry_arrays.f90\nq-e-qe-7.6/KCW/src/kcw_ham.f90\nq-e-qe-7.6/KCW/src/kcw_init_q.f90\nq-e-qe-7.6/KCW/src/kcw_initialize_ph.f90\nq-e-qe-7.6/KCW/src/kcw_io_new.f90\nq-e-qe-7.6/KCW/src/kcw_kpoint_grid.f90\nq-e-qe-7.6/KCW/src/kcw_openfilq.f90\nq-e-qe-7.6/KCW/src/kcw_prepare_q.f90\nq-e-qe-7.6/KCW/src/kcw_q_setup.f90\nq-e-qe-7.6/KCW/src/kcw_read_sym.f90\nq-e-qe-7.6/KCW/src/kcw_readin.f90\nq-e-qe-7.6/KCW/src/kcw_run_nscf.f90\nq-e-qe-7.6/KCW/src/kcw_screen.f90\nq-e-qe-7.6/KCW/src/kcw_setup.f90\nq-e-qe-7.6/KCW/src/kcw_setup_ham.f90\nq-e-qe-7.6/KCW/src/kcw_setup_screen.f90\nq-e-qe-7.6/KCW/src/kcw_write_sym.f90\nq-e-qe-7.6/KCW/src/koopmans_ham.f90\nq-e-qe-7.6/KCW/src/ks_hamiltonian.f90\nq-e-qe-7.6/KCW/src/makedeps.sh\nq-e-qe-7.6/KCW/src/print_clock_kcw.f90\nq-e-qe-7.6/KCW/src/read_alpha.f90\nq-e-qe-7.6/KCW/src/read_qlist_ibz.f90\nq-e-qe-7.6/KCW/src/read_wannier.f90\nq-e-qe-7.6/KCW/src/rho_of_q.f90\nq-e-qe-7.6/KCW/src/rotate_ks.f90\nq-e-qe-7.6/KCW/src/screen_coeff.f90\nq-e-qe-7.6/KCW/src/self_hartree.f90\nq-e-qe-7.6/KCW/src/setup_coulomb.f90\nq-e-qe-7.6/KCW/src/setup_coulomb_exx.f90\nq-e-qe-7.6/KCW/src/solve_linter_koop_mod.f90\nq-e-qe-7.6/KCW/src/structure_factor.f90\nq-e-qe-7.6/KCW/src/wann2kcw.f90\nq-e-qe-7.6/KCW/src/write_hr_to_file.f90\nq-e-qe-7.6/KCW/src/write_qlist_ibz.f90\nq-e-qe-7.6/KS_Solvers/\nq-e-qe-7.6/KS_Solvers/CG/\nq-e-qe-7.6/KS_Solvers/CG/Makefile\nq-e-qe-7.6/KS_Solvers/CG/ccgdiagg.f90\nq-e-qe-7.6/KS_Solvers/CG/rcgdiagg.f90\nq-e-qe-7.6/KS_Solvers/CMakeLists.txt\nq-e-qe-7.6/KS_Solvers/DENSE/\nq-e-qe-7.6/KS_Solvers/DENSE/Makefile\nq-e-qe-7.6/KS_Solvers/DENSE/gram_schmidt_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/gram_schmidt_k.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_HSpsi_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_HSpsi_k.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_driver.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_wfc_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_wfc_k.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_xpsi_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_xpsi_k.f90\nq-e-qe-7.6/KS_Solvers/Davidson/\nq-e-qe-7.6/KS_Solvers/Davidson/Makefile\nq-e-qe-7.6/KS_Solvers/Davidson/cegterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson/pcegterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson/pregterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson/regterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson_RCI/\nq-e-qe-7.6/KS_Solvers/Davidson_RCI/Makefile\nq-e-qe-7.6/KS_Solvers/Davidson_RCI/david_rci.f90\nq-e-qe-7.6/KS_Solvers/Direct/\nq-e-qe-7.6/KS_Solvers/Direct/Makefile\nq-e-qe-7.6/KS_Solvers/Direct/direct_diag_k.f90\nq-e-qe-7.6/KS_Solvers/Makefile\nq-e-qe-7.6/KS_Solvers/ParO/\nq-e-qe-7.6/KS_Solvers/ParO/Makefile\nq-e-qe-7.6/KS_Solvers/ParO/bpcg_gamma.f90\nq-e-qe-7.6/KS_Solvers/ParO/bpcg_k.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_gamma.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_gamma_new.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_k.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_k_new.f90\nq-e-qe-7.6/KS_Solvers/ParO/pcg_gamma.f90\nq-e-qe-7.6/KS_Solvers/ParO/pcg_k.f90\nq-e-qe-7.6/KS_Solvers/RMM/\nq-e-qe-7.6/KS_Solvers/RMM/Makefile\nq-e-qe-7.6/KS_Solvers/RMM/crmmdiagg.f90\nq-e-qe-7.6/KS_Solvers/RMM/rrmmdiagg.f90\nq-e-qe-7.6/KS_Solvers/ks_solver_interfaces.h\nq-e-qe-7.6/LAXlib/\nq-e-qe-7.6/LAXlib/CMakeLists.txt\nq-e-qe-7.6/LAXlib/Makefile\nq-e-qe-7.6/LAXlib/README.TEST\nq-e-qe-7.6/LAXlib/cdiagh.f90\nq-e-qe-7.6/LAXlib/cdiaghg.f90\nq-e-qe-7.6/LAXlib/distools.f90\nq-e-qe-7.6/LAXlib/dspev_drv.f90\nq-e-qe-7.6/LAXlib/la_error.f90\nq-e-qe-7.6/LAXlib/la_helper.f90\nq-e-qe-7.6/LAXlib/la_module.f90\nq-e-qe-7.6/LAXlib/la_param.f90\nq-e-qe-7.6/LAXlib/la_types.f90\nq-e-qe-7.6/LAXlib/laxlib.h\nq-e-qe-7.6/LAXlib/laxlib_hi.h\nq-e-qe-7.6/LAXlib/laxlib_kinds.h\nq-e-qe-7.6/LAXlib/laxlib_low.h\nq-e-qe-7.6/LAXlib/laxlib_mid.h\nq-e-qe-7.6/LAXlib/laxlib_param.h\nq-e-qe-7.6/LAXlib/mp_diag.f90\nq-e-qe-7.6/LAXlib/ptoolkit.f90\nq-e-qe-7.6/LAXlib/rdiagh.f90\nq-e-qe-7.6/LAXlib/rdiaghg.f90\nq-e-qe-7.6/LAXlib/test.f90\nq-e-qe-7.6/LAXlib/tests/\nq-e-qe-7.6/LAXlib/tests/.gitattributes\nq-e-qe-7.6/LAXlib/tests/CMakeLists.txt\nq-e-qe-7.6/LAXlib/tests/Makefile\nq-e-qe-7.6/LAXlib/tests/README.md\nq-e-qe-7.6/LAXlib/tests/ZnOG1.bin\nq-e-qe-7.6/LAXlib/tests/ZnOG2.bin\nq-e-qe-7.6/LAXlib/tests/ZnOK1.bin\nq-e-qe-7.6/LAXlib/tests/ZnOK2.bin\nq-e-qe-7.6/LAXlib/tests/mp_world.f90\nq-e-qe-7.6/LAXlib/tests/test_diagh_1.f90\nq-e-qe-7.6/LAXlib/tests/test_diagh_2.f90\nq-e-qe-7.6/LAXlib/tests/test_diagh_4.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_1.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_2.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_3.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_4.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_1.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_2.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_3.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_4.f90\nq-e-qe-7.6/LAXlib/tests/test_helpers.f90\nq-e-qe-7.6/LAXlib/tests/test_io.f90\nq-e-qe-7.6/LAXlib/tests/test_lapack_zdotc.f90\nq-e-qe-7.6/LAXlib/tests/tester.f90\nq-e-qe-7.6/LAXlib/tests/utils.f90\nq-e-qe-7.6/LAXlib/transto.f90\nq-e-qe-7.6/LAXlib/zhpev_drv.f90\nq-e-qe-7.6/LR_Modules/\nq-e-qe-7.6/LR_Modules/CMakeLists.txt\nq-e-qe-7.6/LR_Modules/Coul_cut_2D_ph.f90\nq-e-qe-7.6/LR_Modules/Makefile\nq-e-qe-7.6/LR_Modules/adddvepsi_us.f90\nq-e-qe-7.6/LR_Modules/adddvhubscf.f90\nq-e-qe-7.6/LR_Modules/adddvscf.f90\nq-e-qe-7.6/LR_Modules/addusdbec.f90\nq-e-qe-7.6/LR_Modules/addusdbec_nc.f90\nq-e-qe-7.6/LR_Modules/addusldos.f90\nq-e-qe-7.6/LR_Modules/apply_dpot.f90\nq-e-qe-7.6/LR_Modules/apply_dpot_mod.f90\nq-e-qe-7.6/LR_Modules/apply_trev.f90\nq-e-qe-7.6/LR_Modules/c_bands_ph.f90\nq-e-qe-7.6/LR_Modules/ccg_psi.f90\nq-e-qe-7.6/LR_Modules/ccgsolve_all.f90\nq-e-qe-7.6/LR_Modules/cft_wave.f90\nq-e-qe-7.6/LR_Modules/cg_psi.f90\nq-e-qe-7.6/LR_Modules/cgsolve_all.f90\nq-e-qe-7.6/LR_Modules/ch_psi_all.f90\nq-e-qe-7.6/LR_Modules/ch_psi_all_complex.f90\nq-e-qe-7.6/LR_Modules/check_q_points_sym.f90\nq-e-qe-7.6/LR_Modules/compute_vsgga.f90\nq-e-qe-7.6/LR_Modules/dfpt_kernels.f90\nq-e-qe-7.6/LR_Modules/dfpt_tetra_mod.f90\nq-e-qe-7.6/LR_Modules/dfpt_type.f90\nq-e-qe-7.6/LR_Modules/dgradcorr.f90\nq-e-qe-7.6/LR_Modules/dnonloccorr.f90\nq-e-qe-7.6/LR_Modules/dnsq_scf.f90\nq-e-qe-7.6/LR_Modules/dv_of_drho.f90\nq-e-qe-7.6/LR_Modules/dv_rVV10.f90\nq-e-qe-7.6/LR_Modules/dv_vdW_DF.f90\nq-e-qe-7.6/LR_Modules/dynmat_sub.f90\nq-e-qe-7.6/LR_Modules/efermi_shift.f90\nq-e-qe-7.6/LR_Modules/h_prec.f90\nq-e-qe-7.6/LR_Modules/h_prec_freq.f90\nq-e-qe-7.6/LR_Modules/incdrhoscf_mod.f90\nq-e-qe-7.6/LR_Modules/lanczos_nonhermitian.f90\nq-e-qe-7.6/LR_Modules/lanczos_nonhermitian_c.f90\nq-e-qe-7.6/LR_Modules/lanczos_pseudohermitian.f90\nq-e-qe-7.6/LR_Modules/lanczos_pseudohermitian_c.f90\nq-e-qe-7.6/LR_Modules/localdos.f90\nq-e-qe-7.6/LR_Modules/lr_addusddens.f90\nq-e-qe-7.6/LR_Modules/lr_dot.f90\nq-e-qe-7.6/LR_Modules/lr_dot_magnons.f90\nq-e-qe-7.6/LR_Modules/lr_nc_mag.f90\nq-e-qe-7.6/LR_Modules/lr_orthoUwfc.f90\nq-e-qe-7.6/LR_Modules/lr_restart.f90\nq-e-qe-7.6/LR_Modules/lr_sm1_psi.f90\nq-e-qe-7.6/LR_Modules/lr_sym_mod.f90\nq-e-qe-7.6/LR_Modules/lr_sym_paw.f90\nq-e-qe-7.6/LR_Modules/lr_two_chem.f90\nq-e-qe-7.6/LR_Modules/lrcom.f90\nq-e-qe-7.6/LR_Modules/mix_pot.f90\nq-e-qe-7.6/LR_Modules/mode_group.f90\nq-e-qe-7.6/LR_Modules/newdq.f90\nq-e-qe-7.6/LR_Modules/non_scf_ph.f90\nq-e-qe-7.6/LR_Modules/orthogonalize.f90\nq-e-qe-7.6/LR_Modules/orthogonalize_omega.f90\nq-e-qe-7.6/LR_Modules/psymdvscf.f90\nq-e-qe-7.6/LR_Modules/qdipol_cryst.f90\nq-e-qe-7.6/LR_Modules/qpoint.f90\nq-e-qe-7.6/LR_Modules/response_kernels.f90\nq-e-qe-7.6/LR_Modules/set_dbecsum_nc.f90\nq-e-qe-7.6/LR_Modules/set_int3_nc.f90\nq-e-qe-7.6/LR_Modules/set_intq_nc.f90\nq-e-qe-7.6/LR_Modules/set_kplusq_nc.f90\nq-e-qe-7.6/LR_Modules/set_small_group_of_q.f90\nq-e-qe-7.6/LR_Modules/setqmod.f90\nq-e-qe-7.6/LR_Modules/setup_alpha_pv.f90\nq-e-qe-7.6/LR_Modules/setup_dgc.f90\nq-e-qe-7.6/LR_Modules/setup_dmuxc.f90\nq-e-qe-7.6/LR_Modules/setup_nbnd_occ.f90\nq-e-qe-7.6/LR_Modules/setup_nscf.f90\nq-e-qe-7.6/LR_Modules/sgam_lr.f90\nq-e-qe-7.6/LR_Modules/smallgq.f90\nq-e-qe-7.6/LR_Modules/star_q.f90\nq-e-qe-7.6/LR_Modules/sym_def.f90\nq-e-qe-7.6/LR_Modules/sym_dmag.f90\nq-e-qe-7.6/LR_Modules/sym_dns.f90\nq-e-qe-7.6/LR_Modules/symdvscf.f90\nq-e-qe-7.6/LR_Modules/twochem_postproc_dfpt.f90\nq-e-qe-7.6/License\nq-e-qe-7.6/Makefile\nq-e-qe-7.6/Modules/\nq-e-qe-7.6/Modules/CMakeLists.txt\nq-e-qe-7.6/Modules/Makefile\nq-e-qe-7.6/Modules/additional_kpoints.f90\nq-e-qe-7.6/Modules/allocate_fft_3drism.f90\nq-e-qe-7.6/Modules/atom_weight.f90\nq-e-qe-7.6/Modules/atomic_wfc_mod.f90\nq-e-qe-7.6/Modules/autopilot.f90\nq-e-qe-7.6/Modules/basic_algebra_routines.f90\nq-e-qe-7.6/Modules/becmod.f90\nq-e-qe-7.6/Modules/bfgs_module.f90\nq-e-qe-7.6/Modules/bspline.f90\nq-e-qe-7.6/Modules/bz_form.f90\nq-e-qe-7.6/Modules/cell_base.f90\nq-e-qe-7.6/Modules/cell_nose.f90\nq-e-qe-7.6/Modules/check_stop.f90\nq-e-qe-7.6/Modules/chempot.f90\nq-e-qe-7.6/Modules/chempot_lauerism.f90\nq-e-qe-7.6/Modules/closure.f90\nq-e-qe-7.6/Modules/command_line_options.f90\nq-e-qe-7.6/Modules/compute_dipole.f90\nq-e-qe-7.6/Modules/constants.f90\nq-e-qe-7.6/Modules/constraints_module.f90\nq-e-qe-7.6/Modules/control_flags.f90\nq-e-qe-7.6/Modules/copy_order_um_from_xml.f90\nq-e-qe-7.6/Modules/corrdipole_laue.f90\nq-e-qe-7.6/Modules/correctat0_vv.f90\nq-e-qe-7.6/Modules/corrgxy0_laue.f90\nq-e-qe-7.6/Modules/coulomb_vcut.f90\nq-e-qe-7.6/Modules/cryst_to_car.f90\nq-e-qe-7.6/Modules/cryst_to_car_2d.f90\nq-e-qe-7.6/Modules/customize_signals.c\nq-e-qe-7.6/Modules/data_structure_3drism.f90\nq-e-qe-7.6/Modules/date_and_tim.f90\nq-e-qe-7.6/Modules/deviatoric.f90\nq-e-qe-7.6/Modules/dist.f90\nq-e-qe-7.6/Modules/do_1drism.f90\nq-e-qe-7.6/Modules/do_3drism.f90\nq-e-qe-7.6/Modules/do_lauerism.f90\nq-e-qe-7.6/Modules/electrons_base.f90\nq-e-qe-7.6/Modules/environ_api_stub.f90\nq-e-qe-7.6/Modules/environ_base_module.f90\nq-e-qe-7.6/Modules/environment.f90\nq-e-qe-7.6/Modules/eqn_1drism.f90\nq-e-qe-7.6/Modules/eqn_3drism.f90\nq-e-qe-7.6/Modules/eqn_lauedipole.f90\nq-e-qe-7.6/Modules/eqn_lauegxy0.f90\nq-e-qe-7.6/Modules/eqn_lauelong.f90\nq-e-qe-7.6/Modules/eqn_lauerism.f90\nq-e-qe-7.6/Modules/eqn_laueshort.f90\nq-e-qe-7.6/Modules/eqn_lauevoid.f90\nq-e-qe-7.6/Modules/err_rism.f90\nq-e-qe-7.6/Modules/expint.f90\nq-e-qe-7.6/Modules/extffield.f90\nq-e-qe-7.6/Modules/fd_gradient.f90\nq-e-qe-7.6/Modules/fft_base.f90\nq-e-qe-7.6/Modules/fft_rho.f90\nq-e-qe-7.6/Modules/fft_wave.f90\nq-e-qe-7.6/Modules/fox_init_module.f90\nq-e-qe-7.6/Modules/fsockets.f90\nq-e-qe-7.6/Modules/funct.f90\nq-e-qe-7.6/Modules/generate_function.f90\nq-e-qe-7.6/Modules/generate_k_along_lines.f90\nq-e-qe-7.6/Modules/gradutils.f90\nq-e-qe-7.6/Modules/guess_3drism.f90\nq-e-qe-7.6/Modules/gvecw.f90\nq-e-qe-7.6/Modules/has_xml.f90\nq-e-qe-7.6/Modules/hdf5_qe.f90\nq-e-qe-7.6/Modules/init_1drism.f90\nq-e-qe-7.6/Modules/init_3drism.f90\nq-e-qe-7.6/Modules/inpfile.f90\nq-e-qe-7.6/Modules/input_1drism.f90\nq-e-qe-7.6/Modules/input_3drism.f90\nq-e-qe-7.6/Modules/input_parameters.f90\nq-e-qe-7.6/Modules/int_to_char.f90\nq-e-qe-7.6/Modules/invmat.f90\nq-e-qe-7.6/Modules/io_base.f90\nq-e-qe-7.6/Modules/io_files.f90\nq-e-qe-7.6/Modules/io_global.f90\nq-e-qe-7.6/Modules/io_rism_xml.f90\nq-e-qe-7.6/Modules/ions_base.f90\nq-e-qe-7.6/Modules/ions_nose.f90\nq-e-qe-7.6/Modules/kind.f90\nq-e-qe-7.6/Modules/latgen.f90\nq-e-qe-7.6/Modules/lauefft.f90\nq-e-qe-7.6/Modules/lauefft_subs.f90\nq-e-qe-7.6/Modules/linpack.f90\nq-e-qe-7.6/Modules/lj_forcefield.f90\nq-e-qe-7.6/Modules/lj_solute.f90\nq-e-qe-7.6/Modules/lmdif.f90\nq-e-qe-7.6/Modules/makov_payne.f90\nq-e-qe-7.6/Modules/mbdlib.f90\nq-e-qe-7.6/Modules/mdiis.f90\nq-e-qe-7.6/Modules/mm_dispersion.f90\nq-e-qe-7.6/Modules/molebridge_vv.f90\nq-e-qe-7.6/Modules/molecorr_vv.f90\nq-e-qe-7.6/Modules/molecule_const.f90\nq-e-qe-7.6/Modules/molecule_types.f90\nq-e-qe-7.6/Modules/more_functionals.f90\nq-e-qe-7.6/Modules/mp_bands.f90\nq-e-qe-7.6/Modules/mp_exx.f90\nq-e-qe-7.6/Modules/mp_global.f90\nq-e-qe-7.6/Modules/mp_images.f90\nq-e-qe-7.6/Modules/mp_pools.f90\nq-e-qe-7.6/Modules/mp_rism.f90\nq-e-qe-7.6/Modules/mp_swap_ax_rism.f90\nq-e-qe-7.6/Modules/mp_wave.f90\nq-e-qe-7.6/Modules/mp_world.f90\nq-e-qe-7.6/Modules/noncol.f90\nq-e-qe-7.6/Modules/normalize_lauerism.f90\nq-e-qe-7.6/Modules/open_close_input_file.f90\nq-e-qe-7.6/Modules/parameters.f90\nq-e-qe-7.6/Modules/parser.f90\nq-e-qe-7.6/Modules/plot_io.f90\nq-e-qe-7.6/Modules/plot_rism.f90\nq-e-qe-7.6/Modules/plugin_arguments.f90\nq-e-qe-7.6/Modules/plugin_flags.f90\nq-e-qe-7.6/Modules/plugin_variables.f90\nq-e-qe-7.6/Modules/potential_3drism.f90\nq-e-qe-7.6/Modules/potential_esm.f90\nq-e-qe-7.6/Modules/potential_vv.f90\nq-e-qe-7.6/Modules/print_chempot_3drism.f90\nq-e-qe-7.6/Modules/print_chempot_lauerism.f90\nq-e-qe-7.6/Modules/print_chempot_vv.f90\nq-e-qe-7.6/Modules/print_corr_vv.f90\nq-e-qe-7.6/Modules/print_solvavg.f90\nq-e-qe-7.6/Modules/printout_base.f90\nq-e-qe-7.6/Modules/pw_dot.f90\nq-e-qe-7.6/Modules/qeh5_module.f90\nq-e-qe-7.6/Modules/qes_bcast_module.f90\nq-e-qe-7.6/Modules/qes_init_module.f90\nq-e-qe-7.6/Modules/qes_libs_module.f90\nq-e-qe-7.6/Modules/qes_read_module.f90\nq-e-qe-7.6/Modules/qes_reset_module.f90\nq-e-qe-7.6/Modules/qes_types_module.f90\nq-e-qe-7.6/Modules/qes_write_module.f90\nq-e-qe-7.6/Modules/qexsd.f90\nq-e-qe-7.6/Modules/qexsd_copy.f90\nq-e-qe-7.6/Modules/qexsd_init.f90\nq-e-qe-7.6/Modules/qexsd_input.f90\nq-e-qe-7.6/Modules/qmmm.f90\nq-e-qe-7.6/Modules/qmmm_aux.c\nq-e-qe-7.6/Modules/radfft.f90\nq-e-qe-7.6/Modules/radial_gradients.f90\nq-e-qe-7.6/Modules/random_numbers.f90\nq-e-qe-7.6/Modules/random_numbers_gpu.f90\nq-e-qe-7.6/Modules/read_cards.f90\nq-e-qe-7.6/Modules/read_input.f90\nq-e-qe-7.6/Modules/read_mol.f90\nq-e-qe-7.6/Modules/read_namelists.f90\nq-e-qe-7.6/Modules/read_pseudo.f90\nq-e-qe-7.6/Modules/read_solv.f90\nq-e-qe-7.6/Modules/recips.f90\nq-e-qe-7.6/Modules/recvec.f90\nq-e-qe-7.6/Modules/recvec_3drism.f90\nq-e-qe-7.6/Modules/recvec_subs.f90\nq-e-qe-7.6/Modules/remove_tot_torque.f90\nq-e-qe-7.6/Modules/rgen.f90\nq-e-qe-7.6/Modules/rism.f90\nq-e-qe-7.6/Modules/rism1d_facade.f90\nq-e-qe-7.6/Modules/rism3d_facade.f90\nq-e-qe-7.6/Modules/rms_residual.f90\nq-e-qe-7.6/Modules/run_info.f90\nq-e-qe-7.6/Modules/scale_fft_3drism.f90\nq-e-qe-7.6/Modules/scale_fft_lauerism.f90\nq-e-qe-7.6/Modules/set_para_diag.f90\nq-e-qe-7.6/Modules/set_signal.f90\nq-e-qe-7.6/Modules/set_vdw_corr.f90\nq-e-qe-7.6/Modules/setqf.f90\nq-e-qe-7.6/Modules/sockets.c\nq-e-qe-7.6/Modules/solute.f90\nq-e-qe-7.6/Modules/solvation_3drism.f90\nq-e-qe-7.6/Modules/solvation_esm.f90\nq-e-qe-7.6/Modules/solvation_force.f90\nq-e-qe-7.6/Modules/solvation_lauerism.f90\nq-e-qe-7.6/Modules/solvation_pbc.f90\nq-e-qe-7.6/Modules/solvation_stress.f90\nq-e-qe-7.6/Modules/solvavg.f90\nq-e-qe-7.6/Modules/solvmol.f90\nq-e-qe-7.6/Modules/sort.f90\nq-e-qe-7.6/Modules/space_group.f90\nq-e-qe-7.6/Modules/summary_1drism.f90\nq-e-qe-7.6/Modules/summary_3drism.f90\nq-e-qe-7.6/Modules/suscept_g0.f90\nq-e-qe-7.6/Modules/suscept_laue.f90\nq-e-qe-7.6/Modules/suscept_laueint.f90\nq-e-qe-7.6/Modules/suscept_vv.f90\nq-e-qe-7.6/Modules/timestep.f90\nq-e-qe-7.6/Modules/trimcheck.f90\nq-e-qe-7.6/Modules/tsvdw.f90\nq-e-qe-7.6/Modules/version.f90\nq-e-qe-7.6/Modules/volume.f90\nq-e-qe-7.6/Modules/w0gauss.f90\nq-e-qe-7.6/Modules/w1gauss.f90\nq-e-qe-7.6/Modules/wannier_gw.f90\nq-e-qe-7.6/Modules/wannier_new.f90\nq-e-qe-7.6/Modules/wave_gauge.f90\nq-e-qe-7.6/Modules/wavefunctions.f90\nq-e-qe-7.6/Modules/wgauss.f90\nq-e-qe-7.6/Modules/write_rism_type.f90\nq-e-qe-7.6/Modules/ws_base.f90\nq-e-qe-7.6/Modules/wyckoff.f90\nq-e-qe-7.6/Modules/wypos.f90\nq-e-qe-7.6/Modules/xc_rVV10.f90\nq-e-qe-7.6/Modules/xc_vdW_DF.f90\nq-e-qe-7.6/Modules/xml_io_rism.f90\nq-e-qe-7.6/Modules/xsf.f90\nq-e-qe-7.6/Modules/zvscal.f90\nq-e-qe-7.6/NEB/\nq-e-qe-7.6/NEB/CMakeLists.txt\nq-e-qe-7.6/NEB/Doc/\nq-e-qe-7.6/NEB/Doc/INPUT_NEB.def\nq-e-qe-7.6/NEB/Doc/Makefile\nq-e-qe-7.6/NEB/Doc/user_guide.pdf\nq-e-qe-7.6/NEB/Doc/user_guide.tex\nq-e-qe-7.6/NEB/Makefile\nq-e-qe-7.6/NEB/examples/\nq-e-qe-7.6/NEB/examples/ESM_example/\nq-e-qe-7.6/NEB/examples/ESM_example/README\nq-e-qe-7.6/NEB/examples/ESM_example/reference/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_1/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_1/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_2/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_2/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_3/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_3/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_4/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_4/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_5/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_5/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/run_example\nq-e-qe-7.6/NEB/examples/ESM_example/run_example_ESM\nq-e-qe-7.6/NEB/examples/ESM_example/run_example_FCP\nq-e-qe-7.6/NEB/examples/ESM_example/run_example_GCSCF\nq-e-qe-7.6/NEB/examples/check-neb.x.j\nq-e-qe-7.6/NEB/examples/clean_all\nq-e-qe-7.6/NEB/examples/example01/\nq-e-qe-7.6/NEB/examples/example01/README\nq-e-qe-7.6/NEB/examples/example01/reference/\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.axsf\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.dat\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.int\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.out\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.path\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.xyz\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.axsf\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.dat\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.int\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.out\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.path\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.xyz\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.axsf\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.dat\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.int\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.out\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.path\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.xyz\nq-e-qe-7.6/NEB/examples/example01/run_example\nq-e-qe-7.6/NEB/examples/neb0.in\nq-e-qe-7.6/NEB/examples/neb0.ref\nq-e-qe-7.6/NEB/examples/neb1.in\nq-e-qe-7.6/NEB/examples/neb1.ref\nq-e-qe-7.6/NEB/examples/neb2.in\nq-e-qe-7.6/NEB/examples/neb2.ref\nq-e-qe-7.6/NEB/src/\nq-e-qe-7.6/NEB/src/Makefile\nq-e-qe-7.6/NEB/src/bcast_file.f90\nq-e-qe-7.6/NEB/src/compute_scf.f90\nq-e-qe-7.6/NEB/src/engine_to_path_alat.f90\nq-e-qe-7.6/NEB/src/engine_to_path_fix_atom_pos.f90\nq-e-qe-7.6/NEB/src/engine_to_path_nat.f90\nq-e-qe-7.6/NEB/src/engine_to_path_pos.f90\nq-e-qe-7.6/NEB/src/engine_to_path_tot_charge.f90\nq-e-qe-7.6/NEB/src/fcp_opt_routines.f90\nq-e-qe-7.6/NEB/src/fcp_variables.f90\nq-e-qe-7.6/NEB/src/gcscf_variables.f90\nq-e-qe-7.6/NEB/src/neb.f90\nq-e-qe-7.6/NEB/src/neb_input.f90\nq-e-qe-7.6/NEB/src/path_base.f90\nq-e-qe-7.6/NEB/src/path_formats.f90\nq-e-qe-7.6/NEB/src/path_gen_inputs.f90\nq-e-qe-7.6/NEB/src/path_input_parameters_module.f90\nq-e-qe-7.6/NEB/src/path_interpolation.f90\nq-e-qe-7.6/NEB/src/path_io_routines.f90\nq-e-qe-7.6/NEB/src/path_io_tools.f90\nq-e-qe-7.6/NEB/src/path_io_units_module.f90\nq-e-qe-7.6/NEB/src/path_opt_routines.f90\nq-e-qe-7.6/NEB/src/path_read_cards_module.f90\nq-e-qe-7.6/NEB/src/path_read_namelists_module.f90\nq-e-qe-7.6/NEB/src/path_reparametrisation.f90\nq-e-qe-7.6/NEB/src/path_to_engine_fix_atom_pos.f90\nq-e-qe-7.6/NEB/src/path_variables.f90\nq-e-qe-7.6/NEB/src/set_defaults.f90\nq-e-qe-7.6/NEB/src/stop_run_path.f90\nq-e-qe-7.6/NEB/tools/\nq-e-qe-7.6/NEB/tools/path_interpolation.sh\nq-e-qe-7.6/NEB/tools/path_merge.sh\nq-e-qe-7.6/PHonon/\nq-e-qe-7.6/PHonon/CMakeLists.txt\nq-e-qe-7.6/PHonon/Doc/\nq-e-qe-7.6/PHonon/Doc/INPUT_DYNMAT.def\nq-e-qe-7.6/PHonon/Doc/INPUT_Gamma\nq-e-qe-7.6/PHonon/Doc/INPUT_MATDYN.def\nq-e-qe-7.6/PHonon/Doc/INPUT_PH.def\nq-e-qe-7.6/PHonon/Doc/INPUT_POSTAHC.def\nq-e-qe-7.6/PHonon/Doc/INPUT_Q2R.def\nq-e-qe-7.6/PHonon/Doc/Makefile\nq-e-qe-7.6/PHonon/Doc/developer_man.pdf\nq-e-qe-7.6/PHonon/Doc/dfpt_self_energy.pdf\nq-e-qe-7.6/PHonon/Doc/dfpt_self_energy.tex\nq-e-qe-7.6/PHonon/Doc/dfpt_tetra.pdf\nq-e-qe-7.6/PHonon/Doc/dfpt_tetra.tex\nq-e-qe-7.6/PHonon/Doc/input_xx.xsl\nq-e-qe-7.6/PHonon/Doc/pic/\nq-e-qe-7.6/PHonon/Doc/pic/elph_tetra.pdf\nq-e-qe-7.6/PHonon/Doc/user_guide.pdf\nq-e-qe-7.6/PHonon/Doc/user_guide.tex\nq-e-qe-7.6/PHonon/FD/\nq-e-qe-7.6/PHonon/FD/Makefile\nq-e-qe-7.6/PHonon/FD/example/\nq-e-qe-7.6/PHonon/FD/example/README\nq-e-qe-7.6/PHonon/FD/example/Si_example/\nq-e-qe-7.6/PHonon/FD/example/Si_example/fd.in\nq-e-qe-7.6/PHonon/FD/example/Si_example/fd_ifc.in\nq-e-qe-7.6/PHonon/FD/example/Si_example/run_fd\nq-e-qe-7.6/PHonon/FD/example/Si_example/si.scf.in\nq-e-qe-7.6/PHonon/FD/fd.f90\nq-e-qe-7.6/PHonon/FD/fd_ef.f90\nq-e-qe-7.6/PHonon/FD/fd_ifc.f90\nq-e-qe-7.6/PHonon/FD/run_fd\nq-e-qe-7.6/PHonon/FD/stop_pp.f90\nq-e-qe-7.6/PHonon/Ford.md\nq-e-qe-7.6/PHonon/Ford/\nq-e-qe-7.6/PHonon/Ford/index.md\nq-e-qe-7.6/PHonon/Gamma/\nq-e-qe-7.6/PHonon/Gamma/Makefile\nq-e-qe-7.6/PHonon/Gamma/a_h.f90\nq-e-qe-7.6/PHonon/Gamma/cg_readin.f90\nq-e-qe-7.6/PHonon/Gamma/cg_setup.f90\nq-e-qe-7.6/PHonon/Gamma/cgcom.f90\nq-e-qe-7.6/PHonon/Gamma/cgsolve.f90\nq-e-qe-7.6/PHonon/Gamma/d2ion.f90\nq-e-qe-7.6/PHonon/Gamma/dgradcorr.f90\nq-e-qe-7.6/PHonon/Gamma/dielec.f90\nq-e-qe-7.6/PHonon/Gamma/drhodv.f90\nq-e-qe-7.6/PHonon/Gamma/dvb_cc.f90\nq-e-qe-7.6/PHonon/Gamma/dvpsi_e.f90\nq-e-qe-7.6/PHonon/Gamma/dvpsi_kb.f90\nq-e-qe-7.6/PHonon/Gamma/dyndiar.f90\nq-e-qe-7.6/PHonon/Gamma/dynmat_init.f90\nq-e-qe-7.6/PHonon/Gamma/dynmatcc.f90\nq-e-qe-7.6/PHonon/Gamma/find_equiv_sites.f90\nq-e-qe-7.6/PHonon/Gamma/generate_dynamical_matrix.f90\nq-e-qe-7.6/PHonon/Gamma/generate_effective_charges.f90\nq-e-qe-7.6/PHonon/Gamma/h_h.f90\nq-e-qe-7.6/PHonon/Gamma/macro.f90\nq-e-qe-7.6/PHonon/Gamma/phcg.f90\nq-e-qe-7.6/PHonon/Gamma/rhod2vkb.f90\nq-e-qe-7.6/PHonon/Gamma/solve_e.f90\nq-e-qe-7.6/PHonon/Gamma/solve_ph.f90\nq-e-qe-7.6/PHonon/Gamma/writedyn.f90\nq-e-qe-7.6/PHonon/Makefile\nq-e-qe-7.6/PHonon/PH/\nq-e-qe-7.6/PHonon/PH/Makefile\nq-e-qe-7.6/PHonon/PH/acfdtest.f90\nq-e-qe-7.6/PHonon/PH/add_dkmds.f90\nq-e-qe-7.6/PHonon/PH/add_for_charges.f90\nq-e-qe-7.6/PHonon/PH/add_zstar_ue.f90\nq-e-qe-7.6/PHonon/PH/add_zstar_ue_us.f90\nq-e-qe-7.6/PHonon/PH/addcore.f90\nq-e-qe-7.6/PHonon/PH/addnlcc_zstar_eu_us.f90\nq-e-qe-7.6/PHonon/PH/addusddens_pulay.f90\nq-e-qe-7.6/PHonon/PH/addusdynmat.f90\nq-e-qe-7.6/PHonon/PH/ahc.f90\nq-e-qe-7.6/PHonon/PH/allocate_part.f90\nq-e-qe-7.6/PHonon/PH/allocate_pert.f90\nq-e-qe-7.6/PHonon/PH/allocate_phq.f90\nq-e-qe-7.6/PHonon/PH/alpha2f.f90\nq-e-qe-7.6/PHonon/PH/bcast_ph_input.f90\nq-e-qe-7.6/PHonon/PH/cch_psi_all.f90\nq-e-qe-7.6/PHonon/PH/check_if_partial_dyn.f90\nq-e-qe-7.6/PHonon/PH/check_initial_status.f90\nq-e-qe-7.6/PHonon/PH/check_restart_recover.f90\nq-e-qe-7.6/PHonon/PH/chi_test.f90\nq-e-qe-7.6/PHonon/PH/clean_pw_ph.f90\nq-e-qe-7.6/PHonon/PH/clinear.f90\nq-e-qe-7.6/PHonon/PH/close_phq.f90\nq-e-qe-7.6/PHonon/PH/compute_alphasum.f90\nq-e-qe-7.6/PHonon/PH/compute_becalp.f90\nq-e-qe-7.6/PHonon/PH/compute_becsum_ph.f90\nq-e-qe-7.6/PHonon/PH/compute_drhous.f90\nq-e-qe-7.6/PHonon/PH/compute_drhous_nc.f90\nq-e-qe-7.6/PHonon/PH/compute_dvloc.f90\nq-e-qe-7.6/PHonon/PH/compute_nldyn.f90\nq-e-qe-7.6/PHonon/PH/compute_weight.f90\nq-e-qe-7.6/PHonon/PH/d2ionq.f90\nq-e-qe-7.6/PHonon/PH/d2ionq_disp.f90\nq-e-qe-7.6/PHonon/PH/d2mxc.f90\nq-e-qe-7.6/PHonon/PH/d2nsq_bare.f90\nq-e-qe-7.6/PHonon/PH/davcio_drho.f90\nq-e-qe-7.6/PHonon/PH/deallocate_part.f90\nq-e-qe-7.6/PHonon/PH/deallocate_phq.f90\nq-e-qe-7.6/PHonon/PH/delta_sphi.f90\nq-e-qe-7.6/PHonon/PH/dfile_autoname.f90\nq-e-qe-7.6/PHonon/PH/dfile_star.f90\nq-e-qe-7.6/PHonon/PH/dhdrhopsi.f90\nq-e-qe-7.6/PHonon/PH/dielec.f90\nq-e-qe-7.6/PHonon/PH/dielec_test.f90\nq-e-qe-7.6/PHonon/PH/dnsq_bare.f90\nq-e-qe-7.6/PHonon/PH/dnsq_orth.f90\nq-e-qe-7.6/PHonon/PH/dnsq_orth_set_irr.f90\nq-e-qe-7.6/PHonon/PH/dnsq_store.f90\nq-e-qe-7.6/PHonon/PH/do_phonon.f90\nq-e-qe-7.6/PHonon/PH/do_q2r.f90\nq-e-qe-7.6/PHonon/PH/dpsi_orth.f90\nq-e-qe-7.6/PHonon/PH/drho.f90\nq-e-qe-7.6/PHonon/PH/drhodv.f90\nq-e-qe-7.6/PHonon/PH/drhodvloc.f90\nq-e-qe-7.6/PHonon/PH/drhodvnl.f90\nq-e-qe-7.6/PHonon/PH/drhodvus.f90\nq-e-qe-7.6/PHonon/PH/dump_drho.f90\nq-e-qe-7.6/PHonon/PH/dvanqq.f90\nq-e-qe-7.6/PHonon/PH/dvkb3.f90\nq-e-qe-7.6/PHonon/PH/dvpsi_e.f90\nq-e-qe-7.6/PHonon/PH/dvpsi_e2.f90\nq-e-qe-7.6/PHonon/PH/dvqhub_barepsi_us.f90\nq-e-qe-7.6/PHonon/PH/dvqhub_barepsi_us2.f90\nq-e-qe-7.6/PHonon/PH/dvqpsi_us.f90\nq-e-qe-7.6/PHonon/PH/dvqpsi_us_only.f90\nq-e-qe-7.6/PHonon/PH/dvscf_interpolate.f90\nq-e-qe-7.6/PHonon/PH/dvscf_q2r.f90\nq-e-qe-7.6/PHonon/PH/dwfc.f90\nq-e-qe-7.6/PHonon/PH/dyndia.f90\nq-e-qe-7.6/PHonon/PH/dynmat.f90\nq-e-qe-7.6/PHonon/PH/dynmat0.f90\nq-e-qe-7.6/PHonon/PH/dynmat_hub_bare.f90\nq-e-qe-7.6/PHonon/PH/dynmat_hub_scf.f90\nq-e-qe-7.6/PHonon/PH/dynmat_nlcc.f90\nq-e-qe-7.6/PHonon/PH/dynmat_us.f90\nq-e-qe-7.6/PHonon/PH/dynmatcc.f90\nq-e-qe-7.6/PHonon/PH/dynmatrix.f90\nq-e-qe-7.6/PHonon/PH/el_opt.f90\nq-e-qe-7.6/PHonon/PH/el_ph_collect.f90\nq-e-qe-7.6/PHonon/PH/elph.f90\nq-e-qe-7.6/PHonon/PH/elph_scdft_mod.f90\nq-e-qe-7.6/PHonon/PH/elph_tetra_mod.f90\nq-e-qe-7.6/PHonon/PH/elphon.f90\nq-e-qe-7.6/PHonon/PH/ep_matrix_element_wannier.f90\nq-e-qe-7.6/PHonon/PH/epa.f90\nq-e-qe-7.6/PHonon/PH/find_equiv_sites.f90\nq-e-qe-7.6/PHonon/PH/find_irrep.f90\nq-e-qe-7.6/PHonon/PH/find_mode_sym.f90\nq-e-qe-7.6/PHonon/PH/fqha.f90\nq-e-qe-7.6/PHonon/PH/generate_dynamical_matrix_c.f90\nq-e-qe-7.6/PHonon/PH/generate_effective_charges_c.f90\nq-e-qe-7.6/PHonon/PH/gmressolve_all.f90\nq-e-qe-7.6/PHonon/PH/hdiag.f90\nq-e-qe-7.6/PHonon/PH/incdrhous.f90\nq-e-qe-7.6/PHonon/PH/incdrhous_nc.f90\nq-e-qe-7.6/PHonon/PH/init_representations.f90\nq-e-qe-7.6/PHonon/PH/initialize_ph.f90\nq-e-qe-7.6/PHonon/PH/io_dyn_mat.f90\nq-e-qe-7.6/PHonon/PH/io_dyn_mat_old.f90\nq-e-qe-7.6/PHonon/PH/io_pattern.f90\nq-e-qe-7.6/PHonon/PH/lambda.f90\nq-e-qe-7.6/PHonon/PH/matdyn.f90\nq-e-qe-7.6/PHonon/PH/obsolete.f90\nq-e-qe-7.6/PHonon/PH/openfilq.f90\nq-e-qe-7.6/PHonon/PH/pcgreen.f90\nq-e-qe-7.6/PHonon/PH/ph_restart.f90\nq-e-qe-7.6/PHonon/PH/ph_set_upert.f90\nq-e-qe-7.6/PHonon/PH/phcom.f90\nq-e-qe-7.6/PHonon/PH/phescf.f90\nq-e-qe-7.6/PHonon/PH/phonon.f90\nq-e-qe-7.6/PHonon/PH/phq_init.f90\nq-e-qe-7.6/PHonon/PH/phq_readin.f90\nq-e-qe-7.6/PHonon/PH/phq_recover.f90\nq-e-qe-7.6/PHonon/PH/phq_setup.f90\nq-e-qe-7.6/PHonon/PH/phq_summary.f90\nq-e-qe-7.6/PHonon/PH/phqscf.f90\nq-e-qe-7.6/PHonon/PH/polariz.f90\nq-e-qe-7.6/PHonon/PH/postahc.f90\nq-e-qe-7.6/PHonon/PH/prepare_q.f90\nq-e-qe-7.6/PHonon/PH/prepare_sym_analysis.f90\nq-e-qe-7.6/PHonon/PH/print_clock_ph.f90\nq-e-qe-7.6/PHonon/PH/psidspsi.f90\nq-e-qe-7.6/PHonon/PH/psyme2.f90\nq-e-qe-7.6/PHonon/PH/punch_plot_e.f90\nq-e-qe-7.6/PHonon/PH/q2qstar.f90\nq-e-qe-7.6/PHonon/PH/q2qstar_ph.f90\nq-e-qe-7.6/PHonon/PH/q2r.f90\nq-e-qe-7.6/PHonon/PH/q_points.f90\nq-e-qe-7.6/PHonon/PH/q_points_wannier.f90\nq-e-qe-7.6/PHonon/PH/raman.f90\nq-e-qe-7.6/PHonon/PH/raman_mat.f90\nq-e-qe-7.6/PHonon/PH/ramanm.f90\nq-e-qe-7.6/PHonon/PH/random_matrix.f90\nq-e-qe-7.6/PHonon/PH/read_wfc_rspace_and_fwfft.f90\nq-e-qe-7.6/PHonon/PH/rigid.f90\nq-e-qe-7.6/PHonon/PH/rotate_and_add_dyn.f90\nq-e-qe-7.6/PHonon/PH/rotate_dvscf_star.f90\nq-e-qe-7.6/PHonon/PH/rotate_pattern_add.f90\nq-e-qe-7.6/PHonon/PH/run_nscf.f90\nq-e-qe-7.6/PHonon/PH/save_ph_input.f90\nq-e-qe-7.6/PHonon/PH/set_asr_c.f90\nq-e-qe-7.6/PHonon/PH/set_drhoc.f90\nq-e-qe-7.6/PHonon/PH/set_dvscf.f90\nq-e-qe-7.6/PHonon/PH/set_int12_nc.f90\nq-e-qe-7.6/PHonon/PH/set_irr.f90\nq-e-qe-7.6/PHonon/PH/set_irr_nosym.f90\nq-e-qe-7.6/PHonon/PH/set_irr_sym.f90\nq-e-qe-7.6/PHonon/PH/setlocq.f90\nq-e-qe-7.6/PHonon/PH/solve_e.f90\nq-e-qe-7.6/PHonon/PH/solve_e2.f90\nq-e-qe-7.6/PHonon/PH/solve_e_fpol.f90\nq-e-qe-7.6/PHonon/PH/solve_e_nscf.f90\nq-e-qe-7.6/PHonon/PH/solve_linter.f90\nq-e-qe-7.6/PHonon/PH/stop_ph.f90\nq-e-qe-7.6/PHonon/PH/summarize.f90\nq-e-qe-7.6/PHonon/PH/swfc.f90\nq-e-qe-7.6/PHonon/PH/sym_and_write_zue.f90\nq-e-qe-7.6/PHonon/PH/sym_dns_wrapper.f90\nq-e-qe-7.6/PHonon/PH/symdyn_munu.f90\nq-e-qe-7.6/PHonon/PH/symdynph_gq.f90\nq-e-qe-7.6/PHonon/PH/syme2.f90\nq-e-qe-7.6/PHonon/PH/symm.f90\nq-e-qe-7.6/PHonon/PH/symmorphic_or_nzb.f90\nq-e-qe-7.6/PHonon/PH/tra_write_matrix.f90\nq-e-qe-7.6/PHonon/PH/transform_alphasum_nc.f90\nq-e-qe-7.6/PHonon/PH/transform_alphasum_so.f90\nq-e-qe-7.6/PHonon/PH/transform_int_nc.f90\nq-e-qe-7.6/PHonon/PH/transform_int_so.f90\nq-e-qe-7.6/PHonon/PH/trntnsc.f90\nq-e-qe-7.6/PHonon/PH/write_eigenvectors.f90\nq-e-qe-7.6/PHonon/PH/write_epsilon_and_zeu.f90\nq-e-qe-7.6/PHonon/PH/write_hub.f90\nq-e-qe-7.6/PHonon/PH/write_matrix.f90\nq-e-qe-7.6/PHonon/PH/write_modes.f90\nq-e-qe-7.6/PHonon/PH/write_qplot_data.f90\nq-e-qe-7.6/PHonon/PH/write_ramtns.f90\nq-e-qe-7.6/PHonon/PH/write_rec.f90\nq-e-qe-7.6/PHonon/PH/yambo.f90\nq-e-qe-7.6/PHonon/PH/zstar_eu.f90\nq-e-qe-7.6/PHonon/PH/zstar_eu_us.f90\nq-e-qe-7.6/PHonon/examples/\nq-e-qe-7.6/PHonon/examples/GRID_example/\nq-e-qe-7.6/PHonon/examples/GRID_example/README\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.ph.out0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.7\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.8\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.7\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.8\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.444.fc.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn1.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn2.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn3.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn4.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn5.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn6.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn7.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn8.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.freq\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.freq.rap\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.ph.in0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.ph.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.ph.out0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.1.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.1.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.1.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.2.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.2.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.3.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.3.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.4.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.4.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.5.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.5.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.freq\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.freq.rap\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.modes\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/phdos.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example_1\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example_2\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example_3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/README\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.444.fc\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dispersions.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn0\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn7\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn8\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.collect.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.prep.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.phdos.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/freq.plot\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/phdos.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dispersions.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn0\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn7\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn8\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.ph.collect.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.ph.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.ph.rec.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.phdos.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas444.fc\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/freq.plot\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.modes\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/out.1_0\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/phdos.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/run_example\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/run_example_2\nq-e-qe-7.6/PHonon/examples/Image_example/\nq-e-qe-7.6/PHonon/examples/Image_example/README\nq-e-qe-7.6/PHonon/examples/Image_example/reference/\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.ph.out1\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/out.1_0\nq-e-qe-7.6/PHonon/examples/Image_example/reference/phdos.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn0\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn1\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn2\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn3\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn4\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn5\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn6\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn7\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn8\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn0\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn1\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn10\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn11\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn12\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn13\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn14\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn15\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn16\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn17\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.freq\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.collect.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.disp.collect.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.disp.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.scf.out\nq-e-qe-7.6/PHonon/examples/Image_example/run_example\nq-e-qe-7.6/PHonon/examples/Image_example/run_example_1\nq-e-qe-7.6/PHonon/examples/Partial_example/\nq-e-qe-7.6/PHonon/examples/Partial_example/README\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phA1.out\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phE.out1\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phE.out2\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phG.out\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/Partial_example/run_example\nq-e-qe-7.6/PHonon/examples/README\nq-e-qe-7.6/PHonon/examples/Recover_example/\nq-e-qe-7.6/PHonon/examples/Recover_example/README\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Au.phX_rel.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Au.phX_rel.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Au.scf_rel.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phG_pbe.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phG_pbe.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phX_pbe_one_mode.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phX_pbe_one_mode.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.scf_pbe.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/ni.phX.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/ni.phX.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/si.phG.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/si.phG.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/si.scf.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/Al444.fc\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/Al444.freq\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/Al444.freq.gp\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos10\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos9\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn0\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.elph.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.elph.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.scf.fit.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.scf.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/dyna2F\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.61\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.62\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.63\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.64\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.65\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.66\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.67\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.68\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.69\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.70\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/lambda\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/matdyn.in.dos\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/matdyn.modes\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/matdyn.out.dos\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/phonon.dos\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/q2r.out\nq-e-qe-7.6/PHonon/examples/Recover_example/run_example\nq-e-qe-7.6/PHonon/examples/Recover_example/run_example_1\nq-e-qe-7.6/PHonon/examples/clean_all\nq-e-qe-7.6/PHonon/examples/example01/\nq-e-qe-7.6/PHonon/examples/example01/README\nq-e-qe-7.6/PHonon/examples/example01/reference/\nq-e-qe-7.6/PHonon/examples/example01/reference/c.phG.out\nq-e-qe-7.6/PHonon/examples/example01/reference/c.scf.out\nq-e-qe-7.6/PHonon/examples/example01/reference/ni.phX.out\nq-e-qe-7.6/PHonon/examples/example01/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.phG.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.phX.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.phXsingle.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.scf.out\nq-e-qe-7.6/PHonon/examples/example01/run_example\nq-e-qe-7.6/PHonon/examples/example014/\nq-e-qe-7.6/PHonon/examples/example014/run_example_ep_simple\nq-e-qe-7.6/PHonon/examples/example02/\nq-e-qe-7.6/PHonon/examples/example02/README\nq-e-qe-7.6/PHonon/examples/example02/reference/\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.freq\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/example02/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/example02/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example02/run_example\nq-e-qe-7.6/PHonon/examples/example03/\nq-e-qe-7.6/PHonon/examples/example03/README\nq-e-qe-7.6/PHonon/examples/example03/reference/\nq-e-qe-7.6/PHonon/examples/example03/reference/al.elph.out\nq-e-qe-7.6/PHonon/examples/example03/reference/al.scf.fit.out\nq-e-qe-7.6/PHonon/examples/example03/reference/al.scf.out\nq-e-qe-7.6/PHonon/examples/example03/reference/lambda\nq-e-qe-7.6/PHonon/examples/example03/run_example\nq-e-qe-7.6/PHonon/examples/example04/\nq-e-qe-7.6/PHonon/examples/example04/README\nq-e-qe-7.6/PHonon/examples/example04/reference/\nq-e-qe-7.6/PHonon/examples/example04/reference/ch4.dyn.out\nq-e-qe-7.6/PHonon/examples/example04/reference/ch4.nm.out\nq-e-qe-7.6/PHonon/examples/example04/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/example04/run_example\nq-e-qe-7.6/PHonon/examples/example05/\nq-e-qe-7.6/PHonon/examples/example05/README\nq-e-qe-7.6/PHonon/examples/example05/reference/\nq-e-qe-7.6/PHonon/examples/example05/reference/alas.dynG\nq-e-qe-7.6/PHonon/examples/example05/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/example05/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/example05/run_example\nq-e-qe-7.6/PHonon/examples/example06/\nq-e-qe-7.6/PHonon/examples/example06/README\nq-e-qe-7.6/PHonon/examples/example06/reference/\nq-e-qe-7.6/PHonon/examples/example06/reference/pt.ph.out\nq-e-qe-7.6/PHonon/examples/example06/reference/pt.phX.out\nq-e-qe-7.6/PHonon/examples/example06/reference/pt.scf_ph.out\nq-e-qe-7.6/PHonon/examples/example06/run_example\nq-e-qe-7.6/PHonon/examples/example07/\nq-e-qe-7.6/PHonon/examples/example07/README\nq-e-qe-7.6/PHonon/examples/example07/reference/\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.phG.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.phX.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.phX2.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.phG.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.phX.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.phX2.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.scf.out\nq-e-qe-7.6/PHonon/examples/example07/reference/pt.phG.out\nq-e-qe-7.6/PHonon/examples/example07/reference/pt.phX.out\nq-e-qe-7.6/PHonon/examples/example07/reference/pt.scf.out\nq-e-qe-7.6/PHonon/examples/example07/run_example\nq-e-qe-7.6/PHonon/examples/example08/\nq-e-qe-7.6/PHonon/examples/example08/README\nq-e-qe-7.6/PHonon/examples/example08/reference/\nq-e-qe-7.6/PHonon/examples/example08/reference/Cu.phG_pbe.out\nq-e-qe-7.6/PHonon/examples/example08/reference/Cu.scf_pbe.out\nq-e-qe-7.6/PHonon/examples/example08/reference/c.phG.out\nq-e-qe-7.6/PHonon/examples/example08/reference/c.phX.out\nq-e-qe-7.6/PHonon/examples/example08/reference/c.scf.out\nq-e-qe-7.6/PHonon/examples/example08/reference/ch4.nm.out\nq-e-qe-7.6/PHonon/examples/example08/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/example08/run_example\nq-e-qe-7.6/PHonon/examples/example09/\nq-e-qe-7.6/PHonon/examples/example09/README\nq-e-qe-7.6/PHonon/examples/example09/reference/\nq-e-qe-7.6/PHonon/examples/example09/reference/ch4.fpol.out\nq-e-qe-7.6/PHonon/examples/example09/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/example09/run_example\nq-e-qe-7.6/PHonon/examples/example10/\nq-e-qe-7.6/PHonon/examples/example10/README\nq-e-qe-7.6/PHonon/examples/example10/reference/\nq-e-qe-7.6/PHonon/examples/example10/reference/c.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/c.scf.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2.scf.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2_nc.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2_nc.scf.out\nq-e-qe-7.6/PHonon/examples/example10/reference/si.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/si.scf.out\nq-e-qe-7.6/PHonon/examples/example10/run_example\nq-e-qe-7.6/PHonon/examples/example11/\nq-e-qe-7.6/PHonon/examples/example11/README\nq-e-qe-7.6/PHonon/examples/example11/reference/\nq-e-qe-7.6/PHonon/examples/example11/reference/Au.phG_pz.out\nq-e-qe-7.6/PHonon/examples/example11/reference/Au.phX_pz.out\nq-e-qe-7.6/PHonon/examples/example11/reference/Au.scf_pz.out\nq-e-qe-7.6/PHonon/examples/example11/run_example\nq-e-qe-7.6/PHonon/examples/example12/\nq-e-qe-7.6/PHonon/examples/example12/README\nq-e-qe-7.6/PHonon/examples/example12/reference/\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4-gga.dyn.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4-gga.nm.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4-gga.scf.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4.dyn.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4.nm.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4.scf.out\nq-e-qe-7.6/PHonon/examples/example12/run_example\nq-e-qe-7.6/PHonon/examples/example13/\nq-e-qe-7.6/PHonon/examples/example13/reference/\nq-e-qe-7.6/PHonon/examples/example13/reference/ni.ph.out\nq-e-qe-7.6/PHonon/examples/example13/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/example13/run_example\nq-e-qe-7.6/PHonon/examples/example14/\nq-e-qe-7.6/PHonon/examples/example14/README\nq-e-qe-7.6/PHonon/examples/example14/reference/\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn0\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn1\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn2\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn3\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn4\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn5\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn6\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn7\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn8\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn.freq\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn0\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn1\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn10\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn11\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn12\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn13\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn14\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn15\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn16\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn17\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn2\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn3\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn4\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn5\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn6\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn7\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn8\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn9\nq-e-qe-7.6/PHonon/examples/example14/reference/al.freq\nq-e-qe-7.6/PHonon/examples/example14/reference/al.freq.gp\nq-e-qe-7.6/PHonon/examples/example14/reference/al.ph.disp.out\nq-e-qe-7.6/PHonon/examples/example14/reference/al.ph.out\nq-e-qe-7.6/PHonon/examples/example14/reference/al.scf.out\nq-e-qe-7.6/PHonon/examples/example14/reference/freq.disp.plot\nq-e-qe-7.6/PHonon/examples/example14/reference/freq.plot\nq-e-qe-7.6/PHonon/examples/example14/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/example14/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/example14/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example14/run_example\nq-e-qe-7.6/PHonon/examples/example15/\nq-e-qe-7.6/PHonon/examples/example15/README\nq-e-qe-7.6/PHonon/examples/example15/reference/\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.dm.in\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.dm.out\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.ph.in\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.ph.out\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.scf.in\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.scf.out\nq-e-qe-7.6/PHonon/examples/example15/reference/dmat.co2\nq-e-qe-7.6/PHonon/examples/example15/reference/dmat.zno\nq-e-qe-7.6/PHonon/examples/example15/reference/dynmat.axsf\nq-e-qe-7.6/PHonon/examples/example15/reference/dynmat.mold\nq-e-qe-7.6/PHonon/examples/example15/reference/dynmat.out\nq-e-qe-7.6/PHonon/examples/example15/reference/plot_command_co2.cmd\nq-e-qe-7.6/PHonon/examples/example15/reference/plot_command_zno.cmd\nq-e-qe-7.6/PHonon/examples/example15/reference/plotdata_co2.dat\nq-e-qe-7.6/PHonon/examples/example15/reference/plotdata_zno.dat\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.dm.in\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.dm.out\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.ph.in\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.ph.out\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.scf.in\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.scf.out\nq-e-qe-7.6/PHonon/examples/example15/run_example\nq-e-qe-7.6/PHonon/examples/example16/\nq-e-qe-7.6/PHonon/examples/example16/README\nq-e-qe-7.6/PHonon/examples/example16/reference/\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.rvv10.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.rvv10.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.rvv10.scf.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.scf.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df.scf.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df2.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df2.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df2.scf.out\nq-e-qe-7.6/PHonon/examples/example16/run_example\nq-e-qe-7.6/PHonon/examples/example17/\nq-e-qe-7.6/PHonon/examples/example17/README\nq-e-qe-7.6/PHonon/examples/example17/reference/\nq-e-qe-7.6/PHonon/examples/example17/reference/al.dispersions.ps\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn0\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn1\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn10\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn2\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn3\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn4\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn5\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn6\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn7\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn8\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn9\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.freq\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.freq.gp\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.ph.disp.in\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.ph.disp.out\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.scf.in\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.scf.out\nq-e-qe-7.6/PHonon/examples/example17/reference/bn881.fc\nq-e-qe-7.6/PHonon/examples/example17/reference/freq.disp.plot\nq-e-qe-7.6/PHonon/examples/example17/reference/freq.disp.ps\nq-e-qe-7.6/PHonon/examples/example17/reference/matdyn.in\nq-e-qe-7.6/PHonon/examples/example17/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/example17/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/example17/reference/plotband.in\nq-e-qe-7.6/PHonon/examples/example17/reference/q2r.in\nq-e-qe-7.6/PHonon/examples/example17/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example17/run_example\nq-e-qe-7.6/PHonon/examples/example18/\nq-e-qe-7.6/PHonon/examples/example18/README\nq-e-qe-7.6/PHonon/examples/example18/reference/\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.dynG\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.dynq\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.phG.in\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.phq.in\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.scf.in\nq-e-qe-7.6/PHonon/examples/example18/run_example\nq-e-qe-7.6/PHonon/examples/example19/\nq-e-qe-7.6/PHonon/examples/example19/README\nq-e-qe-7.6/PHonon/examples/example19/reference/\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.coarse.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.coarse.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.fine.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.fine.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn0\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn1\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn2\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn3\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn4\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ifc\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.modes_coarse\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.modes_fine\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.nscf.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.nscf.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ph.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ph.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.scf.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.scf.out\nq-e-qe-7.6/PHonon/examples/example19/reference/dvscfq2r.in\nq-e-qe-7.6/PHonon/examples/example19/reference/dvscfq2r.out\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.coarse.in\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.coarse.out\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.fine.in\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.fine.out\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.coarse.in\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.coarse.out\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.fine.in\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.fine.out\nq-e-qe-7.6/PHonon/examples/example19/reference/q2r.in\nq-e-qe-7.6/PHonon/examples/example19/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_coarse_imag.dat\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_coarse_real.dat\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_fine_imag.dat\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_fine_real.dat\nq-e-qe-7.6/PHonon/examples/example19/run_example\nq-e-qe-7.6/PHonon/examples/run_all_examples\nq-e-qe-7.6/PHonon/examples/tetra_example/\nq-e-qe-7.6/PHonon/examples/tetra_example/README\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.a2F.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn0\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn1\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn1.elph.1\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn10\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn10.elph.10\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn2\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn2.elph.2\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn3\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn3.elph.3\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn4\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn4.elph.4\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn5\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn5.elph.5\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn6\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn6.elph.6\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn7\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn7.elph.7\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn8\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn8.elph.8\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn9\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn9.elph.9\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.elph.in\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.elph.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.ph.in\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.ph.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.scf.in\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.scf.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/aluminum.McMillan.gp\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/aluminum.a2F.dat\nq-e-qe-7.6/PHonon/examples/tetra_example/run_example\nq-e-qe-7.6/PIOUD/\nq-e-qe-7.6/PIOUD/CMakeLists.txt\nq-e-qe-7.6/PIOUD/Makefile\nq-e-qe-7.6/PIOUD/examples/\nq-e-qe-7.6/PIOUD/examples/clean_all\nq-e-qe-7.6/PIOUD/examples/test_example_diamond/\nq-e-qe-7.6/PIOUD/examples/test_example_diamond/run_example\nq-e-qe-7.6/PIOUD/examples/test_example_diamond/script_sub\nq-e-qe-7.6/PIOUD/src/\nq-e-qe-7.6/PIOUD/src/Makefile\nq-e-qe-7.6/PIOUD/src/compute_scf_pioud.f90\nq-e-qe-7.6/PIOUD/src/engine_to_trpmd_nat_alat.f90\nq-e-qe-7.6/PIOUD/src/engine_to_trpmd_pos.f90\nq-e-qe-7.6/PIOUD/src/fcp_opt_routines.f90\nq-e-qe-7.6/PIOUD/src/fcp_variables.f90\nq-e-qe-7.6/PIOUD/src/make.depend\nq-e-qe-7.6/PIOUD/src/makedeps.sh\nq-e-qe-7.6/PIOUD/src/pimd_subrout.f90\nq-e-qe-7.6/PIOUD/src/pimd_utils.f90\nq-e-qe-7.6/PIOUD/src/pimd_variables.f90\nq-e-qe-7.6/PIOUD/src/pioud.f90\nq-e-qe-7.6/PIOUD/src/pw_gen_inputs.f90\nq-e-qe-7.6/PIOUD/src/ring_formats.f90\nq-e-qe-7.6/PIOUD/src/ring_input_parameters_module.f90\nq-e-qe-7.6/PIOUD/src/ring_io_units_module.f90\nq-e-qe-7.6/PIOUD/src/ring_variables.f90\nq-e-qe-7.6/PIOUD/src/set_defaults.f90\nq-e-qe-7.6/PIOUD/src/stop_run_path.f90\nq-e-qe-7.6/PIOUD/src/trpmd_base.f90\nq-e-qe-7.6/PIOUD/src/trpmd_io_routines.f90\nq-e-qe-7.6/PP/\nq-e-qe-7.6/PP/CMakeLists.txt\nq-e-qe-7.6/PP/Doc/\nq-e-qe-7.6/PP/Doc/INPUT_BANDS.def\nq-e-qe-7.6/PP/Doc/INPUT_BAND_INTERPOLATION.def\nq-e-qe-7.6/PP/Doc/INPUT_D3HESS.def\nq-e-qe-7.6/PP/Doc/INPUT_DOS.def\nq-e-qe-7.6/PP/Doc/INPUT_OSCDFT_ET.def\nq-e-qe-7.6/PP/Doc/INPUT_OSCDFT_PP.def\nq-e-qe-7.6/PP/Doc/INPUT_PP.def\nq-e-qe-7.6/PP/Doc/INPUT_PPACF.def\nq-e-qe-7.6/PP/Doc/INPUT_PPRISM.def\nq-e-qe-7.6/PP/Doc/INPUT_PROJWFC.def\nq-e-qe-7.6/PP/Doc/INPUT_bgw2pw.def\nq-e-qe-7.6/PP/Doc/INPUT_molecularpdos.def\nq-e-qe-7.6/PP/Doc/INPUT_pw2bgw.def\nq-e-qe-7.6/PP/Doc/INPUT_pw2gw.def\nq-e-qe-7.6/PP/Doc/INPUT_pw2wannier90.def\nq-e-qe-7.6/PP/Doc/INPUT_wannier2pw.def\nq-e-qe-7.6/PP/Doc/Makefile\nq-e-qe-7.6/PP/Doc/eps_man.tex\nq-e-qe-7.6/PP/Doc/user_guide.tex\nq-e-qe-7.6/PP/Makefile\nq-e-qe-7.6/PP/examples/\nq-e-qe-7.6/PP/examples/ACF_example/\nq-e-qe-7.6/PP/examples/ACF_example/README\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/atoms.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/atoms.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_fock.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_fock.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_plot.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_plot.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_scale.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_scale.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/atoms.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/atoms.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/atoms_ppacf.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_fock.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_fock.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_plot.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_plot.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_scale.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_scale.out\nq-e-qe-7.6/PP/examples/ACF_example/run_example\nq-e-qe-7.6/PP/examples/BGW_example/\nq-e-qe-7.6/PP/examples/BGW_example/README\nq-e-qe-7.6/PP/examples/BGW_example/references/\nq-e-qe-7.6/PP/examples/BGW_example/references/si.pw2bgw.in\nq-e-qe-7.6/PP/examples/BGW_example/references/si.pw2bgw.out\nq-e-qe-7.6/PP/examples/BGW_example/references/si.scf.in\nq-e-qe-7.6/PP/examples/BGW_example/references/si.scf.out\nq-e-qe-7.6/PP/examples/BGW_example/references/vxc.dat\nq-e-qe-7.6/PP/examples/BGW_example/references/vxc0.dat\nq-e-qe-7.6/PP/examples/BGW_example/run_example\nq-e-qe-7.6/PP/examples/CLS_FS_example/\nq-e-qe-7.6/PP/examples/CLS_FS_example/README\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/final-state.txt\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/rh011bulk.scf.out\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/rh011layer1.scf.out\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/rh011surf.scf.out\nq-e-qe-7.6/PP/examples/CLS_FS_example/run_example\nq-e-qe-7.6/PP/examples/CLS_IS_example/\nq-e-qe-7.6/PP/examples/CLS_IS_example/README\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/initial-state.txt\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/rh011slab.istate.out\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/rh011slab.scf.out\nq-e-qe-7.6/PP/examples/CLS_IS_example/run_example\nq-e-qe-7.6/PP/examples/ForceTheorem_example/\nq-e-qe-7.6/PP/examples/ForceTheorem_example/README\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/eband_par.dat\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/eband_per.dat\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/par.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/per.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/proj_par.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/proj_per.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/sr.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/run_example\nq-e-qe-7.6/PP/examples/MolDos_example/\nq-e-qe-7.6/PP/examples/MolDos_example/README\nq-e-qe-7.6/PP/examples/MolDos_example/reference/\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.bands.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.k.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.scf.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.bands.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.k.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.scf.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2_onto_H2.k.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2_onto_H2.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/gnuplot.tmp\nq-e-qe-7.6/PP/examples/MolDos_example/reference/project_chainH2_onto_H2.ps\nq-e-qe-7.6/PP/examples/MolDos_example/run_example\nq-e-qe-7.6/PP/examples/README\nq-e-qe-7.6/PP/examples/W90_open_grid_example/\nq-e-qe-7.6/PP/examples/W90_open_grid_example/README\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.lib.win\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.openg.sa.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.openg.sa.out\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.lib.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.sa.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.sa.out\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.eig\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.nnkp\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.win\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.wout\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.scf.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.scf.out\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/k_points.txt\nq-e-qe-7.6/PP/examples/W90_open_grid_example/run_example\nq-e-qe-7.6/PP/examples/WAN90_example/\nq-e-qe-7.6/PP/examples/WAN90_example/README\nq-e-qe-7.6/PP/examples/WAN90_example/reference/\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.lib.win\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.lib.wout\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.nscf.out\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.pw2wan.lib.out\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.pw2wan.sa.out\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.eig\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.nnkp\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.win\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.wout\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.scf.out\nq-e-qe-7.6/PP/examples/WAN90_example/run_example\nq-e-qe-7.6/PP/examples/WannierHam_example/\nq-e-qe-7.6/PP/examples/WannierHam_example/README\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/NiO.nscf.out\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/NiO.scf.out\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/hamilt.gz\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/wannier_hamilt.out\nq-e-qe-7.6/PP/examples/WannierHam_example/run_example\nq-e-qe-7.6/PP/examples/WorkFct_example/\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.avg.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.avg.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.pp.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.pp.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.avg.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.avg.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.pot\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.pp.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.pp.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.wf.data\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.wf.eps\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Albulkrefpot\nq-e-qe-7.6/PP/examples/WorkFct_example/run_example\nq-e-qe-7.6/PP/examples/clean_all\nq-e-qe-7.6/PP/examples/dipole_example/\nq-e-qe-7.6/PP/examples/dipole_example/README\nq-e-qe-7.6/PP/examples/dipole_example/reference/\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.avg.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.eps\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.pp.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.pp.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.scf.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.scf.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.vpot-z\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.avg.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.eps\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.pp.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.pp.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.scf.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.scf.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.vpot-z\nq-e-qe-7.6/PP/examples/dipole_example/run_example\nq-e-qe-7.6/PP/examples/example01/\nq-e-qe-7.6/PP/examples/example01/README\nq-e-qe-7.6/PP/examples/example01/reference/\nq-e-qe-7.6/PP/examples/example01/reference/si.band.out\nq-e-qe-7.6/PP/examples/example01/reference/si.bands.out\nq-e-qe-7.6/PP/examples/example01/reference/si.plotband.out\nq-e-qe-7.6/PP/examples/example01/reference/si.plotrho.out\nq-e-qe-7.6/PP/examples/example01/reference/si.pp_rho.out\nq-e-qe-7.6/PP/examples/example01/reference/si.rho.dat\nq-e-qe-7.6/PP/examples/example01/reference/si.rho.ps\nq-e-qe-7.6/PP/examples/example01/reference/si.scf.out\nq-e-qe-7.6/PP/examples/example01/reference/sibands.dat\nq-e-qe-7.6/PP/examples/example01/reference/sibands.dat.rap\nq-e-qe-7.6/PP/examples/example01/reference/sibands.ps\nq-e-qe-7.6/PP/examples/example01/reference/sicharge\nq-e-qe-7.6/PP/examples/example01/run_example\nq-e-qe-7.6/PP/examples/example02/\nq-e-qe-7.6/PP/examples/example02/README\nq-e-qe-7.6/PP/examples/example02/reference/\nq-e-qe-7.6/PP/examples/example02/reference/FS.in\nq-e-qe-7.6/PP/examples/example02/reference/FS.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos2.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos2.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_NSP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_NSP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_SP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_SP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos_atm#1(Ni)_wfc#1(s)\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos_atm#1(Ni)_wfc#2(d)\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos_tot\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf0.NSP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf0.SP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf_NSP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf_SP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni_fs.bxsf\nq-e-qe-7.6/PP/examples/example02/reference/ni_fsdw.bxsf\nq-e-qe-7.6/PP/examples/example02/reference/ni_fsup.bxsf\nq-e-qe-7.6/PP/examples/example02/run_example\nq-e-qe-7.6/PP/examples/example03/\nq-e-qe-7.6/PP/examples/example03/README\nq-e-qe-7.6/PP/examples/example03/reference/\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110+1.0eV.ps\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110-1.0eV.ps\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.box.projwfc.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.box.projwfc.ps\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.ldos_boxes\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.pp_stm+.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.pp_stm-.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110re.nonscf.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110re.scf.out\nq-e-qe-7.6/PP/examples/example03/run_example\nq-e-qe-7.6/PP/examples/example04/\nq-e-qe-7.6/PP/examples/example04/README\nq-e-qe-7.6/PP/examples/example04/reference/\nq-e-qe-7.6/PP/examples/example04/reference/pt.bands.out\nq-e-qe-7.6/PP/examples/example04/reference/pt.nscf.out\nq-e-qe-7.6/PP/examples/example04/reference/pt.pdos.out\nq-e-qe-7.6/PP/examples/example04/reference/pt.scf.out\nq-e-qe-7.6/PP/examples/example04/run_example\nq-e-qe-7.6/PP/examples/example05/\nq-e-qe-7.6/PP/examples/example05/README\nq-e-qe-7.6/PP/examples/example05/reference/\nq-e-qe-7.6/PP/examples/example05/reference/feo_LDA.in\nq-e-qe-7.6/PP/examples/example05/reference/feo_wannier.in\nq-e-qe-7.6/PP/examples/example05/reference/pmw.in\nq-e-qe-7.6/PP/examples/example05/run_example\nq-e-qe-7.6/PP/examples/example06/\nq-e-qe-7.6/PP/examples/example06/README\nq-e-qe-7.6/PP/examples/example06/reference/\nq-e-qe-7.6/PP/examples/example06/reference/Fe.band_pbe.out\nq-e-qe-7.6/PP/examples/example06/reference/Fe.bands.out\nq-e-qe-7.6/PP/examples/example06/reference/Fe.scf_pbe.out\nq-e-qe-7.6/PP/examples/example06/reference/fe.bands.ps\nq-e-qe-7.6/PP/examples/example06/reference/plotband.out\nq-e-qe-7.6/PP/examples/example06/run_example\nq-e-qe-7.6/PP/examples/example07/\nq-e-qe-7.6/PP/examples/example07/README\nq-e-qe-7.6/PP/examples/example07/reference1/\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.nscf.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.pw2wan.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.scf-wan.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.scf.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.wan2pw.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.win\nq-e-qe-7.6/PP/examples/example07/reference2/\nq-e-qe-7.6/PP/examples/example07/reference2/MnO.nscf.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO.scf-wan.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO.scf.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_down.pw2wan.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_down.wan2pw.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_down.win\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_up.pw2wan.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_up.wan2pw.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_up.win\nq-e-qe-7.6/PP/examples/example07/run_example1\nq-e-qe-7.6/PP/examples/example07/run_example2\nq-e-qe-7.6/PP/examples/example08/\nq-e-qe-7.6/PP/examples/example08/README\nq-e-qe-7.6/PP/examples/example08/reference/\nq-e-qe-7.6/PP/examples/example08/reference/TiO2.pp.in\nq-e-qe-7.6/PP/examples/example08/reference/TiO2.scf.in\nq-e-qe-7.6/PP/examples/example08/run_example\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/README\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier-diff.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/log.pbe0.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/out.fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/out.fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/pbe0.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier-diff.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/log.pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/out.fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/out.fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw-sphere.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw-sphere.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/log.pbe.scf.nosym.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/out.idw-sphere.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/out.idw.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/pbe.scf.nosym.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.bands.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.nscf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.pp.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat.gnu\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat.rap\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.nscf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.pp.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/README\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/bands.dat\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.bands.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.bands.out\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.plotband.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.plotband.out\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.scf.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.scf.out\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/sibands-p.dat\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/sibands.dat\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/sibands.dat.gnu\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/run_example\nq-e-qe-7.6/PP/examples/fermisurf_example/\nq-e-qe-7.6/PP/examples/fermisurf_example/README\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/FS_b2pz.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/FS_vf.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/b2pz.frmsf\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#1(Mg)_wfc#1(s)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#1(Mg)_wfc#2(p)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#2(B)_wfc#1(s)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#2(B)_wfc#2(p)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#3(B)_wfc#1(s)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#3(B)_wfc#2(p)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_tot\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.proj.in\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.proj.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.scf.in\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.scf.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/vfermi.frmsf\nq-e-qe-7.6/PP/examples/fermisurf_example/run_example\nq-e-qe-7.6/PP/examples/projected_bands_example/\nq-e-qe-7.6/PP/examples/projected_bands_example/README\nq-e-qe-7.6/PP/examples/projected_bands_example/projwfc_to_bands.awk\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/ni.kpdos_dw.png\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/ni.kpdos_up.png\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/pt.s-bands.png\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/silicene.projbands.png\nq-e-qe-7.6/PP/examples/projected_bands_example/run_example\nq-e-qe-7.6/PP/examples/pw2gw_example/\nq-e-qe-7.6/PP/examples/pw2gw_example/README\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/bn.nscf.out.xz\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/bn.pw2gw.out.xz\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/bn.scf.out\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsTOT.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsX.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsY.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsZ.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/k.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/matrixelements.xz\nq-e-qe-7.6/PP/examples/pw2gw_example/run_example\nq-e-qe-7.6/PP/examples/run_all_examples\nq-e-qe-7.6/PP/simple_transport/\nq-e-qe-7.6/PP/simple_transport/README\nq-e-qe-7.6/PP/simple_transport/examples/\nq-e-qe-7.6/PP/simple_transport/examples/eg_ef/\nq-e-qe-7.6/PP/simple_transport/examples/eg_ef/out.32\nq-e-qe-7.6/PP/simple_transport/examples/eg_ef/run_ef\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/README\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/Def_0.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/Se_0.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/sig_0.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/run_0\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/README\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/dop_vs_ef\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+18.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+19.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+20.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+21.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+18.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+19.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+20.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+21.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+18\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+19\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+20\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+21\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+18.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+19.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+20.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+21.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/run_1\nq-e-qe-7.6/PP/simple_transport/examples/scf/\nq-e-qe-7.6/PP/simple_transport/examples/scf/As.pbe-n-kjpaw_psl.0.2.upf\nq-e-qe-7.6/PP/simple_transport/examples/scf/Ga.pbe-dn-kjpaw_psl.0.2.upf\nq-e-qe-7.6/PP/simple_transport/examples/scf/info-q\nq-e-qe-7.6/PP/simple_transport/examples/scf/reference/\nq-e-qe-7.6/PP/simple_transport/examples/scf/reference/GaAs.32.a2Fsave\nq-e-qe-7.6/PP/simple_transport/examples/scf/reference/GaAs.scf.out\nq-e-qe-7.6/PP/simple_transport/examples/scf/run_GaAs_scf\nq-e-qe-7.6/PP/simple_transport/src/\nq-e-qe-7.6/PP/simple_transport/src/Makefile\nq-e-qe-7.6/PP/simple_transport/src/cryst_to_car.f90\nq-e-qe-7.6/PP/simple_transport/src/dos.f90\nq-e-qe-7.6/PP/simple_transport/src/ef.f90\nq-e-qe-7.6/PP/simple_transport/src/fermi_int_0.f90\nq-e-qe-7.6/PP/simple_transport/src/fermi_int_1.f90\nq-e-qe-7.6/PP/simple_transport/src/lint.f90\nq-e-qe-7.6/PP/simple_transport/src/reducegrid.f90\nq-e-qe-7.6/PP/simple_transport/src/smearing_mod.f90\nq-e-qe-7.6/PP/simple_transport/src/vband_ibz.f90\nq-e-qe-7.6/PP/src/\nq-e-qe-7.6/PP/src/Makefile\nq-e-qe-7.6/PP/src/add_shift_cc.f90\nq-e-qe-7.6/PP/src/add_shift_lc.f90\nq-e-qe-7.6/PP/src/add_shift_us.f90\nq-e-qe-7.6/PP/src/adduscore.f90\nq-e-qe-7.6/PP/src/addusdens1d.f90\nq-e-qe-7.6/PP/src/average.f90\nq-e-qe-7.6/PP/src/band_interpolation.f90\nq-e-qe-7.6/PP/src/bands.f90\nq-e-qe-7.6/PP/src/bgw2pw.f90.orig\nq-e-qe-7.6/PP/src/chdens_bspline.f90\nq-e-qe-7.6/PP/src/chdens_bspline_sphere.f90\nq-e-qe-7.6/PP/src/chdens_module.f90\nq-e-qe-7.6/PP/src/compute_ppsi.f90\nq-e-qe-7.6/PP/src/compute_sigma_avg.f90\nq-e-qe-7.6/PP/src/cube.f90\nq-e-qe-7.6/PP/src/d3hess.f90\nq-e-qe-7.6/PP/src/d_matrix_nc.f90\nq-e-qe-7.6/PP/src/d_matrix_so.f90\nq-e-qe-7.6/PP/src/do_initial_state.f90\nq-e-qe-7.6/PP/src/do_shift_ew.f90\nq-e-qe-7.6/PP/src/dos.f90\nq-e-qe-7.6/PP/src/dosg.f90\nq-e-qe-7.6/PP/src/elf.f90\nq-e-qe-7.6/PP/src/epsilon.f90\nq-e-qe-7.6/PP/src/fermi_proj.f90\nq-e-qe-7.6/PP/src/fermi_velocity.f90\nq-e-qe-7.6/PP/src/fermisurface.f90\nq-e-qe-7.6/PP/src/fermisurfer_common.f90\nq-e-qe-7.6/PP/src/fft_interpolation_mod.f90\nq-e-qe-7.6/PP/src/fouriermod.f90\nq-e-qe-7.6/PP/src/ggen1d.f90\nq-e-qe-7.6/PP/src/globalmod.f90\nq-e-qe-7.6/PP/src/hubbard_projectors.f90\nq-e-qe-7.6/PP/src/idwmod.f90\nq-e-qe-7.6/PP/src/initial_state.f90\nq-e-qe-7.6/PP/src/lebedev.f90\nq-e-qe-7.6/PP/src/local_dos.f90\nq-e-qe-7.6/PP/src/local_dos1d.f90\nq-e-qe-7.6/PP/src/local_dos_mag.f90\nq-e-qe-7.6/PP/src/molecularpdos.f90\nq-e-qe-7.6/PP/src/open_grid.f90\nq-e-qe-7.6/PP/src/openfil_pp.f90\nq-e-qe-7.6/PP/src/oscdft_et.f90\nq-e-qe-7.6/PP/src/oscdft_et_mod.f90\nq-e-qe-7.6/PP/src/oscdft_pp.f90\nq-e-qe-7.6/PP/src/oscdft_pp_mod.f90\nq-e-qe-7.6/PP/src/partialdos.f90\nq-e-qe-7.6/PP/src/paw_postproc.f90\nq-e-qe-7.6/PP/src/pawplot.f90\nq-e-qe-7.6/PP/src/plan_avg.f90\nq-e-qe-7.6/PP/src/plotband.f90\nq-e-qe-7.6/PP/src/plotproj.f90\nq-e-qe-7.6/PP/src/plotrho.f90\nq-e-qe-7.6/PP/src/poormanwannier.f90\nq-e-qe-7.6/PP/src/postproc.f90\nq-e-qe-7.6/PP/src/postrism.f90\nq-e-qe-7.6/PP/src/pp_example.f90\nq-e-qe-7.6/PP/src/ppacf.f90\nq-e-qe-7.6/PP/src/projections_mod.f90\nq-e-qe-7.6/PP/src/projwfc.f90\nq-e-qe-7.6/PP/src/projwfc_box.f90\nq-e-qe-7.6/PP/src/punch_plot.f90\nq-e-qe-7.6/PP/src/punch_rism.f90\nq-e-qe-7.6/PP/src/pw2bgw.f90\nq-e-qe-7.6/PP/src/pw2critic.f90\nq-e-qe-7.6/PP/src/pw2gt.f90\nq-e-qe-7.6/PP/src/pw2gw.f90\nq-e-qe-7.6/PP/src/pw2wannier90.f90\nq-e-qe-7.6/PP/src/read_proj.f90\nq-e-qe-7.6/PP/src/smallgk.f90\nq-e-qe-7.6/PP/src/solvdens.f90\nq-e-qe-7.6/PP/src/stm.f90\nq-e-qe-7.6/PP/src/stop_pp.f90\nq-e-qe-7.6/PP/src/sum_band_kin.f90\nq-e-qe-7.6/PP/src/sumpdos.f90\nq-e-qe-7.6/PP/src/sym_band.f90\nq-e-qe-7.6/PP/src/vasp_read_chgcar_mod.f90\nq-e-qe-7.6/PP/src/vasp_xml_module.f90\nq-e-qe-7.6/PP/src/wannier2pw.f90\nq-e-qe-7.6/PP/src/wannier_enrg.f90\nq-e-qe-7.6/PP/src/wannier_ham.f90\nq-e-qe-7.6/PP/src/wannier_mod.f90\nq-e-qe-7.6/PP/src/wannier_plot.f90\nq-e-qe-7.6/PP/src/wannier_proj.f90\nq-e-qe-7.6/PP/src/wfck2r.f90\nq-e-qe-7.6/PP/src/work_function.f90\nq-e-qe-7.6/PP/src/write_hamiltonians.f90\nq-e-qe-7.6/PP/src/write_io_header.f90\nq-e-qe-7.6/PP/src/write_p_avg.f90\nq-e-qe-7.6/PP/src/write_proj.f90\nq-e-qe-7.6/PP/src/xc_vdW_scale_mod.f90\nq-e-qe-7.6/PP/tools/\nq-e-qe-7.6/PP/tools/sum_states.py\nq-e-qe-7.6/PW/\nq-e-qe-7.6/PW/CMakeLists.txt\nq-e-qe-7.6/PW/Doc/\nq-e-qe-7.6/PW/Doc/INPUT_OSCDFT.def\nq-e-qe-7.6/PW/Doc/INPUT_PW.def\nq-e-qe-7.6/PW/Doc/Makefile\nq-e-qe-7.6/PW/Doc/user_guide.tex\nq-e-qe-7.6/PW/Ford.md\nq-e-qe-7.6/PW/Ford/\nq-e-qe-7.6/PW/Ford/index.md\nq-e-qe-7.6/PW/Makefile\nq-e-qe-7.6/PW/examples/\nq-e-qe-7.6/PW/examples/ESM_example/\nq-e-qe-7.6/PW/examples/ESM_example/README\nq-e-qe-7.6/PW/examples/ESM_example/reference/\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc1.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc1.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc1.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_efield.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_efield.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_efield.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_m002.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_m002.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_m002.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_p002.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_p002.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_p002.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_pbc.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_pbc.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_pbc.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_bc1.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_bc1.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_bc1.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_pbc.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_pbc.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_pbc.xml\nq-e-qe-7.6/PW/examples/ESM_example/run_example\nq-e-qe-7.6/PW/examples/ESM_example/run_example_ESM\nq-e-qe-7.6/PW/examples/ESM_example/run_example_FCP\nq-e-qe-7.6/PW/examples/ESM_example/run_example_GCSCF\nq-e-qe-7.6/PW/examples/EXX_example/\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/CPBE085nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/CPBE1nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/NPBE085nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/NPBE1nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/OPBE085nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/OPBE1nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/README\nq-e-qe-7.6/PW/examples/EXX_example/README.gaupbe\nq-e-qe-7.6/PW/examples/EXX_example/reference/\nq-e-qe-7.6/PW/examples/EXX_example/reference/c.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/c.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/c.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/co.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/co.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/co.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n2.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n2.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n2.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o2.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o2.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o2.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.PBE0_nq=1.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.PBE0_nq=2.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.PBE0_nq=4.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.gaupbe_nq=1.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.gaupbe_nq=2.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.gaupbe_nq=4.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.hse_nq=1.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.hse_nq=2.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.hse_nq=4.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/summarize\nq-e-qe-7.6/PW/examples/EXX_example/run_example\nq-e-qe-7.6/PW/examples/Extffield_example/\nq-e-qe-7.6/PW/examples/Extffield_example/README\nq-e-qe-7.6/PW/examples/Extffield_example/reference/\nq-e-qe-7.6/PW/examples/Extffield_example/reference/SiH4.extffield\nq-e-qe-7.6/PW/examples/Extffield_example/reference/SiH4.inp\nq-e-qe-7.6/PW/examples/Extffield_example/reference/SiH4.out\nq-e-qe-7.6/PW/examples/Extffield_example/reference/extffield.dat\nq-e-qe-7.6/PW/examples/Extffield_example/run_example\nq-e-qe-7.6/PW/examples/README\nq-e-qe-7.6/PW/examples/RISM_example/\nq-e-qe-7.6/PW/examples/RISM_example/MOL/\nq-e-qe-7.6/PW/examples/RISM_example/MOL/Cl-.aq.MOL\nq-e-qe-7.6/PW/examples/RISM_example/MOL/Ethanol.oplsua.MOL\nq-e-qe-7.6/PW/examples/RISM_example/MOL/H2O.spc.MOL\nq-e-qe-7.6/PW/examples/RISM_example/MOL/Na+.aq.MOL\nq-e-qe-7.6/PW/examples/RISM_example/README\nq-e-qe-7.6/PW/examples/RISM_example/reference/\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.esm1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.rism1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.esm1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.rism1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/H2O.NaCl_aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/H2O.NaCl_aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/H2O.NaCl_aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/HCHO.aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/HCHO.aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/HCHO.aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.esm1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.rism1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.xml\nq-e-qe-7.6/PW/examples/RISM_example/run_example\nq-e-qe-7.6/PW/examples/RISM_example/run_example_3D-RISM\nq-e-qe-7.6/PW/examples/RISM_example/run_example_ESM-RISM\nq-e-qe-7.6/PW/examples/VCSexample/\nq-e-qe-7.6/PW/examples/VCSexample/README\nq-e-qe-7.6/PW/examples/VCSexample/reference/\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.bfgs00.out\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.bfgs500.out\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.vcs00.out\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.vcs500.out\nq-e-qe-7.6/PW/examples/VCSexample/run_example\nq-e-qe-7.6/PW/examples/clean_all\nq-e-qe-7.6/PW/examples/cluster_example/\nq-e-qe-7.6/PW/examples/cluster_example/README\nq-e-qe-7.6/PW/examples/cluster_example/reference/\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.eigenvalues\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-12\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-16\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-20\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-24\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.eigenvalues\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-12\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-16\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-20\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-24\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.eigenvalues\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-12\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-16\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-20\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-24\nq-e-qe-7.6/PW/examples/cluster_example/run_example\nq-e-qe-7.6/PW/examples/dftd3_example/\nq-e-qe-7.6/PW/examples/dftd3_example/reference/\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d2.in\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d2.out\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d3.in\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d3.out\nq-e-qe-7.6/PW/examples/dftd3_example/run_example\nq-e-qe-7.6/PW/examples/example01/\nq-e-qe-7.6/PW/examples/example01/README\nq-e-qe-7.6/PW/examples/example01/reference/\nq-e-qe-7.6/PW/examples/example01/reference/al.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/al.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/al.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/al.scf.david.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.scf.david.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.scf.david.out\nq-e-qe-7.6/PW/examples/example01/reference/si.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/si.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/si.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/si.scf.david.out\nq-e-qe-7.6/PW/examples/example01/run_example\nq-e-qe-7.6/PW/examples/example02/\nq-e-qe-7.6/PW/examples/example02/README\nq-e-qe-7.6/PW/examples/example02/reference/\nq-e-qe-7.6/PW/examples/example02/reference/al001.mm.out\nq-e-qe-7.6/PW/examples/example02/reference/al001.rx.out\nq-e-qe-7.6/PW/examples/example02/reference/co.rx.out\nq-e-qe-7.6/PW/examples/example02/run_example\nq-e-qe-7.6/PW/examples/example03/\nq-e-qe-7.6/PW/examples/example03/README\nq-e-qe-7.6/PW/examples/example03/reference/\nq-e-qe-7.6/PW/examples/example03/reference/si.md2.out\nq-e-qe-7.6/PW/examples/example03/reference/si.md2_G3X.out\nq-e-qe-7.6/PW/examples/example03/reference/si.md8.out\nq-e-qe-7.6/PW/examples/example03/run_example\nq-e-qe-7.6/PW/examples/example04/\nq-e-qe-7.6/PW/examples/example04/README\nq-e-qe-7.6/PW/examples/example04/reference/\nq-e-qe-7.6/PW/examples/example04/reference/BP.out\nq-e-qe-7.6/PW/examples/example04/reference/chg.out\nq-e-qe-7.6/PW/examples/example04/run_example\nq-e-qe-7.6/PW/examples/example05/\nq-e-qe-7.6/PW/examples/example05/README\nq-e-qe-7.6/PW/examples/example05/reference/\nq-e-qe-7.6/PW/examples/example05/reference/Ni_gamma_d8s2.out\nq-e-qe-7.6/PW/examples/example05/reference/Ni_gamma_d9s1.out\nq-e-qe-7.6/PW/examples/example05/reference/O.out\nq-e-qe-7.6/PW/examples/example05/reference/O_gamma.out\nq-e-qe-7.6/PW/examples/example05/reference/al.out\nq-e-qe-7.6/PW/examples/example05/run_example\nq-e-qe-7.6/PW/examples/example06/\nq-e-qe-7.6/PW/examples/example06/README\nq-e-qe-7.6/PW/examples/example06/reference/\nq-e-qe-7.6/PW/examples/example06/reference/cu.band.out\nq-e-qe-7.6/PW/examples/example06/reference/cu.cg.out\nq-e-qe-7.6/PW/examples/example06/reference/cu.scf.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.angl.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.band.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.pen.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.scf.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.total.out\nq-e-qe-7.6/PW/examples/example06/reference/ni.band.out\nq-e-qe-7.6/PW/examples/example06/reference/ni.scf.out\nq-e-qe-7.6/PW/examples/example06/reference/o2.relax.out\nq-e-qe-7.6/PW/examples/example06/run_example\nq-e-qe-7.6/PW/examples/example07/\nq-e-qe-7.6/PW/examples/example07/README\nq-e-qe-7.6/PW/examples/example07/reference/\nq-e-qe-7.6/PW/examples/example07/reference/bands.pt.re\nq-e-qe-7.6/PW/examples/example07/reference/pt.nscf.out\nq-e-qe-7.6/PW/examples/example07/reference/pt.scf.out\nq-e-qe-7.6/PW/examples/example07/run_example\nq-e-qe-7.6/PW/examples/example08/\nq-e-qe-7.6/PW/examples/example08/README\nq-e-qe-7.6/PW/examples/example08/reference/\nq-e-qe-7.6/PW/examples/example08/reference/feo_LDA.in\nq-e-qe-7.6/PW/examples/example08/reference/feo_standard.in\nq-e-qe-7.6/PW/examples/example08/reference/feo_user_ns.in\nq-e-qe-7.6/PW/examples/example08/run_example\nq-e-qe-7.6/PW/examples/example09/\nq-e-qe-7.6/PW/examples/example09/README\nq-e-qe-7.6/PW/examples/example09/reference/\nq-e-qe-7.6/PW/examples/example09/reference/c4h6.pw.metaGGA.out\nq-e-qe-7.6/PW/examples/example09/run_example\nq-e-qe-7.6/PW/examples/example10/\nq-e-qe-7.6/PW/examples/example10/README\nq-e-qe-7.6/PW/examples/example10/reference/\nq-e-qe-7.6/PW/examples/example10/reference/alas.scf.efield.out\nq-e-qe-7.6/PW/examples/example10/reference/alas.scf.efield2.out\nq-e-qe-7.6/PW/examples/example10/reference/si.scf.efield.out\nq-e-qe-7.6/PW/examples/example10/reference/si.scf.efield2.out\nq-e-qe-7.6/PW/examples/example10/run_example\nq-e-qe-7.6/PW/examples/example11/\nq-e-qe-7.6/PW/examples/example11/README\nq-e-qe-7.6/PW/examples/example11/reference/\nq-e-qe-7.6/PW/examples/example11/reference/Fe.band_pbe.out\nq-e-qe-7.6/PW/examples/example11/reference/Fe.scf_pbe.out\nq-e-qe-7.6/PW/examples/example11/run_example\nq-e-qe-7.6/PW/examples/example12/\nq-e-qe-7.6/PW/examples/example12/README\nq-e-qe-7.6/PW/examples/example12/reference/\nq-e-qe-7.6/PW/examples/example12/reference/Fe.bands.in\nq-e-qe-7.6/PW/examples/example12/reference/Fe.bands.out\nq-e-qe-7.6/PW/examples/example12/reference/Fe.scf.in\nq-e-qe-7.6/PW/examples/example12/reference/Fe.scf.out\nq-e-qe-7.6/PW/examples/example12/run_example\nq-e-qe-7.6/PW/examples/example13/\nq-e-qe-7.6/PW/examples/example13/reference/\nq-e-qe-7.6/PW/examples/example13/reference/LiCoO2.scf.in\nq-e-qe-7.6/PW/examples/example13/reference/LiCoO2.scf.out\nq-e-qe-7.6/PW/examples/example13/run_example\nq-e-qe-7.6/PW/examples/example14/\nq-e-qe-7.6/PW/examples/example14/README\nq-e-qe-7.6/PW/examples/example14/reference/\nq-e-qe-7.6/PW/examples/example14/reference/srvo3.dmft_scf.out\nq-e-qe-7.6/PW/examples/example14/reference/srvo3.nscf.out\nq-e-qe-7.6/PW/examples/example14/reference/srvo3.scf.out\nq-e-qe-7.6/PW/examples/example14/run_example\nq-e-qe-7.6/PW/examples/example14/srvo3_dmft.h5\nq-e-qe-7.6/PW/examples/example15/\nq-e-qe-7.6/PW/examples/example15/README\nq-e-qe-7.6/PW/examples/example15/reference1/\nq-e-qe-7.6/PW/examples/example15/reference1/FeO.scf.in\nq-e-qe-7.6/PW/examples/example15/reference1/oscdft.in\nq-e-qe-7.6/PW/examples/example15/reference2/\nq-e-qe-7.6/PW/examples/example15/reference2/FeO.scf.in\nq-e-qe-7.6/PW/examples/example15/reference2/oscdft.in\nq-e-qe-7.6/PW/examples/example15/run1\nq-e-qe-7.6/PW/examples/example15/run2\nq-e-qe-7.6/PW/examples/example16/\nq-e-qe-7.6/PW/examples/example16/README\nq-e-qe-7.6/PW/examples/example16/reference/\nq-e-qe-7.6/PW/examples/example16/reference/LiCoO2.scf.1.in\nq-e-qe-7.6/PW/examples/example16/reference/LiCoO2.scf.2.in\nq-e-qe-7.6/PW/examples/example16/run_example\nq-e-qe-7.6/PW/examples/example17/\nq-e-qe-7.6/PW/examples/example17/README\nq-e-qe-7.6/PW/examples/example17/reference/\nq-e-qe-7.6/PW/examples/example17/reference/LiCoO2.scf.in\nq-e-qe-7.6/PW/examples/example17/run_example\nq-e-qe-7.6/PW/examples/gammaDFT_example/\nq-e-qe-7.6/PW/examples/gammaDFT_example/README\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/MgO_1.in\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/MgO_2.in\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/MgO_3.in\nq-e-qe-7.6/PW/examples/gammaDFT_example/run_example\nq-e-qe-7.6/PW/examples/gatefield/\nq-e-qe-7.6/PW/examples/gatefield/reference/\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.bands.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.bands.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.bands.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.bands.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_-0.10.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_-0.10.out\nq-e-qe-7.6/PW/examples/gatefield/run_example\nq-e-qe-7.6/PW/examples/run_all_examples\nq-e-qe-7.6/PW/examples/vdwDF_example/\nq-e-qe-7.6/PW/examples/vdwDF_example/README\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/Ar.scf.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/graphite.scf.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/water.scf.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/graphite.scf.+1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/graphite.scf.-1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/graphite.scf.0.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/water.scf.+1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/water.scf.-1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/water.scf.0.out\nq-e-qe-7.6/PW/examples/vdwDF_example/run_example\nq-e-qe-7.6/PW/examples/vdwDF_example/run_example_delta_scf\nq-e-qe-7.6/PW/src/\nq-e-qe-7.6/PW/src/Coul_cut_2D.f90\nq-e-qe-7.6/PW/src/Makefile\nq-e-qe-7.6/PW/src/a2fmod.f90\nq-e-qe-7.6/PW/src/acfdt_in_pw.f90\nq-e-qe-7.6/PW/src/add_bfield.f90\nq-e-qe-7.6/PW/src/add_dmft_occ.f90\nq-e-qe-7.6/PW/src/add_efield.f90\nq-e-qe-7.6/PW/src/add_gatefield.f90\nq-e-qe-7.6/PW/src/add_paw_to_deeq.f90\nq-e-qe-7.6/PW/src/add_paw_to_deeq_acc.f90\nq-e-qe-7.6/PW/src/add_qexsd_step.f90\nq-e-qe-7.6/PW/src/add_vhub_to_deeq.f90\nq-e-qe-7.6/PW/src/add_vhub_to_deeq_acc.f90\nq-e-qe-7.6/PW/src/add_vuspsi.f90\nq-e-qe-7.6/PW/src/add_vuspsi_acc.f90\nq-e-qe-7.6/PW/src/addusdens.f90\nq-e-qe-7.6/PW/src/addusforce.f90\nq-e-qe-7.6/PW/src/addusstress.f90\nq-e-qe-7.6/PW/src/allocate_fft.f90\nq-e-qe-7.6/PW/src/allocate_locpot.f90\nq-e-qe-7.6/PW/src/allocate_wfc.f90\nq-e-qe-7.6/PW/src/atomic_rho.f90\nq-e-qe-7.6/PW/src/atomic_wfc.f90\nq-e-qe-7.6/PW/src/atomic_wfc_mod.f90\nq-e-qe-7.6/PW/src/average_pp.f90\nq-e-qe-7.6/PW/src/beef.f90\nq-e-qe-7.6/PW/src/bp_c_phase.f90\nq-e-qe-7.6/PW/src/bp_mod.f90\nq-e-qe-7.6/PW/src/bp_strings.f90\nq-e-qe-7.6/PW/src/buffers.f90\nq-e-qe-7.6/PW/src/c_bands.f90\nq-e-qe-7.6/PW/src/c_phase_field.f90\nq-e-qe-7.6/PW/src/cdiagh.f90\nq-e-qe-7.6/PW/src/clean_pw.f90\nq-e-qe-7.6/PW/src/close_files.f90\nq-e-qe-7.6/PW/src/commutator_Hx_psi.f90\nq-e-qe-7.6/PW/src/commutator_Vhubx_psi.f90\nq-e-qe-7.6/PW/src/compute_becsum.f90\nq-e-qe-7.6/PW/src/compute_deff.f90\nq-e-qe-7.6/PW/src/compute_dip.f90\nq-e-qe-7.6/PW/src/compute_qdipol.f90\nq-e-qe-7.6/PW/src/compute_qdipol_so.f90\nq-e-qe-7.6/PW/src/compute_rho.f90\nq-e-qe-7.6/PW/src/compute_ux.f90\nq-e-qe-7.6/PW/src/d3hess_mod.f90\nq-e-qe-7.6/PW/src/d_matrix.f90\nq-e-qe-7.6/PW/src/data_structure.f90\nq-e-qe-7.6/PW/src/diag_direct.f90\nq-e-qe-7.6/PW/src/divide_class.f90\nq-e-qe-7.6/PW/src/divide_class_so.f90\nq-e-qe-7.6/PW/src/divide_et_impera.f90\nq-e-qe-7.6/PW/src/dynamics_module.f90\nq-e-qe-7.6/PW/src/efermig.f90\nq-e-qe-7.6/PW/src/efermit.f90\nq-e-qe-7.6/PW/src/electrons.f90\nq-e-qe-7.6/PW/src/environ_io_stub.f90\nq-e-qe-7.6/PW/src/environ_pw_module.f90\nq-e-qe-7.6/PW/src/eqvect.f90\nq-e-qe-7.6/PW/src/esm.f90\nq-e-qe-7.6/PW/src/esm_common_mod.f90\nq-e-qe-7.6/PW/src/esm_ewald_mod.f90\nq-e-qe-7.6/PW/src/esm_force_mod.f90\nq-e-qe-7.6/PW/src/esm_hartree_mod.f90\nq-e-qe-7.6/PW/src/esm_local_mod.f90\nq-e-qe-7.6/PW/src/esm_stres_mod.f90\nq-e-qe-7.6/PW/src/ewald.f90\nq-e-qe-7.6/PW/src/ewald_dipole.f90\nq-e-qe-7.6/PW/src/extfield.f90\nq-e-qe-7.6/PW/src/exx.f90\nq-e-qe-7.6/PW/src/exx_base.f90\nq-e-qe-7.6/PW/src/exx_bp.f90\nq-e-qe-7.6/PW/src/exx_bp_utils.f90\nq-e-qe-7.6/PW/src/exx_std.f90\nq-e-qe-7.6/PW/src/fcp_capacitance.f90\nq-e-qe-7.6/PW/src/fcp_dyn_calcavg.f90\nq-e-qe-7.6/PW/src/fcp_dyn_printavg.f90\nq-e-qe-7.6/PW/src/fcp_dynamics.f90\nq-e-qe-7.6/PW/src/fcp_hessian.f90\nq-e-qe-7.6/PW/src/fcp_input.f90\nq-e-qe-7.6/PW/src/fcp_module.f90\nq-e-qe-7.6/PW/src/fcp_relaxation.f90\nq-e-qe-7.6/PW/src/find_group.f90\nq-e-qe-7.6/PW/src/force_cc.f90\nq-e-qe-7.6/PW/src/force_corr.f90\nq-e-qe-7.6/PW/src/force_ew.f90\nq-e-qe-7.6/PW/src/force_hub.f90\nq-e-qe-7.6/PW/src/force_lc.f90\nq-e-qe-7.6/PW/src/force_us.f90\nq-e-qe-7.6/PW/src/forces.f90\nq-e-qe-7.6/PW/src/forces_bp_efield.f90\nq-e-qe-7.6/PW/src/g2_kin.f90\nq-e-qe-7.6/PW/src/g_psi.f90\nq-e-qe-7.6/PW/src/g_psi_mod.f90\nq-e-qe-7.6/PW/src/gcscf_input.f90\nq-e-qe-7.6/PW/src/gcscf_module.f90\nq-e-qe-7.6/PW/src/gen_at_dj.f90\nq-e-qe-7.6/PW/src/gen_at_dy.f90\nq-e-qe-7.6/PW/src/get_locals.f90\nq-e-qe-7.6/PW/src/gk_sort.f90\nq-e-qe-7.6/PW/src/gradcorr.f90\nq-e-qe-7.6/PW/src/gweights.f90\nq-e-qe-7.6/PW/src/h_epsi_her_apply.f90\nq-e-qe-7.6/PW/src/h_epsi_her_set.f90\nq-e-qe-7.6/PW/src/h_psi.f90\nq-e-qe-7.6/PW/src/h_psi_meta.f90\nq-e-qe-7.6/PW/src/hinit0.f90\nq-e-qe-7.6/PW/src/hinit1.f90\nq-e-qe-7.6/PW/src/hs_1psi.f90\nq-e-qe-7.6/PW/src/hs_psi.f90\nq-e-qe-7.6/PW/src/hubbard.f90\nq-e-qe-7.6/PW/src/init_ns.f90\nq-e-qe-7.6/PW/src/init_nsg.f90\nq-e-qe-7.6/PW/src/init_q_aeps.f90\nq-e-qe-7.6/PW/src/init_run.f90\nq-e-qe-7.6/PW/src/init_us_2.f90\nq-e-qe-7.6/PW/src/init_vloc.f90\nq-e-qe-7.6/PW/src/input.f90\nq-e-qe-7.6/PW/src/intersite_V.f90\nq-e-qe-7.6/PW/src/io_rho_xml.f90\nq-e-qe-7.6/PW/src/irreducible_BZ.f90\nq-e-qe-7.6/PW/src/iweights.f90\nq-e-qe-7.6/PW/src/kpoint_grid.f90\nq-e-qe-7.6/PW/src/lchk_tauxk.f90\nq-e-qe-7.6/PW/src/ldaU.f90\nq-e-qe-7.6/PW/src/loc_scdm.f90\nq-e-qe-7.6/PW/src/loc_scdm_k.f90\nq-e-qe-7.6/PW/src/make_pointlists.f90\nq-e-qe-7.6/PW/src/manypw.f90\nq-e-qe-7.6/PW/src/martyna_tuckerman.f90\nq-e-qe-7.6/PW/src/memory_report.f90\nq-e-qe-7.6/PW/src/mix_rho.f90\nq-e-qe-7.6/PW/src/move_ions.f90\nq-e-qe-7.6/PW/src/multable.f90\nq-e-qe-7.6/PW/src/n_plane_waves.f90\nq-e-qe-7.6/PW/src/new_ns.f90\nq-e-qe-7.6/PW/src/new_nsb.f90\nq-e-qe-7.6/PW/src/new_nsg.f90\nq-e-qe-7.6/PW/src/new_occ.f90\nq-e-qe-7.6/PW/src/newd_acc.f90\nq-e-qe-7.6/PW/src/non_scf.f90\nq-e-qe-7.6/PW/src/ns_adj.f90\nq-e-qe-7.6/PW/src/offset_atom_wfc.f90\nq-e-qe-7.6/PW/src/openfil.f90\nq-e-qe-7.6/PW/src/orbm_kubo.f90\nq-e-qe-7.6/PW/src/orthoUwfc.f90\nq-e-qe-7.6/PW/src/ortho_wfc.f90\nq-e-qe-7.6/PW/src/orthoatwfc.f90\nq-e-qe-7.6/PW/src/oscdft_base.f90\nq-e-qe-7.6/PW/src/oscdft_context.f90\nq-e-qe-7.6/PW/src/oscdft_enums.f90\nq-e-qe-7.6/PW/src/oscdft_extended.f90\nq-e-qe-7.6/PW/src/oscdft_forces.f90\nq-e-qe-7.6/PW/src/oscdft_forces_subs.f90\nq-e-qe-7.6/PW/src/oscdft_functions.f90\nq-e-qe-7.6/PW/src/oscdft_functions_gpu.f90\nq-e-qe-7.6/PW/src/oscdft_indices.f90\nq-e-qe-7.6/PW/src/oscdft_input.f90\nq-e-qe-7.6/PW/src/oscdft_occupations.f90\nq-e-qe-7.6/PW/src/oscdft_wavefunction.f90\nq-e-qe-7.6/PW/src/oscdft_wavefunction_subs.f90\nq-e-qe-7.6/PW/src/oscdft_wfcO.f90\nq-e-qe-7.6/PW/src/output_tau.f90\nq-e-qe-7.6/PW/src/para.f90\nq-e-qe-7.6/PW/src/paw_exx.f90\nq-e-qe-7.6/PW/src/paw_init.f90\nq-e-qe-7.6/PW/src/paw_onecenter.f90\nq-e-qe-7.6/PW/src/paw_symmetry.f90\nq-e-qe-7.6/PW/src/plugin_check.f90\nq-e-qe-7.6/PW/src/plugin_clean.f90\nq-e-qe-7.6/PW/src/plugin_clock.f90\nq-e-qe-7.6/PW/src/plugin_ext_forces.f90\nq-e-qe-7.6/PW/src/plugin_init_cell.f90\nq-e-qe-7.6/PW/src/plugin_init_ions.f90\nq-e-qe-7.6/PW/src/plugin_init_potential.f90\nq-e-qe-7.6/PW/src/plugin_initbase.f90\nq-e-qe-7.6/PW/src/plugin_initialization.f90\nq-e-qe-7.6/PW/src/plugin_int_forces.f90\nq-e-qe-7.6/PW/src/plugin_print_energies.f90\nq-e-qe-7.6/PW/src/plugin_read_input.f90\nq-e-qe-7.6/PW/src/plugin_scf_energy.f90\nq-e-qe-7.6/PW/src/plugin_scf_potential.f90\nq-e-qe-7.6/PW/src/plugin_summary.f90\nq-e-qe-7.6/PW/src/plus_u_full.f90\nq-e-qe-7.6/PW/src/potinit.f90\nq-e-qe-7.6/PW/src/print_clock_pw.f90\nq-e-qe-7.6/PW/src/print_ks_energies.f90\nq-e-qe-7.6/PW/src/printpot.f90\nq-e-qe-7.6/PW/src/punch.f90\nq-e-qe-7.6/PW/src/pw2blip.f90\nq-e-qe-7.6/PW/src/pw2casino.f90\nq-e-qe-7.6/PW/src/pw2casino_write.f90\nq-e-qe-7.6/PW/src/pw_init_qexsd_input.f90\nq-e-qe-7.6/PW/src/pw_restart_new.f90\nq-e-qe-7.6/PW/src/pwcom.f90\nq-e-qe-7.6/PW/src/pwscf.f90\nq-e-qe-7.6/PW/src/rdiagh.f90\nq-e-qe-7.6/PW/src/read_conf_from_file.f90\nq-e-qe-7.6/PW/src/read_file_new.f90\nq-e-qe-7.6/PW/src/realus.f90\nq-e-qe-7.6/PW/src/remove_atomic_rho.f90\nq-e-qe-7.6/PW/src/report_mag.f90\nq-e-qe-7.6/PW/src/restart_in_electrons.f90\nq-e-qe-7.6/PW/src/rho2zeta.f90\nq-e-qe-7.6/PW/src/rism_module.f90\nq-e-qe-7.6/PW/src/rotate_wfc.f90\nq-e-qe-7.6/PW/src/run_driver.f90\nq-e-qe-7.6/PW/src/run_pwscf.f90\nq-e-qe-7.6/PW/src/ruotaijk.f90\nq-e-qe-7.6/PW/src/s_1psi.f90\nq-e-qe-7.6/PW/src/s_psi.f90\nq-e-qe-7.6/PW/src/save_in_cbands.f90\nq-e-qe-7.6/PW/src/save_in_electrons.f90\nq-e-qe-7.6/PW/src/scale_h.f90\nq-e-qe-7.6/PW/src/scf_mod.f90\nq-e-qe-7.6/PW/src/scissor.f90\nq-e-qe-7.6/PW/src/set_kplusq.f90\nq-e-qe-7.6/PW/src/set_kup_and_kdw.f90\nq-e-qe-7.6/PW/src/set_occupations.f90\nq-e-qe-7.6/PW/src/set_rhoc.f90\nq-e-qe-7.6/PW/src/set_spin_vars.f90\nq-e-qe-7.6/PW/src/set_vrs.f90\nq-e-qe-7.6/PW/src/setlocal.f90\nq-e-qe-7.6/PW/src/setup.f90\nq-e-qe-7.6/PW/src/sic.f90\nq-e-qe-7.6/PW/src/start_k.f90\nq-e-qe-7.6/PW/src/starting_scf_mod.f90\nq-e-qe-7.6/PW/src/stop_run.f90\nq-e-qe-7.6/PW/src/stres_cc.f90\nq-e-qe-7.6/PW/src/stres_ewa.f90\nq-e-qe-7.6/PW/src/stres_gradcorr.f90\nq-e-qe-7.6/PW/src/stres_har.f90\nq-e-qe-7.6/PW/src/stres_hub.f90\nq-e-qe-7.6/PW/src/stres_knl.f90\nq-e-qe-7.6/PW/src/stres_loc.f90\nq-e-qe-7.6/PW/src/stres_mgga.f90\nq-e-qe-7.6/PW/src/stres_nonloc_dft.f90\nq-e-qe-7.6/PW/src/stres_us.f90\nq-e-qe-7.6/PW/src/stress.f90\nq-e-qe-7.6/PW/src/struct_fact.f90\nq-e-qe-7.6/PW/src/sum_band.f90\nq-e-qe-7.6/PW/src/sumkg.f90\nq-e-qe-7.6/PW/src/sumkt.f90\nq-e-qe-7.6/PW/src/summary.f90\nq-e-qe-7.6/PW/src/symm_base.f90\nq-e-qe-7.6/PW/src/symme.f90\nq-e-qe-7.6/PW/src/symmetrize_at.f90\nq-e-qe-7.6/PW/src/tetra.f90\nq-e-qe-7.6/PW/src/transform_becsum_nc.f90\nq-e-qe-7.6/PW/src/transform_becsum_so.f90\nq-e-qe-7.6/PW/src/trnvecc.f90\nq-e-qe-7.6/PW/src/two_chem.f90\nq-e-qe-7.6/PW/src/update_pot.f90\nq-e-qe-7.6/PW/src/us_exx.f90\nq-e-qe-7.6/PW/src/usnldiag.f90\nq-e-qe-7.6/PW/src/utils.f90\nq-e-qe-7.6/PW/src/utils_gpu.f90\nq-e-qe-7.6/PW/src/v_hubbard.f90\nq-e-qe-7.6/PW/src/v_of_rho.f90\nq-e-qe-7.6/PW/src/vcsmd.f90\nq-e-qe-7.6/PW/src/vcsubs.f90\nq-e-qe-7.6/PW/src/vhpsi.f90\nq-e-qe-7.6/PW/src/vhpsi_U.f90\nq-e-qe-7.6/PW/src/vloc_psi_acc.f90\nq-e-qe-7.6/PW/src/vloc_psi_tg.f90\nq-e-qe-7.6/PW/src/wannier_check.f90\nq-e-qe-7.6/PW/src/wannier_clean.f90\nq-e-qe-7.6/PW/src/wannier_init.f90\nq-e-qe-7.6/PW/src/wannier_occ.f90\nq-e-qe-7.6/PW/src/weights.f90\nq-e-qe-7.6/PW/src/wfcinit.f90\nq-e-qe-7.6/PW/src/write_ns.f90\nq-e-qe-7.6/PW/src/wsweight.f90\nq-e-qe-7.6/PW/src/xdm_dispersion.f90\nq-e-qe-7.6/PW/tools/\nq-e-qe-7.6/PW/tools/MINpuT.ipynb\nq-e-qe-7.6/PW/tools/MINpuT.py\nq-e-qe-7.6/PW/tools/Makefile\nq-e-qe-7.6/PW/tools/README\nq-e-qe-7.6/PW/tools/README_MINpuT.txt\nq-e-qe-7.6/PW/tools/castep2qe.sh\nq-e-qe-7.6/PW/tools/cell2ibrav.f90\nq-e-qe-7.6/PW/tools/cif2qe.sh\nq-e-qe-7.6/PW/tools/ev.f90\nq-e-qe-7.6/PW/tools/graphene.cif\nq-e-qe-7.6/PW/tools/graphene_hBN.in\nq-e-qe-7.6/PW/tools/hBN.cif\nq-e-qe-7.6/PW/tools/ibrav2cell.f90\nq-e-qe-7.6/PW/tools/kpoints.f90\nq-e-qe-7.6/PW/tools/md_analyzer.sh\nq-e-qe-7.6/PW/tools/pwi2xsf.f90\nq-e-qe-7.6/PW/tools/pwi2xsf.sh\nq-e-qe-7.6/PW/tools/pwo2xsf.sh\nq-e-qe-7.6/PW/tools/qeout2axsf.sh\nq-e-qe-7.6/PW/tools/rism1d.f90\nq-e-qe-7.6/PW/tools/scan_ibrav.f90\nq-e-qe-7.6/PW/tools/system.cif\nq-e-qe-7.6/PW/tools/xsf2pwi.sh\nq-e-qe-7.6/PWCOND/\nq-e-qe-7.6/PWCOND/CMakeLists.txt\nq-e-qe-7.6/PWCOND/Doc/\nq-e-qe-7.6/PWCOND/Doc/INPUT_PWCOND.def\nq-e-qe-7.6/PWCOND/Doc/Makefile\nq-e-qe-7.6/PWCOND/Makefile\nq-e-qe-7.6/PWCOND/examples/\nq-e-qe-7.6/PWCOND/examples/clean_all\nq-e-qe-7.6/PWCOND/examples/example01/\nq-e-qe-7.6/PWCOND/examples/example01/README\nq-e-qe-7.6/PWCOND/examples/example01/reference/\nq-e-qe-7.6/PWCOND/examples/example01/reference/AlwireAl.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/AlwireH.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/AlwireH.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/al.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/al.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/alwire.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/alwire.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/alwire1.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.al.co\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.al.im\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.al.re\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.alwire.co\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.alwire.im\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.alwire.re\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.ni_down.co\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.ni_down.im\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.ni_down.re\nq-e-qe-7.6/PWCOND/examples/example01/reference/ni.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/ni.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/trans.alwire\nq-e-qe-7.6/PWCOND/examples/example01/reference/trans.alwireh\nq-e-qe-7.6/PWCOND/examples/example01/run_example\nq-e-qe-7.6/PWCOND/examples/example02/\nq-e-qe-7.6/PWCOND/examples/example02/README\nq-e-qe-7.6/PWCOND/examples/example02/reference/\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt.cond.out\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt.cond_t.out\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt.tet.out\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt4.out\nq-e-qe-7.6/PWCOND/examples/example02/run_example\nq-e-qe-7.6/PWCOND/examples/example03/\nq-e-qe-7.6/PWCOND/examples/example03/README\nq-e-qe-7.6/PWCOND/examples/example03/reference/\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire1.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire1U.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/AuwireU.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/AuwireU.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwire.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwire.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwireU.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwireU.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.co_im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.co_re\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.re\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.co_im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.co_re\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.re\nq-e-qe-7.6/PWCOND/examples/example03/reference/plot_results.gnu\nq-e-qe-7.6/PWCOND/examples/example03/reference/trans.AuwireCO\nq-e-qe-7.6/PWCOND/examples/example03/reference/transU.AuwireCO\nq-e-qe-7.6/PWCOND/examples/example03/run_example\nq-e-qe-7.6/PWCOND/examples/run_all_examples\nq-e-qe-7.6/PWCOND/src/\nq-e-qe-7.6/PWCOND/src/Makefile\nq-e-qe-7.6/PWCOND/src/allocate_cond.f90\nq-e-qe-7.6/PWCOND/src/bessj.f90\nq-e-qe-7.6/PWCOND/src/compbs.f90\nq-e-qe-7.6/PWCOND/src/compbs_2.f90\nq-e-qe-7.6/PWCOND/src/cond_out.f90\nq-e-qe-7.6/PWCOND/src/cond_restart.f90\nq-e-qe-7.6/PWCOND/src/condcom.f90\nq-e-qe-7.6/PWCOND/src/condmain.f90\nq-e-qe-7.6/PWCOND/src/do_cond.f90\nq-e-qe-7.6/PWCOND/src/eigenchnl.f90\nq-e-qe-7.6/PWCOND/src/form_zk.f90\nq-e-qe-7.6/PWCOND/src/four.f90\nq-e-qe-7.6/PWCOND/src/free_mem.f90\nq-e-qe-7.6/PWCOND/src/gep_x.f90\nq-e-qe-7.6/PWCOND/src/gramsh.f90\nq-e-qe-7.6/PWCOND/src/hev_ab.f90\nq-e-qe-7.6/PWCOND/src/init_cond.f90\nq-e-qe-7.6/PWCOND/src/init_gper.f90\nq-e-qe-7.6/PWCOND/src/init_orbitals.f90\nq-e-qe-7.6/PWCOND/src/integrals.f90\nq-e-qe-7.6/PWCOND/src/jbloch.f90\nq-e-qe-7.6/PWCOND/src/kbloch.f90\nq-e-qe-7.6/PWCOND/src/local.f90\nq-e-qe-7.6/PWCOND/src/local_set.f90\nq-e-qe-7.6/PWCOND/src/openfil_cond.f90\nq-e-qe-7.6/PWCOND/src/plus_u_setup.f90\nq-e-qe-7.6/PWCOND/src/poten.f90\nq-e-qe-7.6/PWCOND/src/print_clock_pwcond.f90\nq-e-qe-7.6/PWCOND/src/realus_scatt.f90\nq-e-qe-7.6/PWCOND/src/rotproc.f90\nq-e-qe-7.6/PWCOND/src/save_cond.f90\nq-e-qe-7.6/PWCOND/src/scat_states_plot.f90\nq-e-qe-7.6/PWCOND/src/scatter_forw.f90\nq-e-qe-7.6/PWCOND/src/summary_band.f90\nq-e-qe-7.6/PWCOND/src/summary_tran.f90\nq-e-qe-7.6/PWCOND/src/sunitary.f90\nq-e-qe-7.6/PWCOND/src/transmit.f90\nq-e-qe-7.6/QEHeat/\nq-e-qe-7.6/QEHeat/CMakeLists.txt\nq-e-qe-7.6/QEHeat/Doc/\nq-e-qe-7.6/QEHeat/Doc/INPUT_ALL_CURRENTS.def\nq-e-qe-7.6/QEHeat/Doc/Makefile\nq-e-qe-7.6/QEHeat/Doc/input_xx.xsl\nq-e-qe-7.6/QEHeat/Makefile\nq-e-qe-7.6/QEHeat/README\nq-e-qe-7.6/QEHeat/examples/\nq-e-qe-7.6/QEHeat/examples/README.md\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/input\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/current_hz\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/current_hz.dat\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/output\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/run_example.sh\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/traj.pos\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/traj.vel\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/input_energycurrent\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/current_hz\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/current_hz.dat\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/output_energycurrent\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/run_example.sh\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/input_all_currents\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/input_cp\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/current_hz\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/current_hz.dat\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/out_all_currents\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/out_cp\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.0_0\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.cel\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.con\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.eig\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.evp\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.for\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.hrs\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.ncg\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.nos\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.pol\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.pos\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.spr\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.str\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.the\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.vel\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.wfc\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/run_example_water\nq-e-qe-7.6/QEHeat/examples/pseudo/\nq-e-qe-7.6/QEHeat/examples/pseudo/Ar_ONCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/H_HSCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/O_HSCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/O_ONCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/Si_ONCV_PBE-1.1.upf\nq-e-qe-7.6/QEHeat/src/\nq-e-qe-7.6/QEHeat/src/Makefile\nq-e-qe-7.6/QEHeat/src/all_currents.f90\nq-e-qe-7.6/QEHeat/src/averages.f90\nq-e-qe-7.6/QEHeat/src/compute_charge.f90\nq-e-qe-7.6/QEHeat/src/cpv_traj.f90\nq-e-qe-7.6/QEHeat/src/cpv_traj_test.f90\nq-e-qe-7.6/QEHeat/src/ec_functionals.f90\nq-e-qe-7.6/QEHeat/src/hartree_xc_mod.f90\nq-e-qe-7.6/QEHeat/src/init_us_3.f90\nq-e-qe-7.6/QEHeat/src/ionic_mod.f90\nq-e-qe-7.6/QEHeat/src/kohn_sham_mod.f90\nq-e-qe-7.6/QEHeat/src/project.f90\nq-e-qe-7.6/QEHeat/src/scf_result.f90\nq-e-qe-7.6/QEHeat/src/test_h_psi_s_psi_commutator_Hx_psi.f90\nq-e-qe-7.6/QEHeat/src/traj_object.f90\nq-e-qe-7.6/QEHeat/src/zero_mod.f90\nq-e-qe-7.6/README.md\nq-e-qe-7.6/README_GPU.md\nq-e-qe-7.6/TDDFPT/\nq-e-qe-7.6/TDDFPT/.dependencies\nq-e-qe-7.6/TDDFPT/CMakeLists.txt\nq-e-qe-7.6/TDDFPT/ColorCalculator/\nq-e-qe-7.6/TDDFPT/ColorCalculator/CIEx\nq-e-qe-7.6/TDDFPT/ColorCalculator/CIEy\nq-e-qe-7.6/TDDFPT/ColorCalculator/CIEz\nq-e-qe-7.6/TDDFPT/ColorCalculator/ColorCalculator5.jar\nq-e-qe-7.6/TDDFPT/ColorCalculator/D65.light\nq-e-qe-7.6/TDDFPT/ColorCalculator/Install\nq-e-qe-7.6/TDDFPT/ColorCalculator/Makefile\nq-e-qe-7.6/TDDFPT/ColorCalculator/README\nq-e-qe-7.6/TDDFPT/ColorCalculator/colorBlue.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/pelargonin_inter_sort.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/pelargonin_no_inter.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/pelargonin_no_inter_no_sort.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/ColorCalculator.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/ColorWindow.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/GUITools.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/Graph.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/GraphFactory.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/Manifest.txt\nq-e-qe-7.6/TDDFPT/Doc/\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Davidson.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_EELS.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Lanczos.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Magnon.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Spectrum.def\nq-e-qe-7.6/TDDFPT/Doc/Makefile\nq-e-qe-7.6/TDDFPT/Makefile\nq-e-qe-7.6/TDDFPT/README\nq-e-qe-7.6/TDDFPT/examples/\nq-e-qe-7.6/TDDFPT/examples/README\nq-e-qe-7.6/TDDFPT/examples/clean_all\nq-e-qe-7.6/TDDFPT/examples/example01/\nq-e-qe-7.6/TDDFPT/examples/example01/reference/\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example01/run_example\nq-e-qe-7.6/TDDFPT/examples/example02/\nq-e-qe-7.6/TDDFPT/examples/example02/reference/\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.scf.in\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.scf.out\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example02/run_example\nq-e-qe-7.6/TDDFPT/examples/example03/\nq-e-qe-7.6/TDDFPT/examples/example03/reference/\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.scf.in\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.scf.out\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example03/run_example\nq-e-qe-7.6/TDDFPT/examples/example04/\nq-e-qe-7.6/TDDFPT/examples/example04/reference/\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example04/run_example\nq-e-qe-7.6/TDDFPT/examples/example05/\nq-e-qe-7.6/TDDFPT/examples/example05/reference/\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example05/run_example\nq-e-qe-7.6/TDDFPT/examples/example06/\nq-e-qe-7.6/TDDFPT/examples/example06/reference/\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt2.in\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt2.out\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example06/reference/README\nq-e-qe-7.6/TDDFPT/examples/example06/run_example\nq-e-qe-7.6/TDDFPT/examples/example07/\nq-e-qe-7.6/TDDFPT/examples/example07/reference/\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example07/reference/environ.in\nq-e-qe-7.6/TDDFPT/examples/example07/run_example\nq-e-qe-7.6/TDDFPT/examples/example08/\nq-e-qe-7.6/TDDFPT/examples/example08/reference/\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.eigen\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example08/run_example\nq-e-qe-7.6/TDDFPT/examples/example09/\nq-e-qe-7.6/TDDFPT/examples/example09/reference/\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.eigen\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.scf.in\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.scf.out\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example09/run_example\nq-e-qe-7.6/TDDFPT/examples/example10/\nq-e-qe-7.6/TDDFPT/examples/example10/reference/\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.eigen\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example10/run_example\nq-e-qe-7.6/TDDFPT/examples/example11/\nq-e-qe-7.6/TDDFPT/examples/example11/reference/\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.eigen\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example11/reference/environ.in\nq-e-qe-7.6/TDDFPT/examples/example11/run_example\nq-e-qe-7.6/TDDFPT/examples/example12/\nq-e-qe-7.6/TDDFPT/examples/example12/reference/\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.eigen\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.pp.in\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.pp.out\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.scf.in\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.scf.out\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example12/reference/drho-of-eign-1.cube\nq-e-qe-7.6/TDDFPT/examples/example12/run_example\nq-e-qe-7.6/TDDFPT/examples/example13/\nq-e-qe-7.6/TDDFPT/examples/example13/reference/\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.scf.in\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.scf.out\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example13/run_example\nq-e-qe-7.6/TDDFPT/examples/example14/\nq-e-qe-7.6/TDDFPT/examples/example14/reference/\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.scf.in\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.scf.out\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example14/run_example\nq-e-qe-7.6/TDDFPT/examples/example15/\nq-e-qe-7.6/TDDFPT/examples/example15/reference/\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.scf.in\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.scf.out\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example15/run_example\nq-e-qe-7.6/TDDFPT/examples/example16/\nq-e-qe-7.6/TDDFPT/examples/example16/reference/\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.scf.in\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.scf.out\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example16/run_example\nq-e-qe-7.6/TDDFPT/examples/example17/\nq-e-qe-7.6/TDDFPT/examples/example17/reference/\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.scf.in\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.scf.out\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example17/run_example\nq-e-qe-7.6/TDDFPT/examples/example18/\nq-e-qe-7.6/TDDFPT/examples/example18/reference/\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.scf.in\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.scf.out\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example18/run_example\nq-e-qe-7.6/TDDFPT/examples/example19/\nq-e-qe-7.6/TDDFPT/examples/example19/reference/\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.scf.in\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.scf.out\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example19/run_example\nq-e-qe-7.6/TDDFPT/examples/run_all_examples\nq-e-qe-7.6/TDDFPT/src/\nq-e-qe-7.6/TDDFPT/src/Makefile\nq-e-qe-7.6/TDDFPT/src/bcast_lr_input.f90\nq-e-qe-7.6/TDDFPT/src/dveqpsi_us.f90\nq-e-qe-7.6/TDDFPT/src/dveqpsi_us_only.f90\nq-e-qe-7.6/TDDFPT/src/environ_td_module.f90\nq-e-qe-7.6/TDDFPT/src/linear_solvers.f90\nq-e-qe-7.6/TDDFPT/src/lr_Opsi_magnons.f90\nq-e-qe-7.6/TDDFPT/src/lr_addus_dvpsi.f90\nq-e-qe-7.6/TDDFPT/src/lr_alloc_init.f90\nq-e-qe-7.6/TDDFPT/src/lr_apply_liouvillian.f90\nq-e-qe-7.6/TDDFPT/src/lr_apply_liouvillian_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_apply_liouvillian_magnons.f90\nq-e-qe-7.6/TDDFPT/src/lr_calc_dens.f90\nq-e-qe-7.6/TDDFPT/src/lr_calc_dens_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_calc_dens_eels_nc.f90\nq-e-qe-7.6/TDDFPT/src/lr_calc_dens_magnons.f90\nq-e-qe-7.6/TDDFPT/src/lr_charg_resp.f90\nq-e-qe-7.6/TDDFPT/src/lr_compute_intq.f90\nq-e-qe-7.6/TDDFPT/src/lr_dav_main.f90\nq-e-qe-7.6/TDDFPT/src/lr_dav_routines.f90\nq-e-qe-7.6/TDDFPT/src/lr_dav_variables.f90\nq-e-qe-7.6/TDDFPT/src/lr_dealloc.f90\nq-e-qe-7.6/TDDFPT/src/lr_dv_setup.f90\nq-e-qe-7.6/TDDFPT/src/lr_dvpsi_e.f90\nq-e-qe-7.6/TDDFPT/src/lr_dvpsi_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_dvpsi_magnons.f90\nq-e-qe-7.6/TDDFPT/src/lr_eels_main.f90\nq-e-qe-7.6/TDDFPT/src/lr_exx_kernel.f90\nq-e-qe-7.6/TDDFPT/src/lr_init_nfo.f90\nq-e-qe-7.6/TDDFPT/src/lr_lanczos.f90\nq-e-qe-7.6/TDDFPT/src/lr_magnons_main.f90\nq-e-qe-7.6/TDDFPT/src/lr_magnons_routines.f90\nq-e-qe-7.6/TDDFPT/src/lr_main.f90\nq-e-qe-7.6/TDDFPT/src/lr_mix_pot.f90\nq-e-qe-7.6/TDDFPT/src/lr_normalise.f90\nq-e-qe-7.6/TDDFPT/src/lr_ortho.f90\nq-e-qe-7.6/TDDFPT/src/lr_psym_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_read_d0psi.f90\nq-e-qe-7.6/TDDFPT/src/lr_read_wf.f90\nq-e-qe-7.6/TDDFPT/src/lr_readin.f90\nq-e-qe-7.6/TDDFPT/src/lr_restart.f90\nq-e-qe-7.6/TDDFPT/src/lr_run_nscf.f90\nq-e-qe-7.6/TDDFPT/src/lr_set_boxes_density.f90\nq-e-qe-7.6/TDDFPT/src/lr_set_intq_nc.f90\nq-e-qe-7.6/TDDFPT/src/lr_setup_nscf.f90\nq-e-qe-7.6/TDDFPT/src/lr_smallgq.f90\nq-e-qe-7.6/TDDFPT/src/lr_solve_e.f90\nq-e-qe-7.6/TDDFPT/src/lr_sternheimer.f90\nq-e-qe-7.6/TDDFPT/src/lr_summary.f90\nq-e-qe-7.6/TDDFPT/src/lr_sym_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_test_restart.f90\nq-e-qe-7.6/TDDFPT/src/lr_transform_intq_nc.f90\nq-e-qe-7.6/TDDFPT/src/lr_transform_intq_so.f90\nq-e-qe-7.6/TDDFPT/src/lr_us.f90\nq-e-qe-7.6/TDDFPT/src/lr_variables.f90\nq-e-qe-7.6/TDDFPT/src/lr_write_restart.f90\nq-e-qe-7.6/TDDFPT/src/paw_add_symmetry.f90\nq-e-qe-7.6/TDDFPT/src/plugin_tddfpt_potential.f90\nq-e-qe-7.6/TDDFPT/src/print_clock_lr.f90\nq-e-qe-7.6/TDDFPT/src/sd0psi.f90\nq-e-qe-7.6/TDDFPT/src/stop_lr.f90\nq-e-qe-7.6/TDDFPT/src/turbo_spectrum.f90\nq-e-qe-7.6/UtilXlib/\nq-e-qe-7.6/UtilXlib/CMakeLists.txt\nq-e-qe-7.6/UtilXlib/Makefile\nq-e-qe-7.6/UtilXlib/Makefile.test\nq-e-qe-7.6/UtilXlib/README.md\nq-e-qe-7.6/UtilXlib/c_mkdir.c\nq-e-qe-7.6/UtilXlib/clib_wrappers.f90\nq-e-qe-7.6/UtilXlib/clocks_handler.f90\nq-e-qe-7.6/UtilXlib/copy.c\nq-e-qe-7.6/UtilXlib/cptimer.c\nq-e-qe-7.6/UtilXlib/data_buffer.f90\nq-e-qe-7.6/UtilXlib/device_helper.f90\nq-e-qe-7.6/UtilXlib/divide.f90\nq-e-qe-7.6/UtilXlib/error_handler.f90\nq-e-qe-7.6/UtilXlib/eval_infix.c\nq-e-qe-7.6/UtilXlib/export_gstart_2_solvers.f90\nq-e-qe-7.6/UtilXlib/find_free_unit.f90\nq-e-qe-7.6/UtilXlib/fletcher32.c\nq-e-qe-7.6/UtilXlib/fletcher32_mod.f90\nq-e-qe-7.6/UtilXlib/hash.f90\nq-e-qe-7.6/UtilXlib/md5.c\nq-e-qe-7.6/UtilXlib/md5.h\nq-e-qe-7.6/UtilXlib/md5_from_file.c\nq-e-qe-7.6/UtilXlib/mem_counter.f90\nq-e-qe-7.6/UtilXlib/memstat.c\nq-e-qe-7.6/UtilXlib/memusage.c\nq-e-qe-7.6/UtilXlib/mp.f90\nq-e-qe-7.6/UtilXlib/mp_bands_util.f90\nq-e-qe-7.6/UtilXlib/mp_base.f90\nq-e-qe-7.6/UtilXlib/mp_base_gpu.f90\nq-e-qe-7.6/UtilXlib/nvtx_wrapper.f90\nq-e-qe-7.6/UtilXlib/parallel_include.f90\nq-e-qe-7.6/UtilXlib/print_mem.f90\nq-e-qe-7.6/UtilXlib/ptrace.c\nq-e-qe-7.6/UtilXlib/set_mpi_comm_4_solvers.f90\nq-e-qe-7.6/UtilXlib/tests/\nq-e-qe-7.6/UtilXlib/tests/Makefile\nq-e-qe-7.6/UtilXlib/tests/README.md\nq-e-qe-7.6/UtilXlib/tests/compile_and_run_tests.sh\nq-e-qe-7.6/UtilXlib/tests/gen_tests.py\nq-e-qe-7.6/UtilXlib/tests/mp_world.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_allgatherv_type_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_alltoall.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_alltoall_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_c4d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_c5d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_c6d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_i1.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_i1_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_i4d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_im.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_im_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_it.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_it_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_iv.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_iv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_iv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_iv_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_lv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_lv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_r4d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_r5d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_rv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_rv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_circular_shift_left_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_count_nodes.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_gather_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_gatherv_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_gatherv_type_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_get_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_iv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_iv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_rv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_rv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_iv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_iv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_rv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_rv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_put_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_root_sum_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_iv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_iv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_rv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_rv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_offload_macros.f90\nq-e-qe-7.6/UtilXlib/tests/tester.f90\nq-e-qe-7.6/UtilXlib/tests/utils.f90\nq-e-qe-7.6/UtilXlib/thread_util.f90\nq-e-qe-7.6/UtilXlib/util_param.f90\nq-e-qe-7.6/XClib/\nq-e-qe-7.6/XClib/CMakeLists.txt\nq-e-qe-7.6/XClib/Ford/\nq-e-qe-7.6/XClib/Ford/Ford.md\nq-e-qe-7.6/XClib/Ford/pagedir/\nq-e-qe-7.6/XClib/Ford/pagedir/index.md\nq-e-qe-7.6/XClib/Makefile\nq-e-qe-7.6/XClib/README.BEEF\nq-e-qe-7.6/XClib/README.TEST\nq-e-qe-7.6/XClib/beefleg.h\nq-e-qe-7.6/XClib/beefun.c\nq-e-qe-7.6/XClib/dft_setting_params.f90\nq-e-qe-7.6/XClib/dft_setting_routines.f90\nq-e-qe-7.6/XClib/pbecor.c\nq-e-qe-7.6/XClib/pbecor.h\nq-e-qe-7.6/XClib/qe_constants.f90\nq-e-qe-7.6/XClib/qe_dft_list.f90\nq-e-qe-7.6/XClib/qe_dft_refs.f90\nq-e-qe-7.6/XClib/qe_drivers_d_gga.f90\nq-e-qe-7.6/XClib/qe_drivers_d_lda_lsda.f90\nq-e-qe-7.6/XClib/qe_drivers_gga.f90\nq-e-qe-7.6/XClib/qe_drivers_lda_lsda.f90\nq-e-qe-7.6/XClib/qe_drivers_mgga.f90\nq-e-qe-7.6/XClib/qe_funct_corr_gga.f90\nq-e-qe-7.6/XClib/qe_funct_corr_lda_lsda.f90\nq-e-qe-7.6/XClib/qe_funct_exch_gga.f90\nq-e-qe-7.6/XClib/qe_funct_exch_lda_lsda.f90\nq-e-qe-7.6/XClib/qe_funct_mgga.f90\nq-e-qe-7.6/XClib/qe_kind.f90\nq-e-qe-7.6/XClib/test_input_files/\nq-e-qe-7.6/XClib/test_input_files/all_shorts.xml\nq-e-qe-7.6/XClib/test_input_files/all_terms.xml\nq-e-qe-7.6/XClib/test_input_files/exe_test.in\nq-e-qe-7.6/XClib/test_input_files/gen_test.in\nq-e-qe-7.6/XClib/test_input_files/test_all_shorts.in\nq-e-qe-7.6/XClib/test_input_files/test_all_terms.in\nq-e-qe-7.6/XClib/xc_beef_interface.f90\nq-e-qe-7.6/XClib/xc_infos.f90\nq-e-qe-7.6/XClib/xc_lib.f90\nq-e-qe-7.6/XClib/xc_wrapper_d_gga.f90\nq-e-qe-7.6/XClib/xc_wrapper_d_lda_lsda.f90\nq-e-qe-7.6/XClib/xc_wrapper_gga.f90\nq-e-qe-7.6/XClib/xc_wrapper_lda_lsda.f90\nq-e-qe-7.6/XClib/xc_wrapper_mgga.f90\nq-e-qe-7.6/XClib/xclib_error.f90\nq-e-qe-7.6/XClib/xclib_test.f90\nq-e-qe-7.6/XClib/xclib_utils_and_para.f90\nq-e-qe-7.6/XSpectra/\nq-e-qe-7.6/XSpectra/CMakeLists.txt\nq-e-qe-7.6/XSpectra/Doc/\nq-e-qe-7.6/XSpectra/Doc/INPUT_MOLECULARNEXAFS\nq-e-qe-7.6/XSpectra/Doc/INPUT_SPECTRA_CORRECTION\nq-e-qe-7.6/XSpectra/Doc/INPUT_SPECTRA_MANIPULATION\nq-e-qe-7.6/XSpectra/Doc/INPUT_XSPECTRA\nq-e-qe-7.6/XSpectra/Makefile\nq-e-qe-7.6/XSpectra/README\nq-e-qe-7.6/XSpectra/examples/\nq-e-qe-7.6/XSpectra/examples/pseudo/\nq-e-qe-7.6/XSpectra/examples/pseudo/C_PBE_TM_2pj.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Ch_PBE_TM_2pj.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Cu_US_PBE_3pj_lowE.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Cu_halfh_US_PBE_3pj.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Ni_PBE_TM_2pj.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/O_PBE_TM.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/O_PBE_USPP.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Si_PBE_USPP.UPF\nq-e-qe-7.6/XSpectra/examples/reference/\nq-e-qe-7.6/XSpectra/examples/reference/C.wfc\nq-e-qe-7.6/XSpectra/examples/reference/Cu.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/Cu.wfc\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh_xspectra.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh_xspectra.out\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh_xspectra_xonlyplot.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xanes_L2.dat\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xanes_L2.sav\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xanes_L2_lplus.dat\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xanes_L2_lplus.sav\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xspectra.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xspectra.out\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xspectra_lplus.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xspectra_lplus.out\nq-e-qe-7.6/XSpectra/examples/reference/Cuhalfh_xanes_L2.dat\nq-e-qe-7.6/XSpectra/examples/reference/Cuhalfh_xanes_L2.sav\nq-e-qe-7.6/XSpectra/examples/reference/Cuhalfh_xanes_L2_xonlyplot.dat\nq-e-qe-7.6/XSpectra/examples/reference/Ni.wfc\nq-e-qe-7.6/XSpectra/examples/reference/NiO.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/NiO.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip.dat\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip.in\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip.out\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip.sav\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip_replot.dat\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip_replot.in\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip_replot.out\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_qua.dat\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_qua.in\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_qua.out\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_qua.sav\nq-e-qe-7.6/XSpectra/examples/reference/Si.wfc\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_c.dat\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_c.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_c.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_c.sav\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_plane.dat\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_plane.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_plane.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_plane.sav\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.sav\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.dat\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.sav\nq-e-qe-7.6/XSpectra/examples/reference/diamond.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/diamond.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra.dat\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra.in\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra.out\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra.sav\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_fermi.in\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_fermi.out\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_replot.dat\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_replot.in\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_replot.out\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra.dat\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra.in\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra.out\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra.sav\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra_fermi.in\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra_fermi.out\nq-e-qe-7.6/XSpectra/examples/run_example_Cu_L23\nq-e-qe-7.6/XSpectra/examples/run_example_NiO\nq-e-qe-7.6/XSpectra/examples/run_example_SiO2_USPP\nq-e-qe-7.6/XSpectra/examples/run_example_diamond\nq-e-qe-7.6/XSpectra/src/\nq-e-qe-7.6/XSpectra/src/Makefile\nq-e-qe-7.6/XSpectra/src/assign_paw_radii_to_species.f90\nq-e-qe-7.6/XSpectra/src/banner_xspectra.f90\nq-e-qe-7.6/XSpectra/src/check_orthogonality_k_epsilon.f90\nq-e-qe-7.6/XSpectra/src/gaunt_mod.f90\nq-e-qe-7.6/XSpectra/src/init_gipaw_1.f90\nq-e-qe-7.6/XSpectra/src/init_gipaw_2.f90\nq-e-qe-7.6/XSpectra/src/io_routines.f90\nq-e-qe-7.6/XSpectra/src/ipoolscatter.f90\nq-e-qe-7.6/XSpectra/src/lanczos.f90\nq-e-qe-7.6/XSpectra/src/lr_sm1_psi.f90\nq-e-qe-7.6/XSpectra/src/molecularnexafs.f90\nq-e-qe-7.6/XSpectra/src/mygetK.f90\nq-e-qe-7.6/XSpectra/src/paw_gipaw.f90\nq-e-qe-7.6/XSpectra/src/plot_xanes_cross_sections.f90\nq-e-qe-7.6/XSpectra/src/radin_mod.f90\nq-e-qe-7.6/XSpectra/src/read_input_and_bcast.f90\nq-e-qe-7.6/XSpectra/src/read_k_points.f90\nq-e-qe-7.6/XSpectra/src/reset_k_points_and_reinit.f90\nq-e-qe-7.6/XSpectra/src/select_nl_init.f90\nq-e-qe-7.6/XSpectra/src/set_xspectra_namelists_defaults.f90\nq-e-qe-7.6/XSpectra/src/spectra_correction.f90\nq-e-qe-7.6/XSpectra/src/stdout_routines.f90\nq-e-qe-7.6/XSpectra/src/xanes_dipole.f90\nq-e-qe-7.6/XSpectra/src/xanes_dipole_general_edge.f90\nq-e-qe-7.6/XSpectra/src/xanes_quadrupole.f90\nq-e-qe-7.6/XSpectra/src/xspectra.f90\nq-e-qe-7.6/XSpectra/src/xspectra_mod.f90\nq-e-qe-7.6/XSpectra/src/xspectra_utils.f90\nq-e-qe-7.6/XSpectra/tools/\nq-e-qe-7.6/XSpectra/tools/upf2plotcore.sh\nq-e-qe-7.6/archive/\nq-e-qe-7.6/archive/.gitignore\nq-e-qe-7.6/archive/README.md\nq-e-qe-7.6/atomic/\nq-e-qe-7.6/atomic/CMakeLists.txt\nq-e-qe-7.6/atomic/Doc/\nq-e-qe-7.6/atomic/Doc/ChangeLog\nq-e-qe-7.6/atomic/Doc/INPUT_LD1.def\nq-e-qe-7.6/atomic/Doc/Makefile\nq-e-qe-7.6/atomic/Doc/pseudo-gen-fig1.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen-fig2.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen-fig3.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen-fig4.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen.tex\nq-e-qe-7.6/atomic/KLI.md\nq-e-qe-7.6/atomic/Makefile\nq-e-qe-7.6/atomic/README\nq-e-qe-7.6/atomic/examples/\nq-e-qe-7.6/atomic/examples/all-electron/\nq-e-qe-7.6/atomic/examples/all-electron/AAREADME\nq-e-qe-7.6/atomic/examples/all-electron/ar.in\nq-e-qe-7.6/atomic/examples/all-electron/c_oep.in\nq-e-qe-7.6/atomic/examples/all-electron/clean.sh\nq-e-qe-7.6/atomic/examples/all-electron/cu.in\nq-e-qe-7.6/atomic/examples/all-electron/cu1.in\nq-e-qe-7.6/atomic/examples/all-electron/f.in\nq-e-qe-7.6/atomic/examples/all-electron/fe.in\nq-e-qe-7.6/atomic/examples/all-electron/h.in\nq-e-qe-7.6/atomic/examples/all-electron/h.oep.in\nq-e-qe-7.6/atomic/examples/all-electron/he.in\nq-e-qe-7.6/atomic/examples/all-electron/he.oep.in\nq-e-qe-7.6/atomic/examples/all-electron/mg.in\nq-e-qe-7.6/atomic/examples/all-electron/ne.kli.in\nq-e-qe-7.6/atomic/examples/all-electron/ne_oep.in\nq-e-qe-7.6/atomic/examples/all-electron/pt.in\nq-e-qe-7.6/atomic/examples/all-electron/reference/\nq-e-qe-7.6/atomic/examples/all-electron/reference/ar.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/c_oep.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/cu.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/cu1.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/f.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/fe.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/h.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/he.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/mg.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/ne_oep.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/pt.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/u.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/u1.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/w.out\nq-e-qe-7.6/atomic/examples/all-electron/test.job\nq-e-qe-7.6/atomic/examples/all-electron/u.in\nq-e-qe-7.6/atomic/examples/all-electron/u1.in\nq-e-qe-7.6/atomic/examples/all-electron/w.in\nq-e-qe-7.6/atomic/examples/make_clean\nq-e-qe-7.6/atomic/examples/paw_examples/\nq-e-qe-7.6/atomic/examples/paw_examples/README\nq-e-qe-7.6/atomic/examples/paw_examples/clean\nq-e-qe-7.6/atomic/examples/paw_examples/input/\nq-e-qe-7.6/atomic/examples/paw_examples/input/Be.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/C.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Cl.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Cu.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/F.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Fe.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Ge.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/H.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Li-1s.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Li.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/N.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Na-2s2p.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/O-lda.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/O.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/P.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Pd.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/S.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Si.in\nq-e-qe-7.6/atomic/examples/paw_examples/oxygen/\nq-e-qe-7.6/atomic/examples/paw_examples/oxygen/gen.in\nq-e-qe-7.6/atomic/examples/paw_examples/oxygen/spin.in\nq-e-qe-7.6/atomic/examples/paw_examples/oxygen/test.in\nq-e-qe-7.6/atomic/examples/paw_examples/plot_dlog\nq-e-qe-7.6/atomic/examples/paw_examples/reference/\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Be-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Be.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/C-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/C.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Cl-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Cl.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Cu-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Cu.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/F-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/F.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Fe-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Fe.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Ge-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Ge.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/H-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/H.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Li-1s-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Li-1s.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Li-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Li.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/N-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/N.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Na-2s2p-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Na-2s2p.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/O-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/O-lda-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/O-lda.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/O.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/P-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/P.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Pd-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Pd.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/S-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/S.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Si-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Si.out\nq-e-qe-7.6/atomic/examples/paw_examples/test\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/AAREADME\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/Si.pz-vbc.UPF\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/clean.sh\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/reference/\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/reference/Si.LDA.0.5.UPF\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/reference/si.lda.0.5.out\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/si.lda.0.5.in\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/test.job\nq-e-qe-7.6/atomic/examples/pseudo-gen/\nq-e-qe-7.6/atomic/examples/pseudo-gen/AAREADME\nq-e-qe-7.6/atomic/examples/pseudo-gen/al.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/as.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/clean.sh\nq-e-qe-7.6/atomic/examples/pseudo-gen/o.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/pt.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/Al.rrkj3\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/Asrel.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/OPBE.RRKJ3\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/Ptrel.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/SiPBE_nc\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/al.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/as.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/o.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/pt.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/si_nc.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/si_nc.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/test.job\nq-e-qe-7.6/atomic/examples/pseudo-test/\nq-e-qe-7.6/atomic/examples/pseudo-test/AAREADME\nq-e-qe-7.6/atomic/examples/pseudo-test/Al.rrkj3\nq-e-qe-7.6/atomic/examples/pseudo-test/Asrel.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-test/Garel.ld1\nq-e-qe-7.6/atomic/examples/pseudo-test/NiUSPBE.RRKJ3\nq-e-qe-7.6/atomic/examples/pseudo-test/OPBE.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-test/RhUSPBEnlcc.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-test/S.gon\nq-e-qe-7.6/atomic/examples/pseudo-test/al.in\nq-e-qe-7.6/atomic/examples/pseudo-test/as.in\nq-e-qe-7.6/atomic/examples/pseudo-test/clean.sh\nq-e-qe-7.6/atomic/examples/pseudo-test/ga.in\nq-e-qe-7.6/atomic/examples/pseudo-test/ni.in\nq-e-qe-7.6/atomic/examples/pseudo-test/o.in\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/al.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/as.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/ga.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/ni.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/o.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/rh.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/s.out\nq-e-qe-7.6/atomic/examples/pseudo-test/rh.in\nq-e-qe-7.6/atomic/examples/pseudo-test/s.in\nq-e-qe-7.6/atomic/examples/pseudo-test/test.job\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/AAREADME\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ar.sla-gl.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ar.sla-noc.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ar.sla-pz.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/clean.sh\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/kr.sla-gl.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/kr.sla-noc.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/kr.sla-pz.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ne.sla-gl.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ne.sla-noc.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ne.sla-pz.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-gl.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-gl.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-noc.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-noc.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-pz.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-pz.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/compare.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-gl.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-gl.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-noc.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-noc.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-pz.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-pz.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-gl.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-gl.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-noc.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-noc.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-pz.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-pz.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/test.job\nq-e-qe-7.6/atomic/pseudo_library/\nq-e-qe-7.6/atomic/pseudo_library/AAAREADME\nq-e-qe-7.6/atomic/pseudo_library/LDA/\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Ag.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Al.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/As.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Au.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/B.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Br.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/C.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Cd.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Cl.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/F.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/H.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Hg.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Ir.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/N.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/O.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/O.rel-pz-rrkjus_h.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Os.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/P.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Pb.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Pd.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Rh.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Ru.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/S.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Sb.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Se.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Si.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/clean\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/make_ps\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Ag.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Al.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/As.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Au.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Au.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/B.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Br.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/C.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Cd.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Cd.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Cl.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/F.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/H.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Hg.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Ir.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/N.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/O.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/O.pz-rrkjus_h.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Os.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/P.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Pb.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Pd.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Rh.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Ru.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/S.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Sb.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Se.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Si.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/clean\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/make_ps\nq-e-qe-7.6/atomic/pseudo_library/PBE/\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Ag.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Al.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/As.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Au.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/B.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Br.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/C.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Cd.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Cl.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/F.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/H.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Hg.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Ir.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/N.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/O.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/O.rel-pbe-rrkjus_h.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Os.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/P.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Pb.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Pd.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Rh.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Ru.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/S.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Sb.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Se.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Si.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/clean\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/make_ps\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Ag.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Al.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/As.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Au.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Au.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/B.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Br.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/C.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Cd.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Cd.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Cl.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/F.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/H.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Hg.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Ir.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Mg.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/N.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/O.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/O.pbe-rrkjus_h.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Os.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/P.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Pb.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Pd.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Rh.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Ru.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/S.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Sb.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Se.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Si.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Sn.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/clean\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/make_ps\nq-e-qe-7.6/atomic/pseudo_library/make_clean\nq-e-qe-7.6/atomic/pseudo_library/make_ps\nq-e-qe-7.6/atomic/src/\nq-e-qe-7.6/atomic/src/Makefile\nq-e-qe-7.6/atomic/src/add_exchange.f90\nq-e-qe-7.6/atomic/src/all_electron.f90\nq-e-qe-7.6/atomic/src/ascheq.f90\nq-e-qe-7.6/atomic/src/ascheqps.f90\nq-e-qe-7.6/atomic/src/ascheqps_drv.f90\nq-e-qe-7.6/atomic/src/atomic_paw.f90\nq-e-qe-7.6/atomic/src/c6_dft.f90\nq-e-qe-7.6/atomic/src/c6_tfvw.f90\nq-e-qe-7.6/atomic/src/calculate_gipaw_orbitals.f90\nq-e-qe-7.6/atomic/src/cfdsol.f90\nq-e-qe-7.6/atomic/src/chargeps.f90\nq-e-qe-7.6/atomic/src/compute_chi.f90\nq-e-qe-7.6/atomic/src/compute_chi_tm.f90\nq-e-qe-7.6/atomic/src/compute_phi.f90\nq-e-qe-7.6/atomic/src/compute_phi_tm.f90\nq-e-qe-7.6/atomic/src/compute_phius.f90\nq-e-qe-7.6/atomic/src/compute_potps.f90\nq-e-qe-7.6/atomic/src/compute_potps_new.f90\nq-e-qe-7.6/atomic/src/compute_q_3bess.f90\nq-e-qe-7.6/atomic/src/compute_relpert.f90\nq-e-qe-7.6/atomic/src/compute_solution.f90\nq-e-qe-7.6/atomic/src/default_conf.f90\nq-e-qe-7.6/atomic/src/descreening.f90\nq-e-qe-7.6/atomic/src/dfx_new.f90\nq-e-qe-7.6/atomic/src/dir_outward.f90\nq-e-qe-7.6/atomic/src/dirsol.f90\nq-e-qe-7.6/atomic/src/dmixp.f90\nq-e-qe-7.6/atomic/src/drho0ofvx.f90\nq-e-qe-7.6/atomic/src/drhoofv.f90\nq-e-qe-7.6/atomic/src/dvex.f90\nq-e-qe-7.6/atomic/src/el_config.f90\nq-e-qe-7.6/atomic/src/elsd.f90\nq-e-qe-7.6/atomic/src/elsd_highv.f90\nq-e-qe-7.6/atomic/src/elsdps.f90\nq-e-qe-7.6/atomic/src/elsdps_paw.f90\nq-e-qe-7.6/atomic/src/esic.f90\nq-e-qe-7.6/atomic/src/export_upf.f90\nq-e-qe-7.6/atomic/src/find_qi.f90\nq-e-qe-7.6/atomic/src/gener_pseudo.f90\nq-e-qe-7.6/atomic/src/grad_log.f90\nq-e-qe-7.6/atomic/src/green.f90\nq-e-qe-7.6/atomic/src/import_upf.f90\nq-e-qe-7.6/atomic/src/int_0_inf_dr.f90\nq-e-qe-7.6/atomic/src/integrate_inward.f90\nq-e-qe-7.6/atomic/src/integrate_outward.f90\nq-e-qe-7.6/atomic/src/intref.f90\nq-e-qe-7.6/atomic/src/inward.f90\nq-e-qe-7.6/atomic/src/kin_e_density.f90\nq-e-qe-7.6/atomic/src/kli.f90\nq-e-qe-7.6/atomic/src/ld1.f90\nq-e-qe-7.6/atomic/src/ld1_readin.f90\nq-e-qe-7.6/atomic/src/ld1_setup.f90\nq-e-qe-7.6/atomic/src/ld1_writeout.f90\nq-e-qe-7.6/atomic/src/ld1inc.f90\nq-e-qe-7.6/atomic/src/lderiv.f90\nq-e-qe-7.6/atomic/src/lderivps.f90\nq-e-qe-7.6/atomic/src/lschps.f90\nq-e-qe-7.6/atomic/src/new_potential.f90\nq-e-qe-7.6/atomic/src/newd_at.f90\nq-e-qe-7.6/atomic/src/nodenum.f90\nq-e-qe-7.6/atomic/src/normalize.f90\nq-e-qe-7.6/atomic/src/occ_spin.f90\nq-e-qe-7.6/atomic/src/outward.f90\nq-e-qe-7.6/atomic/src/parameters.f90\nq-e-qe-7.6/atomic/src/partial_wave_expansion.f90\nq-e-qe-7.6/atomic/src/paw_type.f90\nq-e-qe-7.6/atomic/src/pseudo_q.f90\nq-e-qe-7.6/atomic/src/pseudovloc.f90\nq-e-qe-7.6/atomic/src/read_pseudo_ncpp.f90\nq-e-qe-7.6/atomic/src/read_pseudo_rrkj3.f90\nq-e-qe-7.6/atomic/src/run_lda_half.f90\nq-e-qe-7.6/atomic/src/run_pseudo.f90\nq-e-qe-7.6/atomic/src/run_test.f90\nq-e-qe-7.6/atomic/src/scf.f90\nq-e-qe-7.6/atomic/src/seriebes.f90\nq-e-qe-7.6/atomic/src/set_psi_in.f90\nq-e-qe-7.6/atomic/src/set_rc_rv.f90\nq-e-qe-7.6/atomic/src/set_rho_core.f90\nq-e-qe-7.6/atomic/src/set_sl3.f90\nq-e-qe-7.6/atomic/src/sic_correction.f90\nq-e-qe-7.6/atomic/src/start_potps.f90\nq-e-qe-7.6/atomic/src/start_scheq.f90\nq-e-qe-7.6/atomic/src/starting_potential.f90\nq-e-qe-7.6/atomic/src/test_bessel.f90\nq-e-qe-7.6/atomic/src/trou.f90\nq-e-qe-7.6/atomic/src/utils.f90\nq-e-qe-7.6/atomic/src/v_of_rho_at.f90\nq-e-qe-7.6/atomic/src/vdpack.f90\nq-e-qe-7.6/atomic/src/vext.f90\nq-e-qe-7.6/atomic/src/vpack.f90\nq-e-qe-7.6/atomic/src/vxcgc.f90\nq-e-qe-7.6/atomic/src/write_ae_pseudo.f90\nq-e-qe-7.6/atomic/src/write_cpmd.f90\nq-e-qe-7.6/atomic/src/write_files.f90\nq-e-qe-7.6/atomic/src/write_paw_recon.f90\nq-e-qe-7.6/atomic/src/write_pseudo.f90\nq-e-qe-7.6/atomic/src/write_results.f90\nq-e-qe-7.6/atomic/src/write_resultsps.f90\nq-e-qe-7.6/cmake/\nq-e-qe-7.6/cmake/AddRPATH.cmake\nq-e-qe-7.6/cmake/CMakeGraphVizOptions.cmake\nq-e-qe-7.6/cmake/CrayFortranCompiler.cmake\nq-e-qe-7.6/cmake/DetermineDeviceArchitectures.cmake\nq-e-qe-7.6/cmake/DetermineGPUFeatures.cmake\nq-e-qe-7.6/cmake/FindDeviceXlib.cmake\nq-e-qe-7.6/cmake/FindELPA.cmake\nq-e-qe-7.6/cmake/FindEnviron.cmake\nq-e-qe-7.6/cmake/FindFFTW3.cmake\nq-e-qe-7.6/cmake/FindFoX.cmake\nq-e-qe-7.6/cmake/FindLibxc.cmake\nq-e-qe-7.6/cmake/FindMBD.cmake\nq-e-qe-7.6/cmake/FindSCALAPACK.cmake\nq-e-qe-7.6/cmake/FindVendorFFTW.cmake\nq-e-qe-7.6/cmake/FindWannier90.cmake\nq-e-qe-7.6/cmake/FujitsuFortranCompiler.cmake\nq-e-qe-7.6/cmake/GNUFortranCompiler.cmake\nq-e-qe-7.6/cmake/GitInfo.cmake\nq-e-qe-7.6/cmake/IBMFortranCompiler.cmake\nq-e-qe-7.6/cmake/IntelFortranCompiler.cmake\nq-e-qe-7.6/cmake/LLVMFlangCompiler.cmake\nq-e-qe-7.6/cmake/NVFortranCompiler.cmake\nq-e-qe-7.6/cmake/UseLATEX.cmake\nq-e-qe-7.6/cmake/flags/\nq-e-qe-7.6/cmake/flags/debug.cmake\nq-e-qe-7.6/cmake/flags/native.cmake\nq-e-qe-7.6/cmake/flags/native.pgi.cmake\nq-e-qe-7.6/cmake/qeConfig.cmake.in\nq-e-qe-7.6/cmake/qeHelpers.cmake\nq-e-qe-7.6/cmake/quantum_espresso.pc.in\nq-e-qe-7.6/cmake/unit_test.cmake\nq-e-qe-7.6/configure\nq-e-qe-7.6/dev-tools/\nq-e-qe-7.6/dev-tools/Makefile\nq-e-qe-7.6/dev-tools/README.helpdoc\nq-e-qe-7.6/dev-tools/README.md\nq-e-qe-7.6/dev-tools/callhtml.pl\nq-e-qe-7.6/dev-tools/calltree.pl\nq-e-qe-7.6/dev-tools/check_gui\nq-e-qe-7.6/dev-tools/check_versions.sh\nq-e-qe-7.6/dev-tools/device_props.c\nq-e-qe-7.6/dev-tools/diff_gui_help\nq-e-qe-7.6/dev-tools/exported-cmds.pwtk\nq-e-qe-7.6/dev-tools/gen-emacs-mode\nq-e-qe-7.6/dev-tools/gen-emacs-mode.tcl\nq-e-qe-7.6/dev-tools/get_device_props.py\nq-e-qe-7.6/dev-tools/guihelp.xsl\nq-e-qe-7.6/dev-tools/helpdoc\nq-e-qe-7.6/dev-tools/helpdoc.d/\nq-e-qe-7.6/dev-tools/helpdoc.d/auxil.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/gui.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/guihelp.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/helpdoc.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/modules.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/parseTags.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/readSchema.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/robodoc.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/syntax_txt.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/tclIndex\nq-e-qe-7.6/dev-tools/helpdoc.d/tree.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/txt.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/txt_enter.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/txt_leave.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/validate.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/vocabularies.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/xml.tcl\nq-e-qe-7.6/dev-tools/helpdoc.schema\nq-e-qe-7.6/dev-tools/input_xx.xsl\nq-e-qe-7.6/dev-tools/mem_analyse.py\nq-e-qe-7.6/dev-tools/mem_counter\nq-e-qe-7.6/dev-tools/mem_counter.py\nq-e-qe-7.6/dev-tools/porting/\nq-e-qe-7.6/dev-tools/porting/becmod.json\nq-e-qe-7.6/dev-tools/porting/derived_type_duplicated_module.jf90\nq-e-qe-7.6/dev-tools/porting/duplicated_module.jf90\nq-e-qe-7.6/dev-tools/porting/gen_derived.py\nq-e-qe-7.6/dev-tools/porting/gen_intrinsic.py\nq-e-qe-7.6/dev-tools/porting/regenerate_duplicated_variables.sh\nq-e-qe-7.6/dev-tools/release-checklist.md\nq-e-qe-7.6/dev-tools/src-normal\nq-e-qe-7.6/dev-tools/src-normal.py\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/README.md\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_default_mixed.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_default_nofallback.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_dim_base.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_dim_on_nonreal.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_enum_default.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_index_range.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_missing_dim.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_missing_units.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_required_default.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_units_base.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_units_exponent.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_units_nofallback.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_vocab.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/good.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/good_bare_ref.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/run-tests.sh\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/vocabularies.tcl\nq-e-qe-7.6/dev-tools/update_gui_help\nq-e-qe-7.6/dev-tools/version-update-checklist.md\nq-e-qe-7.6/dft-d3/\nq-e-qe-7.6/dft-d3/CMakeLists.txt\nq-e-qe-7.6/dft-d3/Makefile\nq-e-qe-7.6/dft-d3/README\nq-e-qe-7.6/dft-d3/api.f90\nq-e-qe-7.6/dft-d3/common.f90\nq-e-qe-7.6/dft-d3/core.f90\nq-e-qe-7.6/dft-d3/dftd3_qe.f90\nq-e-qe-7.6/dft-d3/pars.f90\nq-e-qe-7.6/dft-d3/sizes.f90\nq-e-qe-7.6/dft-d3/test_code.f90\nq-e-qe-7.6/environment_variables\nq-e-qe-7.6/external/\nq-e-qe-7.6/external/.gitignore\nq-e-qe-7.6/external/CMakeLists.txt\nq-e-qe-7.6/external/d3q/\nq-e-qe-7.6/external/devxlib/\nq-e-qe-7.6/external/devxlib.cmake\nq-e-qe-7.6/external/environ.cmake\nq-e-qe-7.6/external/fox/\nq-e-qe-7.6/external/fox.cmake\nq-e-qe-7.6/external/initialize_external_repos.sh\nq-e-qe-7.6/external/lapack/\nq-e-qe-7.6/external/mbd/\nq-e-qe-7.6/external/mbd.cmake\nq-e-qe-7.6/external/mbd.make\nq-e-qe-7.6/external/pw2qmcpack/\nq-e-qe-7.6/external/qe-gipaw/\nq-e-qe-7.6/external/submodule_commit_hash_records\nq-e-qe-7.6/external/update_commit_has_records.sh\nq-e-qe-7.6/external/wannier90/\nq-e-qe-7.6/external/wannier90.cmake\nq-e-qe-7.6/include/\nq-e-qe-7.6/include/cpv_device_macros.h\nq-e-qe-7.6/include/defs.h.README\nq-e-qe-7.6/include/qe_version.h\nq-e-qe-7.6/install/\nq-e-qe-7.6/install/README.FX10\nq-e-qe-7.6/install/aclocal.m4\nq-e-qe-7.6/install/addsonpatch.sh\nq-e-qe-7.6/install/addsontool.sh\nq-e-qe-7.6/install/build_fox_with_pgi.sh\nq-e-qe-7.6/install/config.guess\nq-e-qe-7.6/install/config.sub\nq-e-qe-7.6/install/configure.ac\nq-e-qe-7.6/install/configure.msg.in\nq-e-qe-7.6/install/extlibs_makefile\nq-e-qe-7.6/install/includedep.sh\nq-e-qe-7.6/install/install-sh\nq-e-qe-7.6/install/install_utils\nq-e-qe-7.6/install/m4/\nq-e-qe-7.6/install/m4/README\nq-e-qe-7.6/install/m4/ax_check_compile_flag.m4\nq-e-qe-7.6/install/m4/x_ac_qe_aix_dflags.m4\nq-e-qe-7.6/install/m4/x_ac_qe_ar.m4\nq-e-qe-7.6/install/m4/x_ac_qe_arch.m4\nq-e-qe-7.6/install/m4/x_ac_qe_blas.m4\nq-e-qe-7.6/install/m4/x_ac_qe_cc.m4\nq-e-qe-7.6/install/m4/x_ac_qe_cpp.m4\nq-e-qe-7.6/install/m4/x_ac_qe_cuda.m4\nq-e-qe-7.6/install/m4/x_ac_qe_default_env.m4\nq-e-qe-7.6/install/m4/x_ac_qe_elpa.m4\nq-e-qe-7.6/install/m4/x_ac_qe_environ.m4\nq-e-qe-7.6/install/m4/x_ac_qe_f90.m4\nq-e-qe-7.6/install/m4/x_ac_qe_f90rule.m4\nq-e-qe-7.6/install/m4/x_ac_qe_fft.m4\nq-e-qe-7.6/install/m4/x_ac_qe_fox.m4\nq-e-qe-7.6/install/m4/x_ac_qe_git.m4\nq-e-qe-7.6/install/m4/x_ac_qe_gpu.m4\nq-e-qe-7.6/install/m4/x_ac_qe_hdf5.m4\nq-e-qe-7.6/install/m4/x_ac_qe_lapack.m4\nq-e-qe-7.6/install/m4/x_ac_qe_ld.m4\nq-e-qe-7.6/install/m4/x_ac_qe_libxc.m4\nq-e-qe-7.6/install/m4/x_ac_qe_make_tree.m4\nq-e-qe-7.6/install/m4/x_ac_qe_makedeps.m4\nq-e-qe-7.6/install/m4/x_ac_qe_mass.m4\nq-e-qe-7.6/install/m4/x_ac_qe_mpi.m4\nq-e-qe-7.6/install/m4/x_ac_qe_mpif90.m4\nq-e-qe-7.6/install/m4/x_ac_qe_openmp.m4\nq-e-qe-7.6/install/m4/x_ac_qe_openmp_offload.m4\nq-e-qe-7.6/install/m4/x_ac_qe_plugins.m4\nq-e-qe-7.6/install/m4/x_ac_qe_ranlib.m4\nq-e-qe-7.6/install/m4/x_ac_qe_scalapack.m4\nq-e-qe-7.6/install/m4/x_ac_qe_signal.m4\nq-e-qe-7.6/install/m4/x_ac_qe_wget.m4\nq-e-qe-7.6/install/make.inc.in\nq-e-qe-7.6/install/make_lapack.inc.in\nq-e-qe-7.6/install/make_wannier90.inc.in\nq-e-qe-7.6/install/makedeps.sh\nq-e-qe-7.6/install/moduledep.sh\nq-e-qe-7.6/install/namedep.sh\nq-e-qe-7.6/install/oldlibs_makefile\nq-e-qe-7.6/install/plugins_list\nq-e-qe-7.6/install/plugins_makefile\nq-e-qe-7.6/install/refresh-configure.sh\nq-e-qe-7.6/install/tldeps\nq-e-qe-7.6/logo.jpg\nq-e-qe-7.6/pseudo/\nq-e-qe-7.6/pseudo/Au.pz-rrkjus_aewfc.UPF\nq-e-qe-7.6/pseudo/Au_ONCV_PBE_FR_.upf\nq-e-qe-7.6/pseudo/B-PBE.upf\nq-e-qe-7.6/pseudo/C-q4.gth\nq-e-qe-7.6/pseudo/C.UPF\nq-e-qe-7.6/pseudo/C_3.98148.UPF\nq-e-qe-7.6/pseudo/Fe.pz-n-nc.UPF\nq-e-qe-7.6/pseudo/H-q1.gth\nq-e-qe-7.6/pseudo/HUSPBE.RRKJ3\nq-e-qe-7.6/pseudo/H_US.van\nq-e-qe-7.6/pseudo/Mo-PBE.upf\nq-e-qe-7.6/pseudo/N-PBE.upf\nq-e-qe-7.6/pseudo/O-q6.gth\nq-e-qe-7.6/pseudo/O_US.van\nq-e-qe-7.6/pseudo/Rh.pbe-rrkjus_lb.UPF\nq-e-qe-7.6/pseudo/Rhs.pbe-rrkjus_lb.UPF\nq-e-qe-7.6/pseudo/S-PBE.upf\nq-e-qe-7.6/pseudo/Si.bhs\nq-e-qe-7.6/pseudo/Si_r.upf\nq-e-qe-7.6/pseudo/clean_ps\nq-e-qe-7.6/pseudo/pb_s.UPF\nq-e-qe-7.6/test-suite/\nq-e-qe-7.6/test-suite/.gitignore\nq-e-qe-7.6/test-suite/CMakeLists.txt\nq-e-qe-7.6/test-suite/ENVIRONMENT\nq-e-qe-7.6/test-suite/Makefile\nq-e-qe-7.6/test-suite/QEHeat_h2o/\nq-e-qe-7.6/test-suite/QEHeat_h2o/all_currents.in\nq-e-qe-7.6/test-suite/QEHeat_h2o/all_currents_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_h2o/benchmark.out.git.inp=all_currents.in\nq-e-qe-7.6/test-suite/QEHeat_h2o/benchmark.out.git.inp=all_currents_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_h2o/traj/\nq-e-qe-7.6/test-suite/QEHeat_h2o/traj/cp.pos\nq-e-qe-7.6/test-suite/QEHeat_h2o/traj/cp.vel\nq-e-qe-7.6/test-suite/QEHeat_rotation/\nq-e-qe-7.6/test-suite/QEHeat_rotation/all_currents.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/all_currents_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/all_currents_not_rotated.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/all_currents_not_rotated_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_not_rotated.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_not_rotated_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/generate_all_currents.in.sh\nq-e-qe-7.6/test-suite/QEHeat_rotation/inpos\nq-e-qe-7.6/test-suite/QEHeat_rotation/invel\nq-e-qe-7.6/test-suite/QEHeat_rotation/rotate.py\nq-e-qe-7.6/test-suite/QEHeat_rotation/rotate_run.sh\nq-e-qe-7.6/test-suite/QEHeat_rotation/types\nq-e-qe-7.6/test-suite/QEHeat_translation/\nq-e-qe-7.6/test-suite/QEHeat_translation/README\nq-e-qe-7.6/test-suite/QEHeat_translation/benchmark.out.git.inp=input.in\nq-e-qe-7.6/test-suite/QEHeat_translation/benchmark.out.git.inp=input_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_translation/benchmark.out.git.inp=input_ar.in\nq-e-qe-7.6/test-suite/QEHeat_translation/benchmark.out.git.inp=input_ar_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_translation/input.in\nq-e-qe-7.6/test-suite/QEHeat_translation/input_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_translation/input_ar.in\nq-e-qe-7.6/test-suite/QEHeat_translation/input_ar_2pt.in\nq-e-qe-7.6/test-suite/README\nq-e-qe-7.6/test-suite/README_CMake\nq-e-qe-7.6/test-suite/benchmarks/\nq-e-qe-7.6/test-suite/benchmarks/CMakeLists.txt\nq-e-qe-7.6/test-suite/benchmarks/pw/\nq-e-qe-7.6/test-suite/benchmarks/pw/ausurf.in\nq-e-qe-7.6/test-suite/benchmarks/pw/psiwat.in\nq-e-qe-7.6/test-suite/buildbot/\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/README.txt\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/README.txt.libxc\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_Anvf227_para_GPU.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_aocc_flang_openmpi507.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi316-dbg.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404-nimage.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_hdf5.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_libxc.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_openmp.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_serial.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_intel20_openmpi412.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_nvf217_openmpi315.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_nvf217_serial_GPU.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_oneapi_impi.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/master.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/worker.py\nq-e-qe-7.6/test-suite/check_pseudo.sh\nq-e-qe-7.6/test-suite/cp_al_edft/\nq-e-qe-7.6/test-suite/cp_al_edft/Al.in\nq-e-qe-7.6/test-suite/cp_al_edft/Al.uspp.in\nq-e-qe-7.6/test-suite/cp_al_edft/benchmark.out.git.inp=Al.in\nq-e-qe-7.6/test-suite/cp_al_edft/benchmark.out.git.inp=Al.uspp.in\nq-e-qe-7.6/test-suite/cp_cluster/\nq-e-qe-7.6/test-suite/cp_cluster/benchmark.out.git.inp=cluster4.in\nq-e-qe-7.6/test-suite/cp_cluster/benchmark.out.git.inp=cluster6.in\nq-e-qe-7.6/test-suite/cp_cluster/cluster4.in\nq-e-qe-7.6/test-suite/cp_cluster/cluster6.in\nq-e-qe-7.6/test-suite/cp_h2o/\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-1.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-2.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-3.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-4.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-5.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-6.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-7.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-cg.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-1.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-2.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-3.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-4.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-5.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-6.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-7.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-cg.in\nq-e-qe-7.6/test-suite/cp_h2o_exx/\nq-e-qe-7.6/test-suite/cp_h2o_exx/benchmark.out.git.inp=h2o-mt-b3lyp-1.in\nq-e-qe-7.6/test-suite/cp_h2o_exx/benchmark.out.git.inp=h2o-mt-exx_fraction.in\nq-e-qe-7.6/test-suite/cp_h2o_exx/h2o-mt-b3lyp-1.in\nq-e-qe-7.6/test-suite/cp_h2o_exx/h2o-mt-exx_fraction.in\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/benchmark.out.git.inp=nspin1.in\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/benchmark.out.git.inp=nspin2.in\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/nspin1.in\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/nspin2.in\nq-e-qe-7.6/test-suite/cp_h2o_wf/\nq-e-qe-7.6/test-suite/cp_h2o_wf/README\nq-e-qe-7.6/test-suite/cp_h2o_wf/benchmark.out.git.inp=h2o-nspin1.in\nq-e-qe-7.6/test-suite/cp_h2o_wf/benchmark.out.git.inp=h2o-nspin2.in\nq-e-qe-7.6/test-suite/cp_h2o_wf/h2o-nspin1.in\nq-e-qe-7.6/test-suite/cp_h2o_wf/h2o-nspin2.in\nq-e-qe-7.6/test-suite/cp_o2/\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-1.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-2.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-3.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-4.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-5.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-6.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-1.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-2.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-3.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-4.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-5.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-6.in\nq-e-qe-7.6/test-suite/cp_si/\nq-e-qe-7.6/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-1.in\nq-e-qe-7.6/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-2.in\nq-e-qe-7.6/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-3.in\nq-e-qe-7.6/test-suite/cp_si/si-vbc-lda-1.in\nq-e-qe-7.6/test-suite/cp_si/si-vbc-lda-2.in\nq-e-qe-7.6/test-suite/cp_si/si-vbc-lda-3.in\nq-e-qe-7.6/test-suite/cp_sio2/\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-1.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-2.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-3.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-4.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-cg.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-1.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-2.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-cg.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-1.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-2.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-3.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-4.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-cg.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-pbe-1.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-pbe-2.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-pbe-cg.in\nq-e-qe-7.6/test-suite/ctest_runner.sh\nq-e-qe-7.6/test-suite/epw_2D/\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw3.in.args=10\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw5.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw6.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw8.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=scf.in.args=0\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=scf_epw.in.args=0\nq-e-qe-7.6/test-suite/epw_2D/epw1.in\nq-e-qe-7.6/test-suite/epw_2D/epw2.in\nq-e-qe-7.6/test-suite/epw_2D/epw3.in\nq-e-qe-7.6/test-suite/epw_2D/epw4.in\nq-e-qe-7.6/test-suite/epw_2D/epw5.in\nq-e-qe-7.6/test-suite/epw_2D/epw6.in\nq-e-qe-7.6/test-suite/epw_2D/epw7.in\nq-e-qe-7.6/test-suite/epw_2D/epw8.in\nq-e-qe-7.6/test-suite/epw_2D/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_2D/ph.in\nq-e-qe-7.6/test-suite/epw_2D/pp.in\nq-e-qe-7.6/test-suite/epw_2D/quadrupole.fmt\nq-e-qe-7.6/test-suite/epw_2D/scf.in\nq-e-qe-7.6/test-suite/epw_2D/scf_epw.in\nq-e-qe-7.6/test-suite/epw_base/\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw10.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw11.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw12.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw13.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw9.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_base/epw.in\nq-e-qe-7.6/test-suite/epw_base/epw1.in\nq-e-qe-7.6/test-suite/epw_base/epw10.in\nq-e-qe-7.6/test-suite/epw_base/epw11.in\nq-e-qe-7.6/test-suite/epw_base/epw12.in\nq-e-qe-7.6/test-suite/epw_base/epw13.in\nq-e-qe-7.6/test-suite/epw_base/epw2.in\nq-e-qe-7.6/test-suite/epw_base/epw3.in\nq-e-qe-7.6/test-suite/epw_base/epw4.in\nq-e-qe-7.6/test-suite/epw_base/epw5.in\nq-e-qe-7.6/test-suite/epw_base/epw6.in\nq-e-qe-7.6/test-suite/epw_base/epw9.in\nq-e-qe-7.6/test-suite/epw_base/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_base/path.dat\nq-e-qe-7.6/test-suite/epw_base/ph.in\nq-e-qe-7.6/test-suite/epw_base/pp.in\nq-e-qe-7.6/test-suite/epw_base/scf.in\nq-e-qe-7.6/test-suite/epw_base/scf_epw.in\nq-e-qe-7.6/test-suite/epw_hall/\nq-e-qe-7.6/test-suite/epw_hall/LGXKG4.txt\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw5.in.args=5\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=scf.in.args=0\nq-e-qe-7.6/test-suite/epw_hall/epw1.in\nq-e-qe-7.6/test-suite/epw_hall/epw2.in\nq-e-qe-7.6/test-suite/epw_hall/epw3.in\nq-e-qe-7.6/test-suite/epw_hall/epw4.in\nq-e-qe-7.6/test-suite/epw_hall/epw5.in\nq-e-qe-7.6/test-suite/epw_hall/nscf.in\nq-e-qe-7.6/test-suite/epw_hall/ph.in\nq-e-qe-7.6/test-suite/epw_hall/pp.in\nq-e-qe-7.6/test-suite/epw_hall/quadrupole.fmt\nq-e-qe-7.6/test-suite/epw_hall/scf.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw1_dn.in.args=3\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw1_up.in.args=3\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw2_dn.in.args=3\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw2_up.in.args=3\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw3_dn.in.args=5\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw3_up.in.args=5\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw1_dn.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw1_up.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw2_dn.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw2_up.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw3_dn.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw3_up.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/nscf.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/ph.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/pp.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/scf.in\nq-e-qe-7.6/test-suite/epw_metal/\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw1_dn.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw1_up.in.args=5\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw2_dn.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw2_up.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw3_dn.in.args=5\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw3_up.in.args=5\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw5.in.args=10\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw6.in.args=11\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=nscf_epw_lsda.in.args=1\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=scf_epw_lsda.in.args=1\nq-e-qe-7.6/test-suite/epw_metal/epw1.in\nq-e-qe-7.6/test-suite/epw_metal/epw1_dn.in\nq-e-qe-7.6/test-suite/epw_metal/epw1_up.in\nq-e-qe-7.6/test-suite/epw_metal/epw2.in\nq-e-qe-7.6/test-suite/epw_metal/epw2_dn.in\nq-e-qe-7.6/test-suite/epw_metal/epw2_up.in\nq-e-qe-7.6/test-suite/epw_metal/epw3.in\nq-e-qe-7.6/test-suite/epw_metal/epw3_dn.in\nq-e-qe-7.6/test-suite/epw_metal/epw3_up.in\nq-e-qe-7.6/test-suite/epw_metal/epw4.in\nq-e-qe-7.6/test-suite/epw_metal/epw5.in\nq-e-qe-7.6/test-suite/epw_metal/epw6.in\nq-e-qe-7.6/test-suite/epw_metal/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_metal/nscf_epw_lsda.in\nq-e-qe-7.6/test-suite/epw_metal/ph.in\nq-e-qe-7.6/test-suite/epw_metal/pp.in\nq-e-qe-7.6/test-suite/epw_metal/save/\nq-e-qe-7.6/test-suite/epw_metal/save/ifc.q2r\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dvscf_q1\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dvscf_q2\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dvscf_q3\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dvscf_q4\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dyn_q1\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dyn_q2\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dyn_q3\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dyn_q4\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/control_ph.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/patterns.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/patterns.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/patterns.3.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/patterns.4.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/status_run.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/ifc.q2r\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dvscf_q1\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dvscf_q2\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dvscf_q3\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dvscf_q4\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dyn_q1\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dyn_q2\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dyn_q3\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dyn_q4\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/control_ph.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/patterns.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/patterns.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/patterns.3.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/patterns.4.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/status_run.xml\nq-e-qe-7.6/test-suite/epw_metal/scf.in\nq-e-qe-7.6/test-suite/epw_metal/scf_epw.in\nq-e-qe-7.6/test-suite/epw_metal/scf_epw_lsda.in\nq-e-qe-7.6/test-suite/epw_metal/scf_lsda.in\nq-e-qe-7.6/test-suite/epw_mob/\nq-e-qe-7.6/test-suite/epw_mob/LGX.txt\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob/epw1.in\nq-e-qe-7.6/test-suite/epw_mob/epw2.in\nq-e-qe-7.6/test-suite/epw_mob/epw3.in\nq-e-qe-7.6/test-suite/epw_mob/epw4.in\nq-e-qe-7.6/test-suite/epw_mob/epw5.in\nq-e-qe-7.6/test-suite/epw_mob/epw6.in\nq-e-qe-7.6/test-suite/epw_mob/kpt.txt\nq-e-qe-7.6/test-suite/epw_mob/nscf.in\nq-e-qe-7.6/test-suite/epw_mob/ph.in\nq-e-qe-7.6/test-suite/epw_mob/pp.in\nq-e-qe-7.6/test-suite/epw_mob/pp.py\nq-e-qe-7.6/test-suite/epw_mob/q2r.in\nq-e-qe-7.6/test-suite/epw_mob/scf.in\nq-e-qe-7.6/test-suite/epw_mob/si.eig\nq-e-qe-7.6/test-suite/epw_mob_U/\nq-e-qe-7.6/test-suite/epw_mob_U/LGX.dat\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_U/epw1.in\nq-e-qe-7.6/test-suite/epw_mob_U/epw2.in\nq-e-qe-7.6/test-suite/epw_mob_U/epw3.in\nq-e-qe-7.6/test-suite/epw_mob_U/epw4.in\nq-e-qe-7.6/test-suite/epw_mob_U/nscf.in\nq-e-qe-7.6/test-suite/epw_mob_U/ph.in\nq-e-qe-7.6/test-suite/epw_mob_U/pp.in\nq-e-qe-7.6/test-suite/epw_mob_U/scf.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/\nq-e-qe-7.6/test-suite/epw_mob_ibte/LGX.txt\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_ibte/epw1.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/epw2.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/epw3.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/nscf.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/ph.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/pp.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/q2r.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/scf.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/LGX.txt\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw6.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw8.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw9.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw1.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw2.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw3.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw4.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw5.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw6.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw7.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw8.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw9.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/nscf.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/ph.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/pp.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/q2r.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/scf.in\nq-e-qe-7.6/test-suite/epw_mob_polar/\nq-e-qe-7.6/test-suite/epw_mob_polar/Ga-LDA.upf\nq-e-qe-7.6/test-suite/epw_mob_polar/MGA.txt\nq-e-qe-7.6/test-suite/epw_mob_polar/N-LDA.upf\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_polar/epw1.in\nq-e-qe-7.6/test-suite/epw_mob_polar/epw2.in\nq-e-qe-7.6/test-suite/epw_mob_polar/epw3.in\nq-e-qe-7.6/test-suite/epw_mob_polar/nscf.in\nq-e-qe-7.6/test-suite/epw_mob_polar/ph.in\nq-e-qe-7.6/test-suite/epw_mob_polar/pp.in\nq-e-qe-7.6/test-suite/epw_mob_polar/scf.in\nq-e-qe-7.6/test-suite/epw_pl/\nq-e-qe-7.6/test-suite/epw_pl/LGX.txt\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_pl/epw1.in\nq-e-qe-7.6/test-suite/epw_pl/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_pl/ph.in\nq-e-qe-7.6/test-suite/epw_pl/pp.in\nq-e-qe-7.6/test-suite/epw_pl/qgrid.txt\nq-e-qe-7.6/test-suite/epw_pl/scf.in\nq-e-qe-7.6/test-suite/epw_pl/scf_epw.in\nq-e-qe-7.6/test-suite/epw_plrn/\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_plrn/epw1.in\nq-e-qe-7.6/test-suite/epw_plrn/epw2.in\nq-e-qe-7.6/test-suite/epw_plrn/nscf.in\nq-e-qe-7.6/test-suite/epw_plrn/ph.in\nq-e-qe-7.6/test-suite/epw_plrn/pp.in\nq-e-qe-7.6/test-suite/epw_plrn/scf.in\nq-e-qe-7.6/test-suite/epw_polar/\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_polar/epw1.in\nq-e-qe-7.6/test-suite/epw_polar/epw3.in\nq-e-qe-7.6/test-suite/epw_polar/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_polar/ph.in\nq-e-qe-7.6/test-suite/epw_polar/pp.in\nq-e-qe-7.6/test-suite/epw_polar/scf.in\nq-e-qe-7.6/test-suite/epw_polar/scf_epw.in\nq-e-qe-7.6/test-suite/epw_qdpt/\nq-e-qe-7.6/test-suite/epw_qdpt/LGX.txt\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_qdpt/epw1.in\nq-e-qe-7.6/test-suite/epw_qdpt/epw2.in\nq-e-qe-7.6/test-suite/epw_qdpt/epw2_no_elpa.in\nq-e-qe-7.6/test-suite/epw_qdpt/nscf.in\nq-e-qe-7.6/test-suite/epw_qdpt/ph.in\nq-e-qe-7.6/test-suite/epw_qdpt/pp.in\nq-e-qe-7.6/test-suite/epw_qdpt/pp.py\nq-e-qe-7.6/test-suite/epw_qdpt/q2r.in\nq-e-qe-7.6/test-suite/epw_qdpt/scf.in\nq-e-qe-7.6/test-suite/epw_soc/\nq-e-qe-7.6/test-suite/epw_soc/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_soc/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_soc/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_soc/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_soc/epw1.in\nq-e-qe-7.6/test-suite/epw_soc/epw2.in\nq-e-qe-7.6/test-suite/epw_soc/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_soc/ph.in\nq-e-qe-7.6/test-suite/epw_soc/pp.in\nq-e-qe-7.6/test-suite/epw_soc/save/\nq-e-qe-7.6/test-suite/epw_soc/save/ifc.q2r.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dvscf_q1\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dvscf_q2\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dvscf_q3\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dvscf_q4\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dyn_q1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dyn_q2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dyn_q3.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dyn_q4.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/control_ph.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/patterns.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/patterns.2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/patterns.3.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/patterns.4.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/status_run.xml\nq-e-qe-7.6/test-suite/epw_soc/scf.in\nq-e-qe-7.6/test-suite/epw_soc/scf_epw.in\nq-e-qe-7.6/test-suite/epw_super/\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw8.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=nscf2supercond.in.args=9\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=nscf_outerbands.in.args=1\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_super/epw1.in\nq-e-qe-7.6/test-suite/epw_super/epw2.in\nq-e-qe-7.6/test-suite/epw_super/epw3.in\nq-e-qe-7.6/test-suite/epw_super/epw4.in\nq-e-qe-7.6/test-suite/epw_super/epw5.in\nq-e-qe-7.6/test-suite/epw_super/epw6.in\nq-e-qe-7.6/test-suite/epw_super/epw7.in\nq-e-qe-7.6/test-suite/epw_super/epw8.in\nq-e-qe-7.6/test-suite/epw_super/nscf2supercond.in\nq-e-qe-7.6/test-suite/epw_super/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_super/nscf_outerbands.in\nq-e-qe-7.6/test-suite/epw_super/ph.in\nq-e-qe-7.6/test-suite/epw_super/pp.in\nq-e-qe-7.6/test-suite/epw_super/scf.in\nq-e-qe-7.6/test-suite/epw_super/scf_epw.in\nq-e-qe-7.6/test-suite/epw_tdbe/\nq-e-qe-7.6/test-suite/epw_tdbe/LGX.txt\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_tdbe/epw1.in\nq-e-qe-7.6/test-suite/epw_tdbe/epw2.in\nq-e-qe-7.6/test-suite/epw_tdbe/epw3.in\nq-e-qe-7.6/test-suite/epw_tdbe/nscf.in\nq-e-qe-7.6/test-suite/epw_tdbe/ph.in\nq-e-qe-7.6/test-suite/epw_tdbe/pp.in\nq-e-qe-7.6/test-suite/epw_tdbe/scf.in\nq-e-qe-7.6/test-suite/epw_trev/\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_trev/epw1.in\nq-e-qe-7.6/test-suite/epw_trev/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_trev/ph.in\nq-e-qe-7.6/test-suite/epw_trev/pp.in\nq-e-qe-7.6/test-suite/epw_trev/scf.in\nq-e-qe-7.6/test-suite/epw_trev/scf_epw.in\nq-e-qe-7.6/test-suite/epw_trev_paw/\nq-e-qe-7.6/test-suite/epw_trev_paw/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_trev_paw/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev_paw/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_trev_paw/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev_paw/epw1.in\nq-e-qe-7.6/test-suite/epw_trev_paw/nscf.in\nq-e-qe-7.6/test-suite/epw_trev_paw/path.dat\nq-e-qe-7.6/test-suite/epw_trev_paw/pathq.dat\nq-e-qe-7.6/test-suite/epw_trev_paw/ph.in\nq-e-qe-7.6/test-suite/epw_trev_paw/pp.in\nq-e-qe-7.6/test-suite/epw_trev_paw/scf.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/\nq-e-qe-7.6/test-suite/epw_trev_uspp/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_trev_uspp/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev_uspp/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_trev_uspp/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev_uspp/epw1.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/nscf.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/path.dat\nq-e-qe-7.6/test-suite/epw_trev_uspp/pathq.dat\nq-e-qe-7.6/test-suite/epw_trev_uspp/ph.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/pp.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/scf.in\nq-e-qe-7.6/test-suite/epw_wfpt/\nq-e-qe-7.6/test-suite/epw_wfpt/.gitignore\nq-e-qe-7.6/test-suite/epw_wfpt/README.md\nq-e-qe-7.6/test-suite/epw_wfpt/ahc1.in\nq-e-qe-7.6/test-suite/epw_wfpt/ahc2.in\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=ahc1.in.args=7\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=ahc2.in.args=7\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw11.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw12.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw21.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw22.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw23.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=matdyn.in.args=6\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=nscf1.in.args=1\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=nscf2.in.args=1\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_wfpt/epw11.in\nq-e-qe-7.6/test-suite/epw_wfpt/epw12.in\nq-e-qe-7.6/test-suite/epw_wfpt/epw21.in\nq-e-qe-7.6/test-suite/epw_wfpt/epw22.in\nq-e-qe-7.6/test-suite/epw_wfpt/epw23.in\nq-e-qe-7.6/test-suite/epw_wfpt/kpath.GammaX.txt\nq-e-qe-7.6/test-suite/epw_wfpt/matdyn.in\nq-e-qe-7.6/test-suite/epw_wfpt/nscf1.in\nq-e-qe-7.6/test-suite/epw_wfpt/nscf2.in\nq-e-qe-7.6/test-suite/epw_wfpt/ph.in\nq-e-qe-7.6/test-suite/epw_wfpt/postahc1.in\nq-e-qe-7.6/test-suite/epw_wfpt/postahc2.in\nq-e-qe-7.6/test-suite/epw_wfpt/pp.in\nq-e-qe-7.6/test-suite/epw_wfpt/q2r.in\nq-e-qe-7.6/test-suite/epw_wfpt/scf.in\nq-e-qe-7.6/test-suite/extract-all_currents.sh\nq-e-qe-7.6/test-suite/extract-cp.sh\nq-e-qe-7.6/test-suite/extract-epw.sh\nq-e-qe-7.6/test-suite/extract-hp.sh\nq-e-qe-7.6/test-suite/extract-image.sh\nq-e-qe-7.6/test-suite/extract-kcw.sh\nq-e-qe-7.6/test-suite/extract-oscdft-pp.sh\nq-e-qe-7.6/test-suite/extract-ph.sh\nq-e-qe-7.6/test-suite/extract-pioud.sh\nq-e-qe-7.6/test-suite/extract-pp.sh\nq-e-qe-7.6/test-suite/extract-pw.sh\nq-e-qe-7.6/test-suite/extract-tddfpt.sh\nq-e-qe-7.6/test-suite/extract-zg.sh\nq-e-qe-7.6/test-suite/gpu-resource-example.json\nq-e-qe-7.6/test-suite/hp_insulator_paw/\nq-e-qe-7.6/test-suite/hp_insulator_paw/BN.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_paw/BN.scf.in\nq-e-qe-7.6/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/CrI3.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/CrI3.scf.1.in\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/CrI3.scf.2.in\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.scf.1.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.scf.2.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us/\nq-e-qe-7.6/test-suite/hp_insulator_us/LiCoO2.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_us/LiCoO2.scf.in\nq-e-qe-7.6/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/LiCoO2.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/LiCoO2.scf.in\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/NiO.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/NiO.scf.1.in\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/NiO.scf.2.in\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=2\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=2\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/Fe.hp.in\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/Fe.scf.in\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/benchmark.out.git.inp=Fe.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/benchmark.out.git.inp=Fe.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/LiNiO2.hp.in\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/LiNiO2.scf.in\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/benchmark.out.git.inp=LiNiO2.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/benchmark.out.git.inp=LiNiO2.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_metal_us_magn/\nq-e-qe-7.6/test-suite/hp_metal_us_magn/Ni.hp.in\nq-e-qe-7.6/test-suite/hp_metal_us_magn/Ni.scf.in\nq-e-qe-7.6/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/bn.hp.in\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/bn.scf.in\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/au.hp.in\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/au.scf.in\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/bn.hp.in\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/bn.scf.in\nq-e-qe-7.6/test-suite/image_para/\nq-e-qe-7.6/test-suite/image_para/benchmark.out.git.inp=si.ph.in.args=2\nq-e-qe-7.6/test-suite/image_para/benchmark.out.git.inp=si.scf.in.args=1\nq-e-qe-7.6/test-suite/image_para/si.ph.in\nq-e-qe-7.6/test-suite/image_para/si.scf.in\nq-e-qe-7.6/test-suite/jobconfig\nq-e-qe-7.6/test-suite/kcw_ks/\nq-e-qe-7.6/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-ham.in.args=7\nq-e-qe-7.6/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-screen.in.args=16\nq-e-qe-7.6/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-wann2kcw.in.args=15\nq-e-qe-7.6/test-suite/kcw_ks/benchmark.out.git.inp=h2o.scf.in.args=1\nq-e-qe-7.6/test-suite/kcw_ks/h2o.kcw-ham.in\nq-e-qe-7.6/test-suite/kcw_ks/h2o.kcw-screen.in\nq-e-qe-7.6/test-suite/kcw_ks/h2o.kcw-wann2kcw.in\nq-e-qe-7.6/test-suite/kcw_ks/h2o.scf.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.kcw-ham.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.kcw-screen.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.kcw-wann2kcw.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.pw2wann.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.scf.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.win\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-ham.in.args=7\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-screen.in.args=6\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-wann2kcw.in.args=5\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.pw2wann.in.args=3\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.scf.in.args=1\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.win.args=2\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.win.args=4\nq-e-qe-7.6/test-suite/kcw_wann/\nq-e-qe-7.6/test-suite/kcw_wann/Si.kcw-ham.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.kcw-screen.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.kcw-wann2kcw.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.pw2wann.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.scf.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.win\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-ham.in.args=7\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-screen.in.args=6\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-wann2kcw.in.args=5\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.pw2wann.in.args=3\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.scf.in.args=1\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.win.args=2\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.win.args=4\nq-e-qe-7.6/test-suite/kcw_wann_sym/\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.kcw-ham.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.kcw-screen.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.kcw-wann2kcw.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.pw2wann.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.scf.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.win\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-ham.in.args=7\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-screen.in.args=6\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-wann2kcw.in.args=5\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.pw2wann.in.args=3\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.scf.in.args=1\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.win.args=2\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.win.args=4\nq-e-qe-7.6/test-suite/noexe/\nq-e-qe-7.6/test-suite/noexe/benchmark.out.git.inp=langevin.in\nq-e-qe-7.6/test-suite/noexe/benchmark.out.git.inp=langevin_smc.in\nq-e-qe-7.6/test-suite/noexe/benchmark.out.git.inp=md_verlet_wall.in\nq-e-qe-7.6/test-suite/noexe/langevin.in\nq-e-qe-7.6/test-suite/noexe/langevin_smc.in\nq-e-qe-7.6/test-suite/noexe/md_verlet_wall.in\nq-e-qe-7.6/test-suite/not_epw_comp/\nq-e-qe-7.6/test-suite/not_epw_comp/epw1.in\nq-e-qe-7.6/test-suite/not_epw_comp/grid.py\nq-e-qe-7.6/test-suite/not_epw_comp/nscf_epw.in\nq-e-qe-7.6/test-suite/not_epw_comp/ph.in\nq-e-qe-7.6/test-suite/not_epw_comp/ph_epw.in\nq-e-qe-7.6/test-suite/not_epw_comp/scf.in\nq-e-qe-7.6/test-suite/not_epw_comp/scf_epw.in\nq-e-qe-7.6/test-suite/not_epw_scdm/\nq-e-qe-7.6/test-suite/not_epw_scdm/LGX.txt\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/not_epw_scdm/epw1.in\nq-e-qe-7.6/test-suite/not_epw_scdm/epw2.in\nq-e-qe-7.6/test-suite/not_epw_scdm/epw3.in\nq-e-qe-7.6/test-suite/not_epw_scdm/nscf.in\nq-e-qe-7.6/test-suite/not_epw_scdm/ph.in\nq-e-qe-7.6/test-suite/not_epw_scdm/pp.in\nq-e-qe-7.6/test-suite/not_epw_scdm/scf.in\nq-e-qe-7.6/test-suite/oscdft_pp/\nq-e-qe-7.6/test-suite/oscdft_pp/benchmark.out.git.inp=normalize.in.args=3_normalize.oscdft.in_pw.in\nq-e-qe-7.6/test-suite/oscdft_pp/benchmark.out.git.inp=view.in.args=3_view.oscdft.in_pw.in\nq-e-qe-7.6/test-suite/oscdft_pp/normalize.in\nq-e-qe-7.6/test-suite/oscdft_pp/normalize.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pp/pw.in\nq-e-qe-7.6/test-suite/oscdft_pp/view.in\nq-e-qe-7.6/test-suite/oscdft_pp/view.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=k.in.args=2_k.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=nooscdft.in.args=1\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=normcons.in.args=2_normcons.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=relax.in.args=2_scf.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=scf.in.args=2_scf.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=view.in.args=2_view.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/k.in\nq-e-qe-7.6/test-suite/oscdft_pw/k.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/nooscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/normcons.in\nq-e-qe-7.6/test-suite/oscdft_pw/normcons.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/relax.in\nq-e-qe-7.6/test-suite/oscdft_pw/scf.in\nq-e-qe-7.6/test-suite/oscdft_pw/scf.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/view.in\nq-e-qe-7.6/test-suite/oscdft_pw/view.oscdft.in\nq-e-qe-7.6/test-suite/ph_1d/\nq-e-qe-7.6/test-suite/ph_1d/benchmark.out.git.inp=ch4.dynmat.in.args=9\nq-e-qe-7.6/test-suite/ph_1d/benchmark.out.git.inp=ch4.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_1d/benchmark.out.git.inp=ch4.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_1d/ch4.dynmat.in\nq-e-qe-7.6/test-suite/ph_1d/ch4.ph.in\nq-e-qe-7.6/test-suite/ph_1d/ch4.scf.in\nq-e-qe-7.6/test-suite/ph_2d/\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=matdyn1.in.args=8\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=matdyn2.in.args=8\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=q2r1.in.args=3\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=q2r2.in.args=3\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/ph_2d/matdyn1.in\nq-e-qe-7.6/test-suite/ph_2d/matdyn2.in\nq-e-qe-7.6/test-suite/ph_2d/ph.in\nq-e-qe-7.6/test-suite/ph_2d/q2r1.in\nq-e-qe-7.6/test-suite/ph_2d/q2r2.in\nq-e-qe-7.6/test-suite/ph_2d/scf.in\nq-e-qe-7.6/test-suite/ph_2d_metal/\nq-e-qe-7.6/test-suite/ph_2d_metal/benchmark.out.git.inp=phG.in.args=2\nq-e-qe-7.6/test-suite/ph_2d_metal/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/ph_2d_metal/phG.in\nq-e-qe-7.6/test-suite/ph_2d_metal/scf.in\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/Ni.ph.in\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/Ni.scf.in\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/benchmark.out.git.inp=Ni.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/BN.phG.in\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/BN.phq.in\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/BN.scf.in\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.phq.in.args=2\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_U_insulator_us/\nq-e-qe-7.6/test-suite/ph_U_insulator_us/BN.phG.in\nq-e-qe-7.6/test-suite/ph_U_insulator_us/BN.phq.in\nq-e-qe-7.6/test-suite/ph_U_insulator_us/BN.scf.in\nq-e-qe-7.6/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.phq.in.args=2\nq-e-qe-7.6/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_U_metal_paw/\nq-e-qe-7.6/test-suite/ph_U_metal_paw/Ni.phq.in\nq-e-qe-7.6/test-suite/ph_U_metal_paw/Ni.scf.in\nq-e-qe-7.6/test-suite/ph_U_metal_paw/benchmark.out.git.inp=Ni.phq.in.args=2\nq-e-qe-7.6/test-suite/ph_U_metal_paw/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_U_metal_us/\nq-e-qe-7.6/test-suite/ph_U_metal_us/Fe.ph.in\nq-e-qe-7.6/test-suite/ph_U_metal_us/Fe.scf.in\nq-e-qe-7.6/test-suite/ph_U_metal_us/benchmark.out.git.inp=Fe.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_U_metal_us/benchmark.out.git.inp=Fe.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_bas/\nq-e-qe-7.6/test-suite/ph_ahc_bas/.gitignore\nq-e-qe-7.6/test-suite/ph_ahc_bas/ahc1.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/ahc2.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc.in.args=2\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc1.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc2.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=dvscfq2r.in.args=6\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=matdyn1.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=matdyn2.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=postahc1.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=postahc2.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=q2r.in.args=3\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_bas/dvscfq2r.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/matdyn1.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/matdyn2.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/nscf.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/ph.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/postahc1.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/postahc2.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/q2r.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/scf.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/\nq-e-qe-7.6/test-suite/ph_ahc_diam/.gitignore\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc1.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc2.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc3.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.dvscfq2r.doneutral.in.args=6\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.dvscfq2r.in.args=6\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn1.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn2.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn3.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.nscf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.nscf.nosym.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc1.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc2.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc3.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.q2r.in.args=3\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.ahc1.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.ahc2.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.ahc3.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.dvscfq2r.doneutral.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.dvscfq2r.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.matdyn1.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.matdyn2.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.matdyn3.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.nscf.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.nscf.nosym.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.ph.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.postahc1.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.postahc2.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.postahc3.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.q2r.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.scf.in\nq-e-qe-7.6/test-suite/ph_base/\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=c.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=c.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=ni.phX.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=ni.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=nipaw.phX.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=nipaw.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=si.ph.in.args=8\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=si.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=si.phX.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=si.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_base/c.phG.in\nq-e-qe-7.6/test-suite/ph_base/c.scf.in\nq-e-qe-7.6/test-suite/ph_base/ni.phX.in\nq-e-qe-7.6/test-suite/ph_base/ni.scf.in\nq-e-qe-7.6/test-suite/ph_base/nipaw.phX.in\nq-e-qe-7.6/test-suite/ph_base/nipaw.scf.in\nq-e-qe-7.6/test-suite/ph_base/si.phG.in\nq-e-qe-7.6/test-suite/ph_base/si.phX.in\nq-e-qe-7.6/test-suite/ph_base/si.scf.in\nq-e-qe-7.6/test-suite/ph_diag_direct/\nq-e-qe-7.6/test-suite/ph_diag_direct/benchmark.out.git.inp=ph-davidson.in.args=2\nq-e-qe-7.6/test-suite/ph_diag_direct/benchmark.out.git.inp=ph-direct.in.args=2\nq-e-qe-7.6/test-suite/ph_diag_direct/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/ph_diag_direct/ph-davidson.in\nq-e-qe-7.6/test-suite/ph_diag_direct/ph-direct.in\nq-e-qe-7.6/test-suite/ph_diag_direct/scf.in\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/O2.phG.in\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/O2.scf.1.in\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/O2.scf.2.in\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.scf.1.in.args=1\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.scf.2.in.args=1\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/NiO.phG.in\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/NiO.scf.1.in\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/NiO.scf.2.in\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=1\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=1\nq-e-qe-7.6/test-suite/ph_interpol_metal/\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.dvscfq2r.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.elph.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.elph.interpol.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.ph.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.scf.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.dvscfq2r.in.args=6\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.elph.in.args=2\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.elph.interpol.in.args=10\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_metal/\nq-e-qe-7.6/test-suite/ph_metal/al.elph.in\nq-e-qe-7.6/test-suite/ph_metal/al.elph.notrans.in\nq-e-qe-7.6/test-suite/ph_metal/al.scf.fit.in\nq-e-qe-7.6/test-suite/ph_metal/al.scf.in\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=al.elph.in.args=2\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=al.elph.notrans.in.args=10\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=al.scf.fit.in.args=1\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=al.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=lambda.in.args=5\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=matdyn.in.dos.args=4\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=matdyn.in.freq.args=4\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=q2r.in.args=3\nq-e-qe-7.6/test-suite/ph_metal/lambda.in\nq-e-qe-7.6/test-suite/ph_metal/matdyn.in.dos\nq-e-qe-7.6/test-suite/ph_metal/matdyn.in.freq\nq-e-qe-7.6/test-suite/ph_metal/q2r.in\nq-e-qe-7.6/test-suite/ph_multipole/\nq-e-qe-7.6/test-suite/ph_multipole/README.txt\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.01.args=2\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.02.args=2\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.03.args=2\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.04.args=13\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=scf.in.args=12\nq-e-qe-7.6/test-suite/ph_multipole/multipole.py\nq-e-qe-7.6/test-suite/ph_multipole/ph.in\nq-e-qe-7.6/test-suite/ph_multipole/scf.in\nq-e-qe-7.6/test-suite/ph_raman/\nq-e-qe-7.6/test-suite/ph_raman/benchmark.out.git.inp=h2o.dynmat.in.args=9\nq-e-qe-7.6/test-suite/ph_raman/benchmark.out.git.inp=h2o.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_raman/benchmark.out.git.inp=h2o.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_raman/h2o.dynmat.in\nq-e-qe-7.6/test-suite/ph_raman/h2o.ph.in\nq-e-qe-7.6/test-suite/ph_raman/h2o.scf.in\nq-e-qe-7.6/test-suite/ph_restart/\nq-e-qe-7.6/test-suite/ph_restart/SiC.phG.restart1.in\nq-e-qe-7.6/test-suite/ph_restart/SiC.phG.restart2.in\nq-e-qe-7.6/test-suite/ph_restart/SiC.phG.restart3.in\nq-e-qe-7.6/test-suite/ph_restart/SiC.phG.restart4.in\nq-e-qe-7.6/test-suite/ph_restart/SiC.scf.in\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart1.in.args=2\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart2.in.args=10\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart3.in.args=10\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart4.in.args=10\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_twochem/\nq-e-qe-7.6/test-suite/ph_twochem/benchmark.out.git.inp=phG2.in.args=11\nq-e-qe-7.6/test-suite/ph_twochem/benchmark.out.git.inp=phG_twochem.in.args=11\nq-e-qe-7.6/test-suite/ph_twochem/benchmark.out.git.inp=scf2.in.args=1\nq-e-qe-7.6/test-suite/ph_twochem/benchmark.out.git.inp=scf_twochem.in.args=1\nq-e-qe-7.6/test-suite/ph_twochem/phG2.in\nq-e-qe-7.6/test-suite/ph_twochem/phG_twochem.in\nq-e-qe-7.6/test-suite/ph_twochem/scf2.in\nq-e-qe-7.6/test-suite/ph_twochem/scf_twochem.in\nq-e-qe-7.6/test-suite/pioud_diamond/\nq-e-qe-7.6/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_ceriotti.in\nq-e-qe-7.6/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_pimd.in\nq-e-qe-7.6/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_verlet.in\nq-e-qe-7.6/test-suite/pioud_diamond/diamond_ceriotti.in\nq-e-qe-7.6/test-suite/pioud_diamond/diamond_pimd.in\nq-e-qe-7.6/test-suite/pioud_diamond/diamond_verlet.in\nq-e-qe-7.6/test-suite/pp_acf/\nq-e-qe-7.6/test-suite/pp_acf/benchmark.out.git.inp=ppacf_fock.in.args=2\nq-e-qe-7.6/test-suite/pp_acf/benchmark.out.git.inp=scf_vdw.in.args=1\nq-e-qe-7.6/test-suite/pp_acf/ppacf_fock.in\nq-e-qe-7.6/test-suite/pp_acf/scf_vdw.in\nq-e-qe-7.6/test-suite/pw_atom/\nq-e-qe-7.6/test-suite/pw_atom/atom-lsda.in\nq-e-qe-7.6/test-suite/pw_atom/atom-occ1.in\nq-e-qe-7.6/test-suite/pw_atom/atom-occ2.in\nq-e-qe-7.6/test-suite/pw_atom/atom-pbe.in\nq-e-qe-7.6/test-suite/pw_atom/atom-sigmapbe.in\nq-e-qe-7.6/test-suite/pw_atom/atom.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-lsda.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-occ1.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-occ2.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-pbe.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-sigmapbe.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom.in\nq-e-qe-7.6/test-suite/pw_b3lyp/\nq-e-qe-7.6/test-suite/pw_b3lyp/b3lyp-O.in\nq-e-qe-7.6/test-suite/pw_b3lyp/b3lyp-O_std.in\nq-e-qe-7.6/test-suite/pw_b3lyp/b3lyp-h2o.in\nq-e-qe-7.6/test-suite/pw_b3lyp/b3lyp-h2o_std.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-O.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-O_std.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-h2o.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-h2o_std.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=x3lyp-O.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=x3lyp-h2o.in\nq-e-qe-7.6/test-suite/pw_b3lyp/x3lyp-O.in\nq-e-qe-7.6/test-suite/pw_b3lyp/x3lyp-h2o.in\nq-e-qe-7.6/test-suite/pw_berry/\nq-e-qe-7.6/test-suite/pw_berry/benchmark.out.git.inp=berry-1.in\nq-e-qe-7.6/test-suite/pw_berry/benchmark.out.git.inp=berry-2.in\nq-e-qe-7.6/test-suite/pw_berry/benchmark.out.git.inp=berry.in\nq-e-qe-7.6/test-suite/pw_berry/berry-1.in\nq-e-qe-7.6/test-suite/pw_berry/berry-2.in\nq-e-qe-7.6/test-suite/pw_berry/berry.in\nq-e-qe-7.6/test-suite/pw_cluster/\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster1.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster2.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster3.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster4.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster5.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster6.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster1.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster2.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster3.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster4.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster5.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster6.in\nq-e-qe-7.6/test-suite/pw_dft/\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft1.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft10.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft11.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft2.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft3.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft4.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft5.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft6.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft7.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft8.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft9.in\nq-e-qe-7.6/test-suite/pw_dft/dft1.in\nq-e-qe-7.6/test-suite/pw_dft/dft10.in\nq-e-qe-7.6/test-suite/pw_dft/dft11.in\nq-e-qe-7.6/test-suite/pw_dft/dft2.in\nq-e-qe-7.6/test-suite/pw_dft/dft3.in\nq-e-qe-7.6/test-suite/pw_dft/dft4.in\nq-e-qe-7.6/test-suite/pw_dft/dft5.in\nq-e-qe-7.6/test-suite/pw_dft/dft6.in\nq-e-qe-7.6/test-suite/pw_dft/dft7.in\nq-e-qe-7.6/test-suite/pw_dft/dft8.in\nq-e-qe-7.6/test-suite/pw_dft/dft9.in\nq-e-qe-7.6/test-suite/pw_diag_direct/\nq-e-qe-7.6/test-suite/pw_diag_direct/benchmark.out.git.inp=scf-davidson.in\nq-e-qe-7.6/test-suite/pw_diag_direct/benchmark.out.git.inp=scf-direct.in\nq-e-qe-7.6/test-suite/pw_diag_direct/scf-davidson.in\nq-e-qe-7.6/test-suite/pw_diag_direct/scf-direct.in\nq-e-qe-7.6/test-suite/pw_dipole/\nq-e-qe-7.6/test-suite/pw_dipole/2dcutoff.in\nq-e-qe-7.6/test-suite/pw_dipole/benchmark.out.git.inp=2dcutoff.in\nq-e-qe-7.6/test-suite/pw_dipole/benchmark.out.git.inp=dipole.in\nq-e-qe-7.6/test-suite/pw_dipole/dipole.in\nq-e-qe-7.6/test-suite/pw_electric/\nq-e-qe-7.6/test-suite/pw_electric/benchmark.out.git.inp=electric-1.in\nq-e-qe-7.6/test-suite/pw_electric/benchmark.out.git.inp=electric-2.in\nq-e-qe-7.6/test-suite/pw_electric/benchmark.out.git.inp=electric.in\nq-e-qe-7.6/test-suite/pw_electric/electric-1.in\nq-e-qe-7.6/test-suite/pw_electric/electric-2.in\nq-e-qe-7.6/test-suite/pw_electric/electric.in\nq-e-qe-7.6/test-suite/pw_eval/\nq-e-qe-7.6/test-suite/pw_eval/benchmark.out.git.inp=eval_infix-2.in\nq-e-qe-7.6/test-suite/pw_eval/benchmark.out.git.inp=eval_infix.in\nq-e-qe-7.6/test-suite/pw_eval/eval_infix-2.in\nq-e-qe-7.6/test-suite/pw_eval/eval_infix.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/\nq-e-qe-7.6/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si111.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si222.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si444.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/gau-pbe-si111.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/gau-pbe-si222.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/gau-pbe-si444.in\nq-e-qe-7.6/test-suite/pw_hse/\nq-e-qe-7.6/test-suite/pw_hse/benchmark.out.git.inp=hse-si111.in\nq-e-qe-7.6/test-suite/pw_hse/benchmark.out.git.inp=hse-si222.in\nq-e-qe-7.6/test-suite/pw_hse/benchmark.out.git.inp=hse-si444.in\nq-e-qe-7.6/test-suite/pw_hse/benchmark.out.git.inp=hse-si444_std.in\nq-e-qe-7.6/test-suite/pw_hse/hse-si111.in\nq-e-qe-7.6/test-suite/pw_hse/hse-si222.in\nq-e-qe-7.6/test-suite/pw_hse/hse-si444.in\nq-e-qe-7.6/test-suite/pw_hse/hse-si444_std.in\nq-e-qe-7.6/test-suite/pw_irrbz/\nq-e-qe-7.6/test-suite/pw_irrbz/benchmark.out.git.inp=scf.in\nq-e-qe-7.6/test-suite/pw_irrbz/scf.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-12-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-12.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-3-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-3.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-5-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-5.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters+a.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters+celldm.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters-ang.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav1-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav1.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav10-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav10.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav11-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav11.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav12-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav12.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav13-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav13.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav14-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav14.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav2-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav2.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav3-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav3.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav4-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav4.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav5-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav5.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav6-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav6.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav7-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav7.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav8-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav8.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav9-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav9.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-wyckoff-sio2.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-12-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-12.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-3-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-3.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-5-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-5.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters+a.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters+celldm.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters-ang.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav1-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav1.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav10-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav10.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav11-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav11.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav12-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav12.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav13-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav13.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav14-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav14.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav2-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav2.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav3-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav3.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav4-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav4.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav5-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav5.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav6-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav6.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav7-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav7.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav8-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav8.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav9-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav9.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-wyckoff-sio2.in\nq-e-qe-7.6/test-suite/pw_lda+U/\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+J0.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V-user_ns.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_background.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_force_stress_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_noncol_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U-noU.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U-user_ns.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_background_one_channel.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_background_two_channels.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_force.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_force_stress_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_gamma.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_kind1_collin.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_kind1_noncollin.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_noncol_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_orbital_resolved.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_pseudo.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+J0.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+V-user_ns.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+V_background.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+V_force_stress_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+V_noncol_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U-noU.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U-noU.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U-user_ns.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U-user_ns.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_background_one_channel.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_background_two_channels.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_force.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_force.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_force_stress_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_gamma.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_gamma.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_kind1_collin.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_kind1_noncollin.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_noncol_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_orbital_resolved.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_orbital_resolved.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_pseudo.in\nq-e-qe-7.6/test-suite/pw_libxc/\nq-e-qe-7.6/test-suite/pw_libxc/benchmark.out.git.inp=gga_unpol_atom-pbe.in\nq-e-qe-7.6/test-suite/pw_libxc/benchmark.out.git.inp=hyb_gga_unpol_hse-si111.in\nq-e-qe-7.6/test-suite/pw_libxc/benchmark.out.git.inp=lda_pol_atom-lsda.in\nq-e-qe-7.6/test-suite/pw_libxc/benchmark.out.git.inp=mgga_unpol_metaGGA.in\nq-e-qe-7.6/test-suite/pw_libxc/gga_unpol_atom-pbe.in\nq-e-qe-7.6/test-suite/pw_libxc/hyb_gga_unpol_hse-si111.in\nq-e-qe-7.6/test-suite/pw_libxc/lda_pol_atom-lsda.in\nq-e-qe-7.6/test-suite/pw_libxc/mgga_unpol_metaGGA.in\nq-e-qe-7.6/test-suite/pw_lsda/\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-2.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-cg.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-nelup+neldw.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-tot_magnetization.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-2.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-cg.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-nelup+neldw.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-tot_magnetization.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda.in\nq-e-qe-7.6/test-suite/pw_md/\nq-e-qe-7.6/test-suite/pw_md/CMakeLists.txt\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap1.in\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap1.in.args=1\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap2.in\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap2.in.args=2\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-wfc_extrap1.in.args=1\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-wfc_extrap2.in.args=2\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md.in.args=1\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md_restart_verlet.in.args=22\nq-e-qe-7.6/test-suite/pw_md/md-pot_extrap1.in\nq-e-qe-7.6/test-suite/pw_md/md-pot_extrap2.in\nq-e-qe-7.6/test-suite/pw_md/md-wfc_extrap1.in\nq-e-qe-7.6/test-suite/pw_md/md-wfc_extrap2.in\nq-e-qe-7.6/test-suite/pw_md/md.in\nq-e-qe-7.6/test-suite/pw_md/md_restart_verlet.in\nq-e-qe-7.6/test-suite/pw_md/md_restart_verlet_original.md\nq-e-qe-7.6/test-suite/pw_metaGGA/\nq-e-qe-7.6/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-1.in\nq-e-qe-7.6/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-2.in\nq-e-qe-7.6/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-spin.in\nq-e-qe-7.6/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA.in\nq-e-qe-7.6/test-suite/pw_metaGGA/metaGGA-1.in\nq-e-qe-7.6/test-suite/pw_metaGGA/metaGGA-2.in\nq-e-qe-7.6/test-suite/pw_metaGGA/metaGGA-spin.in\nq-e-qe-7.6/test-suite/pw_metaGGA/metaGGA.in\nq-e-qe-7.6/test-suite/pw_metal/\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-2.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-fermi_dirac.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-gaussian.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra-1.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra-2.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal.in\nq-e-qe-7.6/test-suite/pw_metal/metal-2.in\nq-e-qe-7.6/test-suite/pw_metal/metal-fermi_dirac.in\nq-e-qe-7.6/test-suite/pw_metal/metal-gaussian.in\nq-e-qe-7.6/test-suite/pw_metal/metal-tetrahedra-1.in\nq-e-qe-7.6/test-suite/pw_metal/metal-tetrahedra-2.in\nq-e-qe-7.6/test-suite/pw_metal/metal-tetrahedra.in\nq-e-qe-7.6/test-suite/pw_metal/metal.in\nq-e-qe-7.6/test-suite/pw_noncolin/\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-1.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-2.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-cg.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_angle.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_atomic.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_total.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-hyb.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-hyb_std.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-pbe.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-rmm.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-1.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-2.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-cg.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-constrain_angle.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-constrain_atomic.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-constrain_total.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-hyb.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-hyb_std.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-pbe.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-rmm.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin.in\nq-e-qe-7.6/test-suite/pw_pawatom/\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_l=2.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_lda.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_spin.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_spin_lda.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_tqr.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-bfgs.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-vcbfgs.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_l=2.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_lda.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_spin.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_spin_lda.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_tqr.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-bfgs.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-vcbfgs.in\nq-e-qe-7.6/test-suite/pw_pbe/\nq-e-qe-7.6/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si111.in\nq-e-qe-7.6/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si222.in\nq-e-qe-7.6/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si444.in\nq-e-qe-7.6/test-suite/pw_pbe/benchmark.out.git.inp=pbeq2d.in\nq-e-qe-7.6/test-suite/pw_pbe/pbe0-si111.in\nq-e-qe-7.6/test-suite/pw_pbe/pbe0-si222.in\nq-e-qe-7.6/test-suite/pw_pbe/pbe0-si444.in\nq-e-qe-7.6/test-suite/pw_pbe/pbeq2d.in\nq-e-qe-7.6/test-suite/pw_plugins/\nq-e-qe-7.6/test-suite/pw_plugins/benchmark.out.git.inp=plugin-pw2casino_1.in.args=48\nq-e-qe-7.6/test-suite/pw_plugins/benchmark.out.git.inp=plugin-pw2casino_2.in.args=48\nq-e-qe-7.6/test-suite/pw_plugins/plugin-pw2casino_1.in\nq-e-qe-7.6/test-suite/pw_plugins/plugin-pw2casino_2.in\nq-e-qe-7.6/test-suite/pw_realspace/\nq-e-qe-7.6/test-suite/pw_realspace/benchmark.out.git.inp=cluster_gs.in\nq-e-qe-7.6/test-suite/pw_realspace/benchmark.out.git.inp=cluster_gs50.in\nq-e-qe-7.6/test-suite/pw_realspace/benchmark.out.git.inp=cluster_rs.in\nq-e-qe-7.6/test-suite/pw_realspace/benchmark.out.git.inp=cluster_rs50.in\nq-e-qe-7.6/test-suite/pw_realspace/cluster_gs.in\nq-e-qe-7.6/test-suite/pw_realspace/cluster_gs50.in\nq-e-qe-7.6/test-suite/pw_realspace/cluster_rs.in\nq-e-qe-7.6/test-suite/pw_realspace/cluster_rs50.in\nq-e-qe-7.6/test-suite/pw_relax/\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax-damped.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax-el.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax-extfor.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax-fire.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax2-bfgs_ndim3.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax2.in\nq-e-qe-7.6/test-suite/pw_relax/relax-damped.in\nq-e-qe-7.6/test-suite/pw_relax/relax-el.in\nq-e-qe-7.6/test-suite/pw_relax/relax-extfor.in\nq-e-qe-7.6/test-suite/pw_relax/relax-fire.in\nq-e-qe-7.6/test-suite/pw_relax/relax.in\nq-e-qe-7.6/test-suite/pw_relax/relax2-bfgs_ndim3.in\nq-e-qe-7.6/test-suite/pw_relax/relax2.in\nq-e-qe-7.6/test-suite/pw_scf/\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-1.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-2.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-allfrac.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-cg-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-cg.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io-1.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io-2.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-gth.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-k0.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-kauto.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-kcrys.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_beta.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-ncpp.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-nofrac.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-occ.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-paro-k.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-k.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-paro-k.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf.in\nq-e-qe-7.6/test-suite/pw_scf/scf-1.in\nq-e-qe-7.6/test-suite/pw_scf/scf-2.in\nq-e-qe-7.6/test-suite/pw_scf/scf-allfrac.in\nq-e-qe-7.6/test-suite/pw_scf/scf-cg-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-cg.in\nq-e-qe-7.6/test-suite/pw_scf/scf-disk_io-1.in\nq-e-qe-7.6/test-suite/pw_scf/scf-disk_io-2.in\nq-e-qe-7.6/test-suite/pw_scf/scf-disk_io.in\nq-e-qe-7.6/test-suite/pw_scf/scf-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-gth.in\nq-e-qe-7.6/test-suite/pw_scf/scf-k0.in\nq-e-qe-7.6/test-suite/pw_scf/scf-kauto.in\nq-e-qe-7.6/test-suite/pw_scf/scf-kcrys.in\nq-e-qe-7.6/test-suite/pw_scf/scf-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_scf/scf-mixing_beta.in\nq-e-qe-7.6/test-suite/pw_scf/scf-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_scf/scf-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_scf/scf-ncpp.in\nq-e-qe-7.6/test-suite/pw_scf/scf-nofrac.in\nq-e-qe-7.6/test-suite/pw_scf/scf-occ.in\nq-e-qe-7.6/test-suite/pw_scf/scf-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-paro-k.in\nq-e-qe-7.6/test-suite/pw_scf/scf-rmm-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-rmm-k.in\nq-e-qe-7.6/test-suite/pw_scf/scf-rmm-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-rmm-paro-k.in\nq-e-qe-7.6/test-suite/pw_scf/scf.in\nq-e-qe-7.6/test-suite/pw_spinorbit/\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-1.in\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-3.in\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-paw.in\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-pbe.in\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit-1.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit-3.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit-paw.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit-pbe.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit.in\nq-e-qe-7.6/test-suite/pw_twochem/\nq-e-qe-7.6/test-suite/pw_twochem/benchmark.out.git.inp=nscf_twochem.in.args=2\nq-e-qe-7.6/test-suite/pw_twochem/benchmark.out.git.inp=relax_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/benchmark.out.git.inp=scf_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/benchmark.out.git.inp=vc-relax_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/nscf_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/relax_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/scf_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/vc-relax_twochem.in\nq-e-qe-7.6/test-suite/pw_uspp/\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-2.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-cg-gamma.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-cg.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-g.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-g_std.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-k.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-k_std.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-paro-k.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-singlegrid.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp1-coulomb.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp1.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp2.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-2.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-cg-gamma.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-cg.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-hyb-g.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-hyb-g_std.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-hyb-k.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-hyb-k_std.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-paro-k.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-singlegrid.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp1-coulomb.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp1.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-md1.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-md2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax1.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax3.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax4.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax5.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax6.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-md1.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-md2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax1.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax3.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax4.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax5.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax6.in\nq-e-qe-7.6/test-suite/pw_vdw/\nq-e-qe-7.6/test-suite/pw_vdw/beef-spin.in\nq-e-qe-7.6/test-suite/pw_vdw/beef.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=beef-spin.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=beef.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=rVV10.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdW-DF3-opt1.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdW-DF3-opt2.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-d2.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-d3.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-mbd-vc-relax.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-mbd.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-ts.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=xdm.in\nq-e-qe-7.6/test-suite/pw_vdw/rVV10.in\nq-e-qe-7.6/test-suite/pw_vdw/vdW-DF3-opt1.in\nq-e-qe-7.6/test-suite/pw_vdw/vdW-DF3-opt2.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-d2.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-d3.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-mbd-vc-relax.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-mbd.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-ts.in\nq-e-qe-7.6/test-suite/pw_vdw/xdm.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-gamma-restart-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-gamma-restart-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-k-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-k-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-gamma-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-gamma-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-restart-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-restart-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-smearing-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-smearing-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/ncpp-gamma-restart-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/ncpp-gamma-restart-2.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/ncpp-k-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/ncpp-k-2.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-gamma-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-gamma-2.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-k-restart-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-k-restart-2.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-k-smearing-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-k-smearing-2.in\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/benchmark.out.git.inp=relax-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/benchmark.out.git.inp=relax-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/relax-1.in\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/relax-2.in\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/benchmark.out.git.inp=scf-dos-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/benchmark.out.git.inp=scf-dos-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/scf-dos-1.in\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/scf-dos-2.in\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/benchmark.out.git.inp=vc-relax-dos-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/benchmark.out.git.inp=vc-relax-dos-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/vc-relax-dos-1.in\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/vc-relax-dos-2.in\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/benchmark.out.git.inp=vc-relax-scf-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/benchmark.out.git.inp=vc-relax-scf-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-1.expected_exit_msg\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-1.in\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-2.in\nq-e-qe-7.6/test-suite/run-all_currents.sh\nq-e-qe-7.6/test-suite/run-cp.sh\nq-e-qe-7.6/test-suite/run-epw.sh\nq-e-qe-7.6/test-suite/run-hp.sh\nq-e-qe-7.6/test-suite/run-image.sh\nq-e-qe-7.6/test-suite/run-kcw.sh\nq-e-qe-7.6/test-suite/run-oscdft.sh\nq-e-qe-7.6/test-suite/run-ph.sh\nq-e-qe-7.6/test-suite/run-pioud.sh\nq-e-qe-7.6/test-suite/run-pp.sh\nq-e-qe-7.6/test-suite/run-pw.sh\nq-e-qe-7.6/test-suite/run-tddfpt.sh\nq-e-qe-7.6/test-suite/run-zg.sh\nq-e-qe-7.6/test-suite/tddfpt_CH4/\nq-e-qe-7.6/test-suite/tddfpt_CH4/CH4.pw.in\nq-e-qe-7.6/test-suite/tddfpt_CH4/CH4.td-lan.in\nq-e-qe-7.6/test-suite/tddfpt_CH4/CH4.td-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.td-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.td-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_eels-al/\nq-e-qe-7.6/test-suite/tddfpt_eels-al/Al.pw.in\nq-e-qe-7.6/test-suite/tddfpt_eels-al/Al.tddfpt-eels.in\nq-e-qe-7.6/test-suite/tddfpt_eels-al/Al_uspp.pw.in\nq-e-qe-7.6/test-suite/tddfpt_eels-al/Al_uspp.tddfpt-eels.in\nq-e-qe-7.6/test-suite/tddfpt_eels-al/benchmark.out.git.inp=Al.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_eels-al/benchmark.out.git.inp=Al.tddfpt-eels.in.args=5\nq-e-qe-7.6/test-suite/tddfpt_eels-al/benchmark.out.git.inp=Al_uspp.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_eels-al/benchmark.out.git.inp=Al_uspp.tddfpt-eels.in.args=5\nq-e-qe-7.6/test-suite/tddfpt_eels-si/\nq-e-qe-7.6/test-suite/tddfpt_eels-si/Si.pw.in\nq-e-qe-7.6/test-suite/tddfpt_eels-si/Si.tddfpt-eels.in\nq-e-qe-7.6/test-suite/tddfpt_eels-si/Si.tddfpt_pp_eels.in\nq-e-qe-7.6/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.tddfpt-eels.in.args=5\nq-e-qe-7.6/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.tddfpt_pp_eels.in.args=4\nq-e-qe-7.6/test-suite/tddfpt_hyb/\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetd-dav.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetd-lan.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetd-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetda-dav.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetda-lan.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetda-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetd-dav.in.args=8\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetd-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetd-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetda-dav.in.args=8\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetda-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetda-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=td-dav.in.args=8\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=td-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=td-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=tda-dav.in.args=8\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=tda-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=tda-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_hyb/pw.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/td-dav.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/td-lan.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/td-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/tda-dav.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/tda-lan.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/tda-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/Fe.pw.in\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/Fe.tddfpt-magnons.in\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/Fe.tddfpt_pp_magnons.in\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.tddfpt-magnons.in.args=6\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.tddfpt_pp_magnons.in.args=7\nq-e-qe-7.6/test-suite/testcode/\nq-e-qe-7.6/test-suite/testcode/LICENSE\nq-e-qe-7.6/test-suite/testcode/README.rst\nq-e-qe-7.6/test-suite/testcode/bin/\nq-e-qe-7.6/test-suite/testcode/bin/testcode.py\nq-e-qe-7.6/test-suite/testcode/docs/\nq-e-qe-7.6/test-suite/testcode/docs/.static/\nq-e-qe-7.6/test-suite/testcode/docs/.static/dummy_file\nq-e-qe-7.6/test-suite/testcode/docs/.templates/\nq-e-qe-7.6/test-suite/testcode/docs/.templates/dummy_file\nq-e-qe-7.6/test-suite/testcode/docs/Makefile\nq-e-qe-7.6/test-suite/testcode/docs/conf.py\nq-e-qe-7.6/test-suite/testcode/docs/configuration_files.rst\nq-e-qe-7.6/test-suite/testcode/docs/index.rst\nq-e-qe-7.6/test-suite/testcode/docs/installation.rst\nq-e-qe-7.6/test-suite/testcode/docs/jobconfig.rst\nq-e-qe-7.6/test-suite/testcode/docs/testcode.py.rst\nq-e-qe-7.6/test-suite/testcode/docs/userconfig.rst\nq-e-qe-7.6/test-suite/testcode/docs/verification.rst\nq-e-qe-7.6/test-suite/testcode/lib/\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/__init__.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/_functools_dummy.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/ansi.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/compatibility.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/config.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/dir_lock.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/exceptions.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/queues.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/util.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/validation.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/vcs.py\nq-e-qe-7.6/test-suite/userconfig.tmp\nq-e-qe-7.6/test-suite/validate_xsd_pw.py\nq-e-qe-7.6/test-suite/xsd_pw/\nq-e-qe-7.6/test-suite/xsd_pw/WaterP1_0_scf_0.in\nq-e-qe-7.6/test-suite/zg_conf/\nq-e-qe-7.6/test-suite/zg_conf/benchmark.out.git.inp=zg.in.args=0\nq-e-qe-7.6/test-suite/zg_conf/si.10_10_10.fc\nq-e-qe-7.6/test-suite/zg_conf/zg.in\nq-e-qe-7.6/upflib/\nq-e-qe-7.6/upflib/CMakeLists.txt\nq-e-qe-7.6/upflib/Makefile\nq-e-qe-7.6/upflib/README.md\nq-e-qe-7.6/upflib/TODO_upflib.md\nq-e-qe-7.6/upflib/atom.f90\nq-e-qe-7.6/upflib/atomic_number.f90\nq-e-qe-7.6/upflib/atwfc_mod.f90\nq-e-qe-7.6/upflib/beta_mod.f90\nq-e-qe-7.6/upflib/casino2upf.f90\nq-e-qe-7.6/upflib/casino_pp.f90\nq-e-qe-7.6/upflib/dom.f90\nq-e-qe-7.6/upflib/dqvan2.f90\nq-e-qe-7.6/upflib/dylmr2.f90\nq-e-qe-7.6/upflib/fixfiles.py\nq-e-qe-7.6/upflib/gen_us_dj.f90\nq-e-qe-7.6/upflib/gen_us_dy.f90\nq-e-qe-7.6/upflib/gth.f90\nq-e-qe-7.6/upflib/hgh2qe.f90\nq-e-qe-7.6/upflib/init_us_0.f90\nq-e-qe-7.6/upflib/init_us_1.f90\nq-e-qe-7.6/upflib/init_us_2_acc.f90\nq-e-qe-7.6/upflib/init_us_b0.f90\nq-e-qe-7.6/upflib/paw_variables.f90\nq-e-qe-7.6/upflib/pseudo_types.f90\nq-e-qe-7.6/upflib/qrad_mod.f90\nq-e-qe-7.6/upflib/qvan2.f90\nq-e-qe-7.6/upflib/radial_grids.f90\nq-e-qe-7.6/upflib/read_cpmd.f90\nq-e-qe-7.6/upflib/read_fhi.f90\nq-e-qe-7.6/upflib/read_ncpp.f90\nq-e-qe-7.6/upflib/read_ps.f90\nq-e-qe-7.6/upflib/read_psml.f90\nq-e-qe-7.6/upflib/read_upf_new.f90\nq-e-qe-7.6/upflib/read_upf_v1.f90\nq-e-qe-7.6/upflib/read_uspp.f90\nq-e-qe-7.6/upflib/rhoat_mod.f90\nq-e-qe-7.6/upflib/rhoc_mod.f90\nq-e-qe-7.6/upflib/simpsn.f90\nq-e-qe-7.6/upflib/sph_bes.f90\nq-e-qe-7.6/upflib/sph_ind.f90\nq-e-qe-7.6/upflib/spinor.f90\nq-e-qe-7.6/upflib/splinelib.f90\nq-e-qe-7.6/upflib/upf_auxtools.f90\nq-e-qe-7.6/upflib/upf_const.f90\nq-e-qe-7.6/upflib/upf_error.f90\nq-e-qe-7.6/upflib/upf_invmat.f90\nq-e-qe-7.6/upflib/upf_io.f90\nq-e-qe-7.6/upflib/upf_ions.f90\nq-e-qe-7.6/upflib/upf_kinds.f90\nq-e-qe-7.6/upflib/upf_kinds.h\nq-e-qe-7.6/upflib/upf_parallel_include.f90\nq-e-qe-7.6/upflib/upf_params.f90\nq-e-qe-7.6/upflib/upf_spinorb.f90\nq-e-qe-7.6/upflib/upf_to_internal.f90\nq-e-qe-7.6/upflib/upf_utils.f90\nq-e-qe-7.6/upflib/upfconv.f90\nq-e-qe-7.6/upflib/uspp.f90\nq-e-qe-7.6/upflib/uspp_param.f90\nq-e-qe-7.6/upflib/virtual_v2.f90\nq-e-qe-7.6/upflib/vloc_mod.f90\nq-e-qe-7.6/upflib/write_upf_new.f90\nq-e-qe-7.6/upflib/wxml.f90\nq-e-qe-7.6/upflib/xmltools.f90\nq-e-qe-7.6/upflib/ylmr2.f90\nq-e-qe-7.6/upflib/ylmr2_gpu.f90\n/kaggle/working/q-e-qe-7.6\n","output_type":"stream"}],"execution_count":2},{"cell_type":"markdown","source":"Here, nvfortran is a requirement otherwise the code cannot work. Use cuda 12.3 or above (use versions which give direct tarball over the newer 13.0+ interactive installer as it does not work).","metadata":{}},{"cell_type":"code","source":"%cd /kaggle/working\n!wget https://developer.download.nvidia.com/hpc-sdk/24.11/nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\n!tar xpzf nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\n!rm -rf nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-10T07:06:27.438735Z","iopub.execute_input":"2026-08-10T07:06:27.439114Z","iopub.status.idle":"2026-08-10T07:15:58.056118Z","shell.execute_reply.started":"2026-08-10T07:06:27.439084Z","shell.execute_reply":"2026-08-10T07:15:58.054047Z"}},"outputs":[{"name":"stdout","text":"/kaggle/working\n--2026-08-10 07:06:27-- https://developer.download.nvidia.com/hpc-sdk/24.11/nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\nResolving developer.download.nvidia.com (developer.download.nvidia.com)... 23.59.88.238, 23.59.88.228, 23.59.88.236, ...\nConnecting to developer.download.nvidia.com (developer.download.nvidia.com)|23.59.88.238|:443... connected.\nHTTP request sent, awaiting response... 200 OK\nLength: 6131381079 (5.7G) [application/x-tar]\nSaving to: ‘nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz’\n\nnvhpc_2024_2411_Lin 100%[===================>] 5.71G 14.8MB/s in 7m 29s \n\n2026-08-10 07:13:57 (13.0 MB/s) - ‘nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz’ saved [6131381079/6131381079]\n\n","output_type":"stream"}],"execution_count":3},{"cell_type":"markdown","source":"## 3. Setting environment for running ","metadata":{}},{"cell_type":"markdown","source":"This part is extremely crucial, **do not** skip. Without this step, the whole process is not applicable.","metadata":{}},{"cell_type":"code","source":"import os\n\nbase = \"/kaggle/working/nvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11\" # Change path to current path where the nvhpc folder is\n\nos.environ[\"PATH\"] = base + \"/compilers/bin:\" + os.environ[\"PATH\"]\nos.environ[\"LD_LIBRARY_PATH\"] = base + \"/compilers/lib:\" + os.environ.get(\"LD_LIBRARY_PATH\", \"\")\nprint(\"Environment set.\")\n!nvfortran --version\nprint(\" \")\nprint(\"Check for error\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-10T07:15:58.058578Z","iopub.execute_input":"2026-08-10T07:15:58.058896Z","iopub.status.idle":"2026-08-10T07:16:00.163431Z","shell.execute_reply.started":"2026-08-10T07:15:58.058865Z","shell.execute_reply":"2026-08-10T07:16:00.162374Z"}},"outputs":[{"name":"stdout","text":"Environment set.\n\nnvfortran 24.11-0 64-bit target on Linux -tp skylake-avx512 \nNVIDIA Compilers and Tools\nCopyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.\n\nnvfortran 24.11-0 64-bit target on x86-64 Linux -tp skylake-avx512 \nNVIDIA Compilers and Tools\nCopyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.\n \nCheck for error\n","output_type":"stream"}],"execution_count":4},{"cell_type":"markdown","source":"## 4. Set config ","metadata":{}},{"cell_type":"markdown","source":"Ensure to not tinker with the config unless **absolutely needed**. **Do not modify.**","metadata":{}},{"cell_type":"code","source":"%cd /kaggle/working/q-e-qe-7.6 \n# Change path as per need\n!export LIBXC_LIBS=\"-L/usr/lib/x86_64-linux-gnu -lxc -lxcf03\"\n!export LIBXC_CFLAGS=\"-I/usr/include\"\n!./configure \\\n FC=nvfortran \\\n F90=nvfortran \\\n F77=nvfortran \\\n MPIF90=nvfortran \\\n CC=nvc \\\n CXX=nvc++ \\\n LD=nvfortran \\\n --with-cuda=yes \\\n --with-cuda-runtime=12.6 \\\n --with-cuda-cc=60 \\\n --with-scalapack=no","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-10T07:16:00.165199Z","iopub.execute_input":"2026-08-10T07:16:00.165635Z","iopub.status.idle":"2026-08-10T07:16:10.329941Z","shell.execute_reply.started":"2026-08-10T07:16:00.165603Z","shell.execute_reply":"2026-08-10T07:16:10.329240Z"}},"outputs":[{"name":"stdout","text":"/kaggle/working/q-e-qe-7.6\nin-source build\nchecking build system type... x86_64-pc-linux-gnu\nchecking ARCH... x86_64\nchecking setting AR... ... ar\nchecking setting ARFLAGS... ... ruv\nconfigure: WARNING: --with-cuda is obsolete, use --with-gpu=cuda instead\nchecking whether the Fortran compiler works... yes\nchecking for Fortran compiler default output file name... a.out\nchecking for suffix of executables... \nchecking whether we are cross compiling... no\nchecking for suffix of object files... o\nchecking whether we are using the GNU Fortran compiler... no\nchecking whether nvfortran accepts -g... yes\nchecking for Fortran flag to compile .f90 files... none\nchecking for nvfortran... nvfortran\nchecking whether we are using the GNU Fortran compiler... no\nchecking whether nvfortran accepts -g... yes\nchecking version of nvfortran... nvfortran 24.11-0\nconfigure: WARNING: Check whether user-supplied F90 is consistent with MPIF90 !!! \nsetting F90... nvfortran\nsetting MPIF90... nvfortran\nchecking whether we are using the GNU C compiler... yes\nchecking whether nvc accepts -g... yes\nchecking for nvc option to accept ISO C89... none needed\nsetting CC... nvc\nsetting CFLAGS... -O3\nusing F90... nvfortran\nsetting FFLAGS... -fast\nsetting F90FLAGS... -fast -Mcache_align -Mpreprocess -Mlarge_arrays\nsetting FFLAGS_NOOPT... -O0\nsetting FFLAGS_NOMAIN... -Mnomain\nsetting CPP... cpp\nsetting CPPFLAGS... -P -traditional -Uvector\nsetting LD... nvfortran\nsetting LDFLAGS...\nchecking whether Fortran compiler accepts -cuda -gpu=cuda12.6... yes\nchecking whether make sets $(MAKE)... yes\nchecking whether Fortran files must be preprocessed... no\nchecking for library containing dgemm... -lmkl_intel_lp64\nsetting BLAS_LIBS... -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nchecking FFT... \nchecking MASS... \nchecking for library containing mpi_init... no\nchecking ELPA... \nchecking for Environ... not used\nchecking if legacy plugins are enabled ... no\nchecking for ranlib... ranlib\nchecking for wget... wget -O\nsetting WGET... wget -O\nchecking for git... git\nsetting DFLAGS... -D__PGI -D__CUDA -D__DFTI\nsetting IFLAGS... -I. -I$(TOPDIR)/include -I/opt/intel/mkl/include\nconfigure: creating ./config.status\nconfig.status: creating install/make_lapack.inc\nconfig.status: creating make.inc\nconfig.status: creating configure.msg\nconfig.status: creating install/make_wannier90.inc\n/kaggle/working/q-e-qe-7.6/install/makedeps.sh: no arguments, compute all dependencies\ndirectory KCW/PP : okk ok okk okI : ok\nall dependencies updated successfully\n--------------------------------------------------------------------\nESPRESSO can take advantage of several optimized numerical libraries\n(essl, fftw, mkl...). This configure script attempts to find them,\nbut may fail if they have been installed in non-standard locations.\nIf a required library is not found, the local copy will be compiled.\n\nThe following libraries have been found:\n BLAS_LIBS= -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\n LAPACK_LIBS=\n FFT_LIBS=\n \n \n\nPlease check if this is what you expect.\n\nIf any libraries are missing, you may specify a list of directories\nto search and retry, as follows:\n ./configure LIBDIRS=\"list of directories, separated by spaces\"\n\nParallel environment not detected \\(is this a parallel machine?\\).\\\nConfigured for compilation of serial executables.\n\nFor more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).\n--------------------------------------------------------------------\nconfigure: success\n","output_type":"stream"}],"execution_count":5},{"cell_type":"markdown","source":"If final output shows configure: success, continue. Otherwise, search for documentation or use AI to help troubleshoot.","metadata":{}},{"cell_type":"code","source":"from pathlib import Path\nimport re\n\npath = Path(\"/kaggle/working/q-e-qe-7.6/make.inc\")\ntext = path.read_text()\n\nnew_lines = []\nfor line in text.splitlines():\n if line.strip().startswith(\"DFLAGS\"):\n line = re.sub(r\"-D__DFTI\\b\", \"\", line)\n line = re.sub(r\"-D__FFTW3\\b\", \"\", line)\n line = re.sub(r\"-D__FFTW\\b\", \"\", line)\n line = line.rstrip() + \" -D__FFTW\"\n new_lines.append(line)\n\npath.write_text(\"\\n\".join(new_lines) + \"\\n\")\n\nprint(\"Updated DFLAGS:\")\nfor line in new_lines:\n if line.strip().startswith(\"DFLAGS\"):\n print(line)","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-10T07:16:10.331124Z","iopub.execute_input":"2026-08-10T07:16:10.331448Z","iopub.status.idle":"2026-08-10T07:16:10.340062Z","shell.execute_reply.started":"2026-08-10T07:16:10.331416Z","shell.execute_reply":"2026-08-10T07:16:10.339426Z"}},"outputs":[{"name":"stdout","text":"Updated DFLAGS:\nDFLAGS = -D__PGI -D__CUDA -D__FFTW\n","output_type":"stream"}],"execution_count":6},{"cell_type":"markdown","source":"## 5. Compile and Run","metadata":{}},{"cell_type":"markdown","source":"The below code may take a few minutes to run. **Do not** interrupt execution. In case of errors saying certain parts are not there/broken, remove the comment on the cell below the given one. Then run the below cell and re-comment.","metadata":{}},{"cell_type":"code","source":"!cd /kaggle/working/q-e-qe-7.6/bin\n!make pw -j4 2>&1\n!make ph -j4 2>&1\n!make pp -j4 2>&1","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-10T07:16:10.341108Z","iopub.execute_input":"2026-08-10T07:16:10.341974Z","iopub.status.idle":"2026-08-10T07:24:32.552887Z","shell.execute_reply.started":"2026-08-10T07:16:10.341939Z","shell.execute_reply":"2026-08-10T07:24:32.551752Z"}},"outputs":[{"name":"stdout","text":"/bin/bash: line 1: cd: /kaggle/working/q-e-qe-7.6/bin: No such file or directory\ntest -d bin || mkdir bin\n( cd UtilXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libdevx || exit 1 )\n( cd FFTXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libmbd || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c parallel_include.f90 -o parallel_include.o\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\n( cd src ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_param.f90 -o fft_param.o\ninitializing external/mbd submodule ...\ninitializing external/devxlib submodule ...\n\u001b[33mhint: Using 'master' as the name for the initial branch. This default branch name\u001b[m\n\u001b[33mhint: Using 'master' as the name for the initial branch. This default branch name\u001b[m\n\u001b[33mhint: is subject to change. To configure the initial branch name to use in all\u001b[m\n\u001b[33mhint: is subject to change. To configure the initial branch name to use in all\u001b[m\n\u001b[33mhint: of your new repositories, which will suppress this warning, call:\u001b[m\n\u001b[33mhint: of your new repositories, which will suppress this warning, call:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit config --global init.defaultBranch \u001b[m\n\u001b[33mhint: \tgit config --global init.defaultBranch \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: Names commonly chosen instead of 'master' are 'main', 'trunk' and\u001b[m\n\u001b[33mhint: Names commonly chosen instead of 'master' are 'main', 'trunk' and\u001b[m\n\u001b[33mhint: 'development'. The just-created branch can be renamed via this command:\u001b[m\n\u001b[33mhint: 'development'. The just-created branch can be renamed via this command:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit branch -m \u001b[m\n\u001b[33mhint: \tgit branch -m \u001b[m\nInitialized empty Git repository in /kaggle/working/q-e-qe-7.6/external/devxlib/.git/\nInitialized empty Git repository in /kaggle/working/q-e-qe-7.6/external/mbd/.git/\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fftw_interfaces.f90 -o fftw_interfaces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c nvtx_wrapper.f90 -o nvtx_wrapper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.FFTW3.f90 -o fft_scalar.FFTW3.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.FFTW3.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.SX6.f90 -o fft_scalar.SX6.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.SX6.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.cuFFT.f90 -o fft_scalar.cuFFT.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c cptimer.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c copy.c\nremote: Enumerating objects: 84, done.\u001b[K\nremote: Counting objects: 100% (84/84), done.\u001b[K\nremote: Compressing objects: 100% (82/82), done.\u001b[K\nremote: Total 84 (delta 3), reused 19 (delta 0), pack-reused 0 (from 0)\u001b[K\nUnpacking objects: 100% (84/84), 112.48 KiB | 2.68 MiB/s, done.\nFrom https://github.com/libmbd/libmbd\n * branch 89a3cc199c0a200c9f0f688c3229ef6b9a8d63bd -> FETCH_HEAD\nSwitched to a new branch 'recorded_HEAD'\ntouch git_mbd\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c c_mkdir.c\nif test ! -f /kaggle/working/q-e-qe-7.6/MBD/make_mbd; then \\\n mkdir /kaggle/working/q-e-qe-7.6/MBD; \\\n cd /kaggle/working/q-e-qe-7.6/external/mbd/src; \\\n export FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include \"; \\\n (make -f ../../mbd.make && touch /kaggle/working/q-e-qe-7.6/MBD/make_mbd); \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/MBD; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/external/mbd/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_constants.f90\nsed -e 's/@PROJECT_VERSION_MAJOR@/0/' mbd_version.f90.in > mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_MINOR@/13/' mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_PATCH@/0/' mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_SUFFIX@/0/' mbd_version.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_gradients.f90\nremote: Enumerating objects: 117, done.\u001b[K\nremote: Counting objects: 100% (117/117), done.\u001b[K\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c device_helper.f90 -o device_helper.o\nremote: Compressing objects: 100% (104/104), done.\u001b[K\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_defaults.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_linalg.F90\nremote: Total 117 (delta 16), reused 68 (delta 8), pack-reused 0 (from 0)\u001b[K\nReceiving objects: 100% (117/117), 5.07 MiB | 16.59 MiB/s, done.\nResolving deltas: 100% (16/16), done.\nFrom https://gitlab.com/max-centre/components/devicexlib\n * branch a6b89ef77b1ceda48e967921f1f5488d2df9226d -> FETCH_HEAD\nSwitched to a new branch 'recorded_HEAD'\ntouch git_devx\nif test ! -f /kaggle/working/q-e-qe-7.6/devxlib/make_devx; then \\\nmkdir -p /kaggle/working/q-e-qe-7.6/devxlib/src ; \\\ncd /kaggle/working/q-e-qe-7.6/external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.6/make.inc ../; \\\n( make all && touch /kaggle/working/q-e-qe-7.6/devxlib/make_devx ) ; \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/devxlib/src/ ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/external/devxlib/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_auxfunc_mod.f90 -o device_auxfunc_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_auxfunc_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_version.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_smallbox.f90 -o fft_smallbox.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_fbuff.f90 -o device_fbuff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_utils.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw_sp.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_damping.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_formulas.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_lapack.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_vdw_param.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_matrix.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_geom.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_dipole.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_memcpy_mod.f90 -o device_memcpy_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_memcpy_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_memcpy.f90 -o device_memcpy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_ts.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c eval_infix.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_coulomb.f90\n\u001b[01m\u001b[0m\u001b[01m\"eval_infix.c\", line 431\u001b[0m: \u001b[01;35mwarning\u001b[0m: statement is unreachable [code_is_unreachable]\n return EOL;\n ^\n\n\u001b[01;36m\u001b[0m\u001b[01;36mRemark\u001b[0m: individual warnings can be suppressed with \"--diag_suppress \"\n\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c find_free_unit.f90 -o find_free_unit.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fletcher32.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c md5.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c md5_from_file.c\n\u001b[01m\u001b[0m\u001b[01m\"md5_from_file.c\", line 79\u001b[0m: \u001b[01;35mwarning\u001b[0m: parameter \u001b[01m\"err\"\u001b[0m was set but never used [set_but_not_used]\n void get_md5(const char *file, char *md5, int err)\n ^\n\n\u001b[01;36m\u001b[0m\u001b[01;36mRemark\u001b[0m: individual warnings can be suppressed with \"--diag_suppress \"\n\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c memstat.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c memusage.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mem_counter.f90 -o mem_counter.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c ptrace.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c util_param.f90 -o util_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c clib_wrappers.f90 -o clib_wrappers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_density.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c clocks_handler.f90 -o clocks_handler.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_hamiltonian.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mp.f90 -o mp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_rpa.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_scs.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_methods.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw_dp.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd.F90\nar -r libmbd.a mbd.o mbd_constants.o mbd_coulomb.o mbd_damping.o mbd_defaults.o mbd_density.o mbd_dipole.o mbd_formulas.o mbd_geom.o mbd_gradients.o mbd_hamiltonian.o mbd_lapack.o mbd_linalg.o mbd_matrix.o mbd_methods.o mbd_rpa.o mbd_scs.o mbd_ts.o mbd_utils.o mbd_version.o mbd_vdw_param.o\nar: creating libmbd.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/external/mbd/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_auxfunc.f90 -o device_auxfunc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c data_buffer.f90 -o data_buffer.o\n( cd XClib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/XClib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xclib_utils_and_para.f90 -o xclib_utils_and_para.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_kind.f90 -o qe_kind.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c pbecor.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c error_handler.f90 -o error_handler.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c beefun.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mp_bands_util.f90 -o mp_bands_util.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c fletcher32_mod.f90 -o fletcher32_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mp_base.f90 -o mp_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xclib_error.f90 -o xclib_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_constants.f90 -o qe_constants.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c dft_setting_params.f90 -o dft_setting_params.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_corr_lda_lsda.f90 -o qe_funct_corr_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mp_base_gpu.f90 -o mp_base_gpu.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c timer.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c timer_mod.f90 -o timer_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_fbuff_mod.f90 -o device_fbuff_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_fbuff_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c deviceXlib_mod.f90 -o deviceXlib_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (deviceXlib_mod.f90: 13)\nar ruv libdevXlib.a deviceXlib_mod.o device_memcpy.o device_memcpy_mod.o device_auxfunc.o device_auxfunc_mod.o device_fbuff.o device_fbuff_mod.o timer.o timer_mod.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdevXlib.a\na - deviceXlib_mod.o\na - device_memcpy.o\na - device_memcpy_mod.o\na - device_auxfunc.o\na - device_auxfunc_mod.o\na - device_fbuff.o\na - device_fbuff_mod.o\na - timer.o\na - timer_mod.o\nranlib libdevXlib.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/external/devxlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_error.f90 -o fft_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_exch_lda_lsda.f90 -o qe_funct_exch_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c print_mem.f90 -o print_mem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_exch_gga.f90 -o qe_funct_exch_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_beef_interface.f90 -o xc_beef_interface.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c set_mpi_comm_4_solvers.f90 -o set_mpi_comm_4_solvers.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fft_stick.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_lda_lsda.f90 -o qe_drivers_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c thread_util.f90 -o thread_util.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c divide.f90 -o divide.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_support.f90 -o fft_support.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_dft_list.f90 -o qe_dft_list.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c export_gstart_2_solvers.f90 -o export_gstart_2_solvers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c stick_base.f90 -o stick_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.DFTI.f90 -o fft_scalar.DFTI.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_corr_gga.f90 -o qe_funct_corr_gga.o\nar ruv libutil.a clib_wrappers.o clocks_handler.o cptimer.o copy.o c_mkdir.o device_helper.o divide.o data_buffer.o eval_infix.o error_handler.o export_gstart_2_solvers.o find_free_unit.o fletcher32_mod.o fletcher32.o md5.o md5_from_file.o memstat.o memusage.o mem_counter.o mp.o mp_base.o mp_base_gpu.o mp_bands_util.o parallel_include.o print_mem.o ptrace.o set_mpi_comm_4_solvers.o util_param.o thread_util.o nvtx_wrapper.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libutil.a\na - clib_wrappers.o\na - clocks_handler.o\na - cptimer.o\na - copy.o\na - c_mkdir.o\na - device_helper.o\na - divide.o\na - data_buffer.o\na - eval_infix.o\na - error_handler.o\na - export_gstart_2_solvers.o\na - find_free_unit.o\na - fletcher32_mod.o\na - fletcher32.o\na - md5.o\na - md5_from_file.o\na - memstat.o\na - memusage.o\na - mem_counter.o\na - mp.o\na - mp_base.o\na - mp_base_gpu.o\na - mp_bands_util.o\na - parallel_include.o\na - print_mem.o\na - ptrace.o\na - set_mpi_comm_4_solvers.o\na - util_param.o\na - thread_util.o\na - nvtx_wrapper.o\nranlib libutil.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\n( cd LAXlib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/LAXlib'\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib.h -o laxlib.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_hi.h -o laxlib_hi.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_kinds.h -o laxlib_kinds.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_low.h -o laxlib_low.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_mid.h -o laxlib_mid.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_param.h -o laxlib_param.fh\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_types.f90 -o la_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_param.f90 -o la_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_module.f90 -o la_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.ESSL.f90 -o fft_scalar.ESSL.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.ESSL.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_d_lda_lsda.f90 -o qe_drivers_d_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.FFTW.f90 -o fft_scalar.FFTW.o\n( cd upflib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/upflib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_kinds.f90 -o upf_kinds.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_types.f90 -o fft_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_io.f90 -o upf_io.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_params.f90 -o upf_params.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_utils.f90 -o upf_utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c dspev_drv.f90 -o dspev_drv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_invmat.f90 -o upf_invmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c paw_variables.f90 -o paw_variables.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atomic_number.f90 -o atomic_number.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dylmr2.f90 -o dylmr2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_lda_lsda.f90 -o xc_wrapper_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mp_diag.f90 -o mp_diag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c splinelib.f90 -o splinelib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c dft_setting_routines.f90 -o dft_setting_routines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c zhpev_drv.f90 -o zhpev_drv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c xmltools.f90 -o xmltools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_mgga.f90 -o qe_funct_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c rdiaghg.f90 -o rdiaghg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c spinor.f90 -o spinor.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c sph_ind.f90 -o sph_ind.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c simpsn.f90 -o simpsn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.f90 -o fft_scalar.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_parallel_include.f90 -o upf_parallel_include.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scatter.f90 -o fft_scatter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c ylmr2_gpu.f90 -o ylmr2_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c cdiagh.f90 -o cdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c rdiagh.f90 -o rdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c ptoolkit.f90 -o ptoolkit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_smallbox_type.f90 -o fft_smallbox_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dom.f90 -o dom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c tg_gather.f90 -o tg_gather.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c wxml.f90 -o wxml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_const.f90 -o upf_const.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_gga.f90 -o qe_drivers_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c pseudo_types.f90 -o pseudo_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c sph_bes.f90 -o sph_bes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_helper_subroutines.f90 -o fft_helper_subroutines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_auxtools.f90 -o upf_auxtools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_mgga.f90 -o qe_drivers_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_error.f90 -o upf_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c write_upf_new.f90 -o write_upf_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_d_lda_lsda.f90 -o xc_wrapper_d_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_gga.f90 -o xc_wrapper_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_mgga.f90 -o xc_wrapper_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c ylmr2.f90 -o ylmr2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c virtual_v2.f90 -o virtual_v2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_lib.f90 -o xc_lib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_d_gga.f90 -o qe_drivers_d_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c transto.f90 -o transto.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_d_gga.f90 -o xc_wrapper_d_gga.o\nar ruv xc_lib.a xclib_utils_and_para.o xclib_error.o qe_kind.o qe_constants.o dft_setting_params.o dft_setting_routines.o qe_dft_list.o qe_funct_corr_lda_lsda.o qe_funct_exch_lda_lsda.o qe_funct_corr_gga.o qe_funct_exch_gga.o qe_funct_mgga.o xc_beef_interface.o qe_drivers_lda_lsda.o qe_drivers_d_lda_lsda.o qe_drivers_gga.o qe_drivers_d_gga.o qe_drivers_mgga.o xc_wrapper_d_gga.o xc_wrapper_d_lda_lsda.o xc_wrapper_gga.o xc_wrapper_lda_lsda.o xc_wrapper_mgga.o xc_lib.o pbecor.o beefun.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating xc_lib.a\na - xclib_utils_and_para.o\na - xclib_error.o\na - qe_kind.o\na - qe_constants.o\na - dft_setting_params.o\na - dft_setting_routines.o\na - qe_dft_list.o\na - qe_funct_corr_lda_lsda.o\na - qe_funct_exch_lda_lsda.o\na - qe_funct_corr_gga.o\na - qe_funct_exch_gga.o\na - qe_funct_mgga.o\na - xc_beef_interface.o\na - qe_drivers_lda_lsda.o\na - qe_drivers_d_lda_lsda.o\na - qe_drivers_gga.o\na - qe_drivers_d_gga.o\na - qe_drivers_mgga.o\na - xc_wrapper_d_gga.o\na - xc_wrapper_d_lda_lsda.o\na - xc_wrapper_gga.o\na - xc_wrapper_lda_lsda.o\na - xc_wrapper_mgga.o\na - xc_lib.o\na - pbecor.o\na - beefun.o\nranlib xc_lib.a\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/XClib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c distools.f90 -o distools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c casino_pp.f90 -o casino_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_error.f90 -o la_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_helper.f90 -o la_helper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c scatter_mod.f90 -o scatter_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c cdiaghg.f90 -o cdiaghg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scatter_2d.f90 -o fft_scatter_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c radial_grids.f90 -o radial_grids.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_buffers.f90 -o fft_buffers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c uspp_param.f90 -o uspp_param.o\nar ruv libqela.a la_types.o la_error.o la_module.o la_helper.o cdiaghg.o rdiaghg.o cdiagh.o rdiagh.o dspev_drv.o ptoolkit.o transto.o distools.o zhpev_drv.o mp_diag.o la_param.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqela.a\na - la_types.o\na - la_error.o\na - la_module.o\na - la_helper.o\na - cdiaghg.o\na - rdiaghg.o\na - cdiagh.o\na - rdiagh.o\na - dspev_drv.o\na - ptoolkit.o\na - transto.o\na - distools.o\na - zhpev_drv.o\na - mp_diag.o\na - la_param.o\nranlib libqela.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/LAXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gth.f90 -o gth.o\n( cd KS_Solvers ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c david_rci.f90 -o david_rci.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scatter_2d_gpu.f90 -o fft_scatter_2d_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_ggen.f90 -o fft_ggen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_cpmd.f90 -o read_cpmd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_fhi.f90 -o read_fhi.o\nar ruv libdavid_rci.a david_rci.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdavid_rci.a\na - david_rci.o\nranlib libdavid_rci.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c cegterg.f90 -o cegterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_interfaces.f90 -o fft_interfaces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c regterg.f90 -o regterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scatter_gpu.f90 -o fft_scatter_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_ncpp.f90 -o read_ncpp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_parallel_2d.f90 -o fft_parallel_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_psml.f90 -o read_psml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_upf_new.f90 -o read_upf_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_interpolate.f90 -o fft_interpolate.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcegterg.f90 -o pcegterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_upf_v1.f90 -o read_upf_v1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_parallel.f90 -o fft_parallel.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pregterg.f90 -o pregterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_uspp.f90 -o read_uspp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_fwinv.f90 -o fft_fwinv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_ions.f90 -o upf_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_to_internal.f90 -o upf_to_internal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upfconv.f90 -o upfconv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c casino2upf.f90 -o casino2upf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atom.f90 -o atom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_spinorb.f90 -o upf_spinorb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_0.f90 -o init_us_0.o\nar ruv libdavid.a cegterg.o regterg.o pcegterg.o pregterg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdavid.a\na - cegterg.o\na - regterg.o\na - pcegterg.o\na - pregterg.o\nranlib libdavid.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c ccgdiagg.f90 -o ccgdiagg.o\nar ruv libqefft.a scatter_mod.o fft_scatter_2d.o fft_scatter_gpu.o fft_scatter_2d_gpu.o fft_ggen.o fft_fwinv.o fft_scalar.o fft_scalar.DFTI.o fft_scalar.ESSL.o fft_scalar.FFTW.o fft_scatter.o fft_scalar.cuFFT.o fftw_interfaces.o fft_scalar.FFTW3.o fft_scalar.SX6.o fft_parallel.o fft_parallel_2d.o fft_interfaces.o fft_interpolate.o stick_base.o fftw.o fftw_sp.o fftw_dp.o fft_smallbox.o fft_smallbox_type.o fft_support.o fft_error.o fft_stick.o fft_types.o tg_gather.o fft_helper_subroutines.o fft_param.o fft_buffers.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqefft.a\na - scatter_mod.o\na - fft_scatter_2d.o\na - fft_scatter_gpu.o\na - fft_scatter_2d_gpu.o\na - fft_ggen.o\na - fft_fwinv.o\na - fft_scalar.o\na - fft_scalar.DFTI.o\na - fft_scalar.ESSL.o\na - fft_scalar.FFTW.o\na - fft_scatter.o\na - fft_scalar.cuFFT.o\na - fftw_interfaces.o\na - fft_scalar.FFTW3.o\na - fft_scalar.SX6.o\na - fft_parallel.o\na - fft_parallel_2d.o\na - fft_interfaces.o\na - fft_interpolate.o\na - stick_base.o\na - fftw.o\na - fftw_sp.o\na - fftw_dp.o\na - fft_smallbox.o\na - fft_smallbox_type.o\na - fft_support.o\na - fft_error.o\na - fft_stick.o\na - fft_types.o\na - tg_gather.o\na - fft_helper_subroutines.o\na - fft_param.o\na - fft_buffers.o\nranlib libqefft.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c rcgdiagg.f90 -o rcgdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_b0.f90 -o init_us_b0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_ps.f90 -o read_ps.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atwfc_mod.f90 -o atwfc_mod.o\nar ruv libcg.a ccgdiagg.o rcgdiagg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libcg.a\na - ccgdiagg.o\na - rcgdiagg.o\nranlib libcg.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_gamma.f90 -o paro_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c beta_mod.f90 -o beta_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c qrad_mod.f90 -o qrad_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_gamma_new.f90 -o paro_gamma_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c rhoat_mod.f90 -o rhoat_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c rhoc_mod.f90 -o rhoc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_k.f90 -o paro_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_k_new.f90 -o paro_k_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c vloc_mod.f90 -o vloc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c uspp.f90 -o uspp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcg_gamma.f90 -o pcg_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcg_k.f90 -o pcg_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c qvan2.f90 -o qvan2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c bpcg_gamma.f90 -o bpcg_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dqvan2.f90 -o dqvan2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gen_us_dj.f90 -o gen_us_dj.o\nNVFORTRAN-W-0155-Constant or Parameter used in data clause - maxter (bpcg_gamma.f90: 304)\n 0 inform, 1 warnings, 0 severes, 0 fatal for bpcg_gamma\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c bpcg_k.f90 -o bpcg_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gen_us_dy.f90 -o gen_us_dy.o\nNVFORTRAN-W-0155-Constant or Parameter used in data clause - maxter (bpcg_k.f90: 300)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_1.f90 -o init_us_1.o\n 0 inform, 1 warnings, 0 severes, 0 fatal for bpcg_k\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_2_acc.f90 -o init_us_2_acc.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o virtual_v2.x virtual_v2.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o upfconv.x upfconv.o casino_pp.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o casino2upf.x casino2upf.o casino_pp.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nar ruv libparo.a paro_gamma.o paro_gamma_new.o paro_k.o paro_k_new.o pcg_gamma.o pcg_k.o bpcg_gamma.o bpcg_k.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libparo.a\na - paro_gamma.o\na - paro_gamma_new.o\na - paro_k.o\na - paro_k_new.o\na - pcg_gamma.o\na - pcg_k.o\na - bpcg_gamma.o\na - bpcg_k.o\nranlib libparo.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../PPCG -I ../../UtilXlib -I. -c crmmdiagg.f90 -o crmmdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../PPCG -I ../../UtilXlib -I. -c rrmmdiagg.f90 -o rrmmdiagg.o\nar ruv libupf.a atwfc_mod.o beta_mod.o qrad_mod.o rhoat_mod.o rhoc_mod.o vloc_mod.o qvan2.o dqvan2.o gen_us_dj.o gen_us_dy.o init_us_0.o init_us_b0.o init_us_1.o init_us_2_acc.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libupf.a\na - atwfc_mod.o\na - beta_mod.o\na - qrad_mod.o\na - rhoat_mod.o\na - rhoc_mod.o\na - vloc_mod.o\na - qvan2.o\na - dqvan2.o\na - gen_us_dj.o\na - gen_us_dy.o\na - init_us_0.o\na - init_us_b0.o\na - init_us_1.o\na - init_us_2_acc.o\na - atom.o\na - atomic_number.o\na - dylmr2.o\na - gth.o\na - paw_variables.o\na - pseudo_types.o\na - radial_grids.o\na - read_cpmd.o\na - read_fhi.o\na - read_ncpp.o\na - read_ps.o\na - read_psml.o\na - read_upf_new.o\na - read_upf_v1.o\na - read_uspp.o\na - spinor.o\na - sph_ind.o\na - sph_bes.o\na - splinelib.o\na - simpsn.o\na - upf_auxtools.o\na - upf_const.o\na - upf_error.o\na - upf_invmat.o\na - upf_io.o\na - upf_ions.o\na - upf_kinds.o\na - upf_params.o\na - upf_parallel_include.o\na - upf_spinorb.o\na - upf_to_internal.o\na - upf_utils.o\na - uspp.o\na - uspp_param.o\na - write_upf_new.o\na - xmltools.o\na - ylmr2.o\na - ylmr2_gpu.o\na - dom.o\na - wxml.o\nranlib libupf.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/upflib'\n( cd Modules ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/Modules'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c kind.f90 -o kind.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c parameters.f90 -o parameters.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c io_global.f90 -o io_global.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_bands.f90 -o mp_bands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c noncol.f90 -o noncol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c bspline.f90 -o bspline.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fft_base.f90 -o fft_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c coulomb_vcut.f90 -o coulomb_vcut.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c environ_api_stub.f90 -o environ_api_stub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_pools.f90 -o mp_pools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qeh5_module.f90 -o qeh5_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c version.f90 -o version.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fsockets.f90 -o fsockets.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lmdif.f90 -o lmdif.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plugin_flags.f90 -o plugin_flags.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mdiis.f90 -o mdiis.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_wave.f90 -o mp_wave.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c open_close_input_file.f90 -o open_close_input_file.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plugin_arguments.f90 -o plugin_arguments.o\nar ruv librmm.a crmmdiagg.o rrmmdiagg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating librmm.a\na - crmmdiagg.o\na - rrmmdiagg.o\nranlib librmm.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_HSpsi_gamma.f90 -o rotate_HSpsi_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_HSpsi_k.f90 -o rotate_HSpsi_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_wfc_gamma.f90 -o rotate_wfc_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plugin_variables.f90 -o plugin_variables.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wypos.f90 -o wypos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c run_info.f90 -o run_info.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_wfc_k.f90 -o rotate_wfc_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c space_group.f90 -o space_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_driver.f90 -o rotate_driver.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c set_vdw_corr.f90 -o set_vdw_corr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_types_module.f90 -o qes_types_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_xpsi_k.f90 -o rotate_xpsi_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c setqf.f90 -o setqf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_xpsi_gamma.f90 -o rotate_xpsi_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c timestep.f90 -o timestep.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c gram_schmidt_gamma.f90 -o gram_schmidt_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_bcast_module.f90 -o qes_bcast_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c gram_schmidt_k.f90 -o gram_schmidt_k.o\nar ruv libdense.a rotate_HSpsi_gamma.o rotate_HSpsi_k.o rotate_wfc_gamma.o rotate_wfc_k.o rotate_driver.o rotate_xpsi_k.o rotate_xpsi_gamma.o gram_schmidt_gamma.o gram_schmidt_k.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdense.a\na - rotate_HSpsi_gamma.o\na - rotate_HSpsi_k.o\na - rotate_wfc_gamma.o\na - rotate_wfc_k.o\na - rotate_driver.o\na - rotate_xpsi_k.o\na - rotate_xpsi_gamma.o\na - gram_schmidt_gamma.o\na - gram_schmidt_k.o\nranlib libdense.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nif test -d Direct ; then \\\n ( cd Direct ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c direct_diag_k.f90 -o direct_diag_k.o\nar ruv libdirect.a direct_diag_k.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdirect.a\na - direct_diag_k.o\nranlib libdirect.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nar ruv libks_solvers.a Davidson_RCI/david_rci.o Davidson/cegterg.o Davidson/regterg.o Davidson/pcegterg.o Davidson/pregterg.o CG/ccgdiagg.o CG/rcgdiagg.o ParO/bpcg_gamma.o ParO/bpcg_k.o ParO/paro_gamma.o ParO/pcg_gamma.o ParO/paro_k.o ParO/pcg_k.o ParO/paro_gamma_new.o ParO/paro_k_new.o DENSE/rotate_HSpsi_gamma.o DENSE/rotate_HSpsi_k.o DENSE/rotate_wfc_gamma.o DENSE/rotate_wfc_k.o DENSE/rotate_driver.o DENSE/gram_schmidt_gamma.o DENSE/gram_schmidt_k.o DENSE/rotate_xpsi_gamma.o DENSE/rotate_xpsi_k.o RMM/crmmdiagg.o RMM/rrmmdiagg.o Direct/direct_diag_k.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libks_solvers.a\na - Davidson_RCI/david_rci.o\na - Davidson/cegterg.o\na - Davidson/regterg.o\na - Davidson/pcegterg.o\na - Davidson/pregterg.o\na - CG/ccgdiagg.o\na - CG/rcgdiagg.o\na - ParO/bpcg_gamma.o\na - ParO/bpcg_k.o\na - ParO/paro_gamma.o\na - ParO/pcg_gamma.o\na - ParO/paro_k.o\na - ParO/pcg_k.o\na - ParO/paro_gamma_new.o\na - ParO/paro_k_new.o\na - DENSE/rotate_HSpsi_gamma.o\na - DENSE/rotate_HSpsi_k.o\na - DENSE/rotate_wfc_gamma.o\na - DENSE/rotate_wfc_k.o\na - DENSE/rotate_driver.o\na - DENSE/gram_schmidt_gamma.o\na - DENSE/gram_schmidt_k.o\na - DENSE/rotate_xpsi_gamma.o\na - DENSE/rotate_xpsi_k.o\na - RMM/crmmdiagg.o\na - RMM/rrmmdiagg.o\na - Direct/direct_diag_k.o\nranlib libks_solvers.a\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include ks_solver_interfaces.h -o ks_solver_interfaces.fh\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_init_module.f90 -o qes_init_module.o\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_read_module.f90 -o qes_read_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_reset_module.f90 -o qes_reset_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_write_module.f90 -o qes_write_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c molecule_types.f90 -o molecule_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wyckoff.f90 -o wyckoff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c zvscal.f90 -o zvscal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wave_gauge.f90 -o wave_gauge.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c atom_weight.f90 -o atom_weight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c cryst_to_car.f90 -o cryst_to_car.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c expint.f90 -o expint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c generate_k_along_lines.f90 -o generate_k_along_lines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c has_xml.f90 -o has_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c inpfile.f90 -o inpfile.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c int_to_char.f90 -o int_to_char.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c linpack.f90 -o linpack.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plot_io.f90 -o plot_io.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c radial_gradients.f90 -o radial_gradients.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rgen.f90 -o rgen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c recips.f90 -o recips.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c remove_tot_torque.f90 -o remove_tot_torque.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c sort.f90 -o sort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c trimcheck.f90 -o trimcheck.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c date_and_tim.f90 -o date_and_tim.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c volume.f90 -o volume.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c deviatoric.f90 -o deviatoric.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c customize_signals.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c qmmm_aux.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c sockets.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_rism.f90 -o mp_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c err_rism.f90 -o err_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvmol.f90 -o solvmol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c cryst_to_car_2d.f90 -o cryst_to_car_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lj_forcefield.f90 -o lj_forcefield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_swap_ax_rism.f90 -o mp_swap_ax_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plot_rism.f90 -o plot_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rms_residual.f90 -o rms_residual.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c constants.f90 -o constants.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c control_flags.f90 -o control_flags.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c invmat.f90 -o invmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wannier_new.f90 -o wannier_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_images.f90 -o mp_images.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c recvec.f90 -o recvec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_world.f90 -o mp_world.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c random_numbers.f90 -o random_numbers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c cell_nose.f90 -o cell_nose.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c basic_algebra_routines.f90 -o basic_algebra_routines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c io_files.f90 -o io_files.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c bz_form.f90 -o bz_form.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c set_signal.f90 -o set_signal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c command_line_options.f90 -o command_line_options.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c electrons_base.f90 -o electrons_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fox_init_module.f90 -o fox_init_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fft_rho.f90 -o fft_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fft_wave.f90 -o fft_wave.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c gvecw.f90 -o gvecw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_exx.f90 -o mp_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_global.f90 -o mp_global.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c printout_base.f90 -o printout_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c pw_dot.f90 -o pw_dot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c recvec_subs.f90 -o recvec_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c set_para_diag.f90 -o set_para_diag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c copy_order_um_from_xml.f90 -o copy_order_um_from_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wavefunctions.f90 -o wavefunctions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c ws_base.f90 -o ws_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c io_base.f90 -o io_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_libs_module.f90 -o qes_libs_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qexsd_input.f90 -o qexsd_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qexsd_copy.f90 -o qexsd_copy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c hdf5_qe.f90 -o hdf5_qe.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c xsf.f90 -o xsf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c random_numbers_gpu.f90 -o random_numbers_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c latgen.f90 -o latgen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wgauss.f90 -o wgauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c w0gauss.f90 -o w0gauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c w1gauss.f90 -o w1gauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lauefft.f90 -o lauefft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c radfft.f90 -o radfft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c molecule_const.f90 -o molecule_const.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c suscept_g0.f90 -o suscept_g0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c cell_base.f90 -o cell_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c input_parameters.f90 -o input_parameters.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c parser.f90 -o parser.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c ions_base.f90 -o ions_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c becmod.f90 -o becmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c bfgs_module.f90 -o bfgs_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c check_stop.f90 -o check_stop.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c compute_dipole.f90 -o compute_dipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c environment.f90 -o environment.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c extffield.f90 -o extffield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fd_gradient.f90 -o fd_gradient.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c xc_rVV10.f90 -o xc_rVV10.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c xc_vdW_DF.f90 -o xc_vdW_DF.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c generate_function.f90 -o generate_function.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c gradutils.f90 -o gradutils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c makov_payne.f90 -o makov_payne.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mm_dispersion.f90 -o mm_dispersion.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qmmm.f90 -o qmmm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_namelists.f90 -o read_namelists.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c tsvdw.f90 -o tsvdw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wannier_gw.f90 -o wannier_gw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qexsd_init.f90 -o qexsd_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c recvec_3drism.f90 -o recvec_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c xml_io_rism.f90 -o xml_io_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_mol.f90 -o read_mol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lauefft_subs.f90 -o lauefft_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvavg.f90 -o solvavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c scale_fft_3drism.f90 -o scale_fft_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c scale_fft_lauerism.f90 -o scale_fft_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c additional_kpoints.f90 -o additional_kpoints.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c atomic_wfc_mod.f90 -o atomic_wfc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c autopilot.f90 -o autopilot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c ions_nose.f90 -o ions_nose.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c constraints_module.f90 -o constraints_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c dist.f90 -o dist.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c environ_base_module.f90 -o environ_base_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c funct.f90 -o funct.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_cards.f90 -o read_cards.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c allocate_fft_3drism.f90 -o allocate_fft_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rism.f90 -o rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c data_structure_3drism.f90 -o data_structure_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_solv.f90 -o read_solv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_pseudo.f90 -o read_pseudo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mbdlib.f90 -o mbdlib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qexsd.f90 -o qexsd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c chempot.f90 -o chempot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c chempot_lauerism.f90 -o chempot_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c closure.f90 -o closure.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c corrdipole_laue.f90 -o corrdipole_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c correctat0_vv.f90 -o correctat0_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c corrgxy0_laue.f90 -o corrgxy0_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c do_1drism.f90 -o do_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c do_3drism.f90 -o do_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c do_lauerism.f90 -o do_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_1drism.f90 -o eqn_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_3drism.f90 -o eqn_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauedipole.f90 -o eqn_lauedipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauegxy0.f90 -o eqn_lauegxy0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauelong.f90 -o eqn_lauelong.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauerism.f90 -o eqn_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_laueshort.f90 -o eqn_laueshort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauevoid.f90 -o eqn_lauevoid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c guess_3drism.f90 -o guess_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c init_1drism.f90 -o init_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c io_rism_xml.f90 -o io_rism_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solute.f90 -o solute.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c molecorr_vv.f90 -o molecorr_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c molebridge_vv.f90 -o molebridge_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c normalize_lauerism.f90 -o normalize_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c potential_3drism.f90 -o potential_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c potential_esm.f90 -o potential_esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c potential_vv.f90 -o potential_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_chempot_3drism.f90 -o print_chempot_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_chempot_lauerism.f90 -o print_chempot_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_chempot_vv.f90 -o print_chempot_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_corr_vv.f90 -o print_corr_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_3drism.f90 -o solvation_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_force.f90 -o solvation_force.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_lauerism.f90 -o solvation_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_pbc.f90 -o solvation_pbc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_stress.f90 -o solvation_stress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c suscept_laue.f90 -o suscept_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c suscept_laueint.f90 -o suscept_laueint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c suscept_vv.f90 -o suscept_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c write_rism_type.f90 -o write_rism_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_input.f90 -o read_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rism1d_facade.f90 -o rism1d_facade.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rism3d_facade.f90 -o rism3d_facade.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lj_solute.f90 -o lj_solute.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c init_3drism.f90 -o init_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c input_1drism.f90 -o input_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_solvavg.f90 -o print_solvavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_esm.f90 -o solvation_esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c summary_1drism.f90 -o summary_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c summary_3drism.f90 -o summary_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c input_3drism.f90 -o input_3drism.o\nar ruv libqemod.a additional_kpoints.o atomic_wfc_mod.o autopilot.o ions_nose.o cell_nose.o basic_algebra_routines.o becmod.o bfgs_module.o bspline.o bz_form.o cell_base.o check_stop.o command_line_options.o compute_dipole.o constants.o constraints_module.o control_flags.o coulomb_vcut.o dist.o electrons_base.o environ_base_module.o environment.o extffield.o fd_gradient.o fft_base.o fft_rho.o fft_wave.o fsockets.o funct.o generate_function.o gradutils.o gvecw.o input_parameters.o invmat.o io_files.o io_global.o ions_base.o kind.o lmdif.o makov_payne.o mdiis.o mm_dispersion.o mp_bands.o mp_exx.o mp_global.o mp_images.o mp_pools.o mp_wave.o mp_world.o noncol.o open_close_input_file.o parameters.o parser.o plugin_flags.o plugin_arguments.o plugin_variables.o printout_base.o pw_dot.o qmmm.o random_numbers.o read_cards.o read_input.o read_namelists.o read_pseudo.o recvec.o recvec_subs.o run_info.o space_group.o set_para_diag.o set_signal.o set_vdw_corr.o copy_order_um_from_xml.o setqf.o timestep.o tsvdw.o mbdlib.o version.o wannier_gw.o wannier_new.o wavefunctions.o ws_base.o xc_vdW_DF.o xc_rVV10.o io_base.o qes_types_module.o qes_libs_module.o qes_write_module.o qes_read_module.o qes_reset_module.o qes_init_module.o qes_bcast_module.o qexsd.o qexsd_copy.o qexsd_init.o qexsd_input.o hdf5_qe.o qeh5_module.o fox_init_module.o xsf.o wyckoff.o wypos.o zvscal.o wave_gauge.o random_numbers_gpu.o atom_weight.o cryst_to_car.o expint.o generate_k_along_lines.o has_xml.o inpfile.o int_to_char.o latgen.o linpack.o plot_io.o radial_gradients.o rgen.o recips.o remove_tot_torque.o sort.o trimcheck.o date_and_tim.o volume.o wgauss.o w0gauss.o w1gauss.o deviatoric.o customize_signals.o qmmm_aux.o sockets.o allocate_fft_3drism.o chempot.o chempot_lauerism.o closure.o corrdipole_laue.o correctat0_vv.o corrgxy0_laue.o cryst_to_car_2d.o data_structure_3drism.o do_1drism.o do_3drism.o do_lauerism.o eqn_1drism.o eqn_3drism.o eqn_lauedipole.o eqn_lauegxy0.o eqn_lauelong.o eqn_lauerism.o eqn_laueshort.o eqn_lauevoid.o err_rism.o guess_3drism.o init_1drism.o init_3drism.o input_1drism.o input_3drism.o io_rism_xml.o lauefft.o lauefft_subs.o lj_forcefield.o lj_solute.o molecorr_vv.o molebridge_vv.o molecule_const.o molecule_types.o mp_rism.o mp_swap_ax_rism.o normalize_lauerism.o plot_rism.o potential_3drism.o potential_esm.o potential_vv.o print_chempot_3drism.o print_chempot_lauerism.o print_chempot_vv.o print_corr_vv.o print_solvavg.o radfft.o read_mol.o read_solv.o recvec_3drism.o rism.o rism1d_facade.o rism3d_facade.o rms_residual.o scale_fft_3drism.o scale_fft_lauerism.o solute.o solvation_3drism.o solvation_esm.o solvation_force.o solvation_lauerism.o solvation_pbc.o solvation_stress.o solvavg.o solvmol.o summary_1drism.o summary_3drism.o suscept_g0.o suscept_laue.o suscept_laueint.o suscept_vv.o write_rism_type.o xml_io_rism.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqemod.a\na - additional_kpoints.o\na - atomic_wfc_mod.o\na - autopilot.o\na - ions_nose.o\na - cell_nose.o\na - basic_algebra_routines.o\na - becmod.o\na - bfgs_module.o\na - bspline.o\na - bz_form.o\na - cell_base.o\na - check_stop.o\na - command_line_options.o\na - compute_dipole.o\na - constants.o\na - constraints_module.o\na - control_flags.o\na - coulomb_vcut.o\na - dist.o\na - electrons_base.o\na - environ_base_module.o\na - environment.o\na - extffield.o\na - fd_gradient.o\na - fft_base.o\na - fft_rho.o\na - fft_wave.o\na - fsockets.o\na - funct.o\na - generate_function.o\na - gradutils.o\na - gvecw.o\na - input_parameters.o\na - invmat.o\na - io_files.o\na - io_global.o\na - ions_base.o\na - kind.o\na - lmdif.o\na - makov_payne.o\na - mdiis.o\na - mm_dispersion.o\na - mp_bands.o\na - mp_exx.o\na - mp_global.o\na - mp_images.o\na - mp_pools.o\na - mp_wave.o\na - mp_world.o\na - noncol.o\na - open_close_input_file.o\na - parameters.o\na - parser.o\na - plugin_flags.o\na - plugin_arguments.o\na - plugin_variables.o\na - printout_base.o\na - pw_dot.o\na - qmmm.o\na - random_numbers.o\na - read_cards.o\na - read_input.o\na - read_namelists.o\na - read_pseudo.o\na - recvec.o\na - recvec_subs.o\na - run_info.o\na - space_group.o\na - set_para_diag.o\na - set_signal.o\na - set_vdw_corr.o\na - copy_order_um_from_xml.o\na - setqf.o\na - timestep.o\na - tsvdw.o\na - mbdlib.o\na - version.o\na - wannier_gw.o\na - wannier_new.o\na - wavefunctions.o\na - ws_base.o\na - xc_vdW_DF.o\na - xc_rVV10.o\na - io_base.o\na - qes_types_module.o\na - qes_libs_module.o\na - qes_write_module.o\na - qes_read_module.o\na - qes_reset_module.o\na - qes_init_module.o\na - qes_bcast_module.o\na - qexsd.o\na - qexsd_copy.o\na - qexsd_init.o\na - qexsd_input.o\na - hdf5_qe.o\na - qeh5_module.o\na - fox_init_module.o\na - xsf.o\na - wyckoff.o\na - wypos.o\na - zvscal.o\na - wave_gauge.o\na - random_numbers_gpu.o\na - atom_weight.o\na - cryst_to_car.o\na - expint.o\na - generate_k_along_lines.o\na - has_xml.o\na - inpfile.o\na - int_to_char.o\na - latgen.o\na - linpack.o\na - plot_io.o\na - radial_gradients.o\na - rgen.o\na - recips.o\na - remove_tot_torque.o\na - sort.o\na - trimcheck.o\na - date_and_tim.o\na - volume.o\na - wgauss.o\na - w0gauss.o\na - w1gauss.o\na - deviatoric.o\na - customize_signals.o\na - qmmm_aux.o\na - sockets.o\na - allocate_fft_3drism.o\na - chempot.o\na - chempot_lauerism.o\na - closure.o\na - corrdipole_laue.o\na - correctat0_vv.o\na - corrgxy0_laue.o\na - cryst_to_car_2d.o\na - data_structure_3drism.o\na - do_1drism.o\na - do_3drism.o\na - do_lauerism.o\na - eqn_1drism.o\na - eqn_3drism.o\na - eqn_lauedipole.o\na - eqn_lauegxy0.o\na - eqn_lauelong.o\na - eqn_lauerism.o\na - eqn_laueshort.o\na - eqn_lauevoid.o\na - err_rism.o\na - guess_3drism.o\na - init_1drism.o\na - init_3drism.o\na - input_1drism.o\na - input_3drism.o\na - io_rism_xml.o\na - lauefft.o\na - lauefft_subs.o\na - lj_forcefield.o\na - lj_solute.o\na - molecorr_vv.o\na - molebridge_vv.o\na - molecule_const.o\na - molecule_types.o\na - mp_rism.o\na - mp_swap_ax_rism.o\na - normalize_lauerism.o\na - plot_rism.o\na - potential_3drism.o\na - potential_esm.o\na - potential_vv.o\na - print_chempot_3drism.o\na - print_chempot_lauerism.o\na - print_chempot_vv.o\na - print_corr_vv.o\na - print_solvavg.o\na - radfft.o\na - read_mol.o\na - read_solv.o\na - recvec_3drism.o\na - rism.o\na - rism1d_facade.o\na - rism3d_facade.o\na - rms_residual.o\na - scale_fft_3drism.o\na - scale_fft_lauerism.o\na - solute.o\na - solvation_3drism.o\na - solvation_esm.o\na - solvation_force.o\na - solvation_lauerism.o\na - solvation_pbc.o\na - solvation_stress.o\na - solvavg.o\na - solvmol.o\na - summary_1drism.o\na - summary_3drism.o\na - suscept_g0.o\na - suscept_laue.o\na - suscept_laueint.o\na - suscept_vv.o\na - write_rism_type.o\na - xml_io_rism.o\nranlib libqemod.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/Modules'\n( cd dft-d3 ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c common.f90 -o common.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c sizes.f90 -o sizes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c pars.f90 -o pars.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c core.f90 -o core.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c api.f90 -o api.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c dftd3_qe.f90 -o dftd3_qe.o\nar ruv libdftd3qe.a common.o sizes.o pars.o core.o api.o dftd3_qe.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdftd3qe.a\na - common.o\na - sizes.o\na - pars.o\na - core.o\na - api.o\na - dftd3_qe.o\nranlib libdftd3qe.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nif test -d PW ; then \\\n( cd PW ; make pwlibs || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pwcom.f90 -o pwcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c start_k.f90 -o start_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c symm_base.f90 -o symm_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c extfield.f90 -o extfield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_enums.f90 -o oscdft_enums.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_indices.f90 -o oscdft_indices.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c buffers.f90 -o buffers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c atomic_wfc_mod.f90 -o atomic_wfc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_us_2.f90 -o init_us_2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c allocate_locpot.f90 -o allocate_locpot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c allocate_wfc.f90 -o allocate_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c starting_scf_mod.f90 -o starting_scf_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c atomic_wfc.f90 -o atomic_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c acfdt_in_pw.f90 -o acfdt_in_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c bp_mod.f90 -o bp_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c bp_strings.f90 -o bp_strings.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c Coul_cut_2D.f90 -o Coul_cut_2D.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx_bp_utils.f90 -o exx_bp_utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c paw_onecenter.f90 -o paw_onecenter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c dynamics_module.f90 -o dynamics_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_dynamics.f90 -o fcp_dynamics.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_relaxation.f90 -o fcp_relaxation.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c martyna_tuckerman.f90 -o martyna_tuckerman.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c tetra.f90 -o tetra.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c two_chem.f90 -o two_chem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c g_psi_mod.f90 -o g_psi_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c c_phase_field.f90 -o c_phase_field.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c cdiagh.f90 -o cdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c paw_symmetry.f90 -o paw_symmetry.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c symme.f90 -o symme.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_deff.f90 -o compute_deff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_dip.f90 -o compute_dip.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_rho.f90 -o compute_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_qdipol.f90 -o compute_qdipol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_qdipol_so.f90 -o compute_qdipol_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_ux.f90 -o compute_ux.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c d_matrix.f90 -o d_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c divide_class.f90 -o divide_class.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c divide_class_so.f90 -o divide_class_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c divide_et_impera.f90 -o divide_et_impera.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c rotate_wfc.f90 -o rotate_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c efermig.f90 -o efermig.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c efermit.f90 -o efermit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c environ_io_stub.f90 -o environ_io_stub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c eqvect.f90 -o eqvect.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ewald.f90 -o ewald.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ewald_dipole.f90 -o ewald_dipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_dyn_calcavg.f90 -o fcp_dyn_calcavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_dyn_printavg.f90 -o fcp_dyn_printavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_hessian.f90 -o fcp_hessian.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c find_group.f90 -o find_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c forces_bp_efield.f90 -o forces_bp_efield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_ew.f90 -o force_ew.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c g_psi.f90 -o g_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gen_at_dj.f90 -o gen_at_dj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gen_at_dy.f90 -o gen_at_dy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c get_locals.f90 -o get_locals.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gk_sort.f90 -o gk_sort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gradcorr.f90 -o gradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gweights.f90 -o gweights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c g2_kin.f90 -o g2_kin.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hs_psi.f90 -o hs_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c h_epsi_her_apply.f90 -o h_epsi_her_apply.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c h_epsi_her_set.f90 -o h_epsi_her_set.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c irreducible_BZ.f90 -o irreducible_BZ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c iweights.f90 -o iweights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c kpoint_grid.f90 -o kpoint_grid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c lchk_tauxk.f90 -o lchk_tauxk.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c make_pointlists.f90 -o make_pointlists.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c manypw.f90 -o manypw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c multable.f90 -o multable.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c n_plane_waves.f90 -o n_plane_waves.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c new_occ.f90 -o new_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c orthoatwfc.f90 -o orthoatwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c output_tau.f90 -o output_tau.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c para.f90 -o para.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_print_energies.f90 -o plugin_print_energies.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_init_ions.f90 -o plugin_init_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_init_cell.f90 -o plugin_init_cell.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_init_potential.f90 -o plugin_init_potential.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_initbase.f90 -o plugin_initbase.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_clean.f90 -o plugin_clean.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_check.f90 -o plugin_check.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_clock.f90 -o plugin_clock.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_summary.f90 -o plugin_summary.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_initialization.f90 -o plugin_initialization.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_ext_forces.f90 -o plugin_ext_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_int_forces.f90 -o plugin_int_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_read_input.f90 -o plugin_read_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw_init_qexsd_input.f90 -o pw_init_qexsd_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw2blip.f90 -o pw2blip.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw2casino.f90 -o pw2casino.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c rdiagh.f90 -o rdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c read_conf_from_file.f90 -o read_conf_from_file.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c rho2zeta.f90 -o rho2zeta.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ruotaijk.f90 -o ruotaijk.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c save_in_cbands.f90 -o save_in_cbands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_kplusq.f90 -o set_kplusq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_kup_and_kdw.f90 -o set_kup_and_kdw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_occupations.f90 -o set_occupations.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_spin_vars.f90 -o set_spin_vars.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_vrs.f90 -o set_vrs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stop_run.f90 -o stop_run.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_ewa.f90 -o stres_ewa.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_knl.f90 -o stres_knl.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_us.f90 -o stres_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_nonloc_dft.f90 -o stres_nonloc_dft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c struct_fact.f90 -o struct_fact.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c sumkg.f90 -o sumkg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c sumkt.f90 -o sumkt.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c symmetrize_at.f90 -o symmetrize_at.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c transform_becsum_so.f90 -o transform_becsum_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c transform_becsum_nc.f90 -o transform_becsum_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c trnvecc.f90 -o trnvecc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vcsmd.f90 -o vcsmd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vcsubs.f90 -o vcsubs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vloc_psi_tg.f90 -o vloc_psi_tg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vloc_psi_acc.f90 -o vloc_psi_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c utils.f90 -o utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wsweight.f90 -o wsweight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ortho_wfc.f90 -o ortho_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wannier_init.f90 -o wannier_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wannier_check.f90 -o wannier_check.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wannier_occ.f90 -o wannier_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c d3hess_mod.f90 -o d3hess_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c utils_gpu.f90 -o utils_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c a2fmod.f90 -o a2fmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_bfield.f90 -o add_bfield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_efield.f90 -o add_efield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_dmft_occ.f90 -o add_dmft_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_vuspsi.f90 -o add_vuspsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_vuspsi_acc.f90 -o add_vuspsi_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_gatefield.f90 -o add_gatefield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_paw_to_deeq.f90 -o add_paw_to_deeq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_paw_to_deeq_acc.f90 -o add_paw_to_deeq_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_wavefunction.f90 -o oscdft_wavefunction.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_input.f90 -o oscdft_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c atomic_rho.f90 -o atomic_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c bp_c_phase.f90 -o bp_c_phase.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx_base.f90 -o exx_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c paw_exx.f90 -o paw_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_us.f90 -o force_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c print_ks_energies.f90 -o print_ks_energies.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c save_in_electrons.f90 -o save_in_electrons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_forces.f90 -o oscdft_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_common_mod.f90 -o esm_common_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_context.f90 -o oscdft_context.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_base.f90 -o oscdft_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_wavefunction_subs.f90 -o oscdft_wavefunction_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_occupations.f90 -o oscdft_occupations.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_wfcO.f90 -o oscdft_wfcO.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_functions_gpu.f90 -o oscdft_functions_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_functions.f90 -o oscdft_functions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_forces_subs.f90 -o oscdft_forces_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ldaU.f90 -o ldaU.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c restart_in_electrons.f90 -o restart_in_electrons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c scf_mod.f90 -o scf_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c average_pp.f90 -o average_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c close_files.f90 -o close_files.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c commutator_Hx_psi.f90 -o commutator_Hx_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hubbard.f90 -o hubbard.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_q_aeps.f90 -o init_q_aeps.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c intersite_V.f90 -o intersite_V.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c new_nsb.f90 -o new_nsb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c new_nsg.f90 -o new_nsg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ns_adj.f90 -o ns_adj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c offset_atom_wfc.f90 -o offset_atom_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c openfil.f90 -o openfil.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c orthoUwfc.f90 -o orthoUwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_scf_energy.f90 -o plugin_scf_energy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_scf_potential.f90 -o plugin_scf_potential.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plus_u_full.f90 -o plus_u_full.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c remove_atomic_rho.f90 -o remove_atomic_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c report_mag.f90 -o report_mag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_rhoc.f90 -o set_rhoc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_cc.f90 -o stres_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_gradcorr.f90 -o stres_gradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_har.f90 -o stres_har.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_hub.f90 -o stres_hub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_mgga.f90 -o stres_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c usnldiag.f90 -o usnldiag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c v_hubbard.f90 -o v_hubbard.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vhpsi.f90 -o vhpsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vhpsi_U.f90 -o vhpsi_U.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c write_ns.f90 -o write_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wannier_clean.f90 -o wannier_clean.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_extended.f90 -o oscdft_extended.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_vhub_to_deeq.f90 -o add_vhub_to_deeq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_vhub_to_deeq_acc.f90 -o add_vhub_to_deeq_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c realus.f90 -o realus.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c allocate_fft.f90 -o allocate_fft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c beef.f90 -o beef.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_ewald_mod.f90 -o esm_ewald_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_force_mod.f90 -o esm_force_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_hartree_mod.f90 -o esm_hartree_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_local_mod.f90 -o esm_local_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_stres_mod.f90 -o esm_stres_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c xdm_dispersion.f90 -o xdm_dispersion.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c sic.f90 -o sic.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c orbm_kubo.f90 -o orbm_kubo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c paw_init.f90 -o paw_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c commutator_Vhubx_psi.f90 -o commutator_Vhubx_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c data_structure.f90 -o data_structure.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c update_pot.f90 -o update_pot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c io_rho_xml.f90 -o io_rho_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c printpot.f90 -o printpot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_cc.f90 -o force_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_corr.f90 -o force_corr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_hub.f90 -o force_hub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hs_1psi.f90 -o hs_1psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c h_psi_meta.f90 -o h_psi_meta.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hinit0.f90 -o hinit0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_ns.f90 -o init_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_nsg.f90 -o init_nsg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c new_ns.f90 -o new_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c s_1psi.f90 -o s_1psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c s_psi.f90 -o s_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c addusdens.f90 -o addusdens.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c addusforce.f90 -o addusforce.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c addusstress.f90 -o addusstress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c newd_acc.f90 -o newd_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm.f90 -o esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c us_exx.f90 -o us_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c scissor.f90 -o scissor.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c run_driver.f90 -o run_driver.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c environ_pw_module.f90 -o environ_pw_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_capacitance.f90 -o fcp_capacitance.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_lc.f90 -o force_lc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_vloc.f90 -o init_vloc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_loc.f90 -o stres_loc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c v_of_rho.f90 -o v_of_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx_bp.f90 -o exx_bp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx_std.f90 -o exx_std.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c rism_module.f90 -o rism_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_becsum.f90 -o compute_becsum.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_module.f90 -o fcp_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c forces.f90 -o forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_run.f90 -o init_run.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c potinit.f90 -o potinit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c print_clock_pw.f90 -o print_clock_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_qexsd_step.f90 -o add_qexsd_step.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c setlocal.f90 -o setlocal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gcscf_module.f90 -o gcscf_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_input.f90 -o fcp_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c move_ions.f90 -o move_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c mix_rho.f90 -o mix_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gcscf_input.f90 -o gcscf_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c sum_band.f90 -o sum_band.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c weights.f90 -o weights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx.f90 -o exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hinit1.f90 -o hinit1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw_restart_new.f90 -o pw_restart_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c clean_pw.f90 -o clean_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c loc_scdm.f90 -o loc_scdm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c h_psi.f90 -o h_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c memory_report.f90 -o memory_report.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c non_scf.f90 -o non_scf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw2casino_write.f90 -o pw2casino_write.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c run_pwscf.f90 -o run_pwscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c scale_h.f90 -o scale_h.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stress.f90 -o stress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c summary.f90 -o summary.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c loc_scdm_k.f90 -o loc_scdm_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c input.f90 -o input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c punch.f90 -o punch.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c read_file_new.f90 -o read_file_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wfcinit.f90 -o wfcinit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c diag_direct.f90 -o diag_direct.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c electrons.f90 -o electrons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c c_bands.f90 -o c_bands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c setup.f90 -o setup.o\nar ruv libpw.a a2fmod.o add_bfield.o add_efield.o add_dmft_occ.o add_vuspsi.o add_vuspsi_acc.o add_gatefield.o add_paw_to_deeq.o add_paw_to_deeq_acc.o add_vhub_to_deeq.o add_vhub_to_deeq_acc.o addusdens.o addusforce.o addusstress.o allocate_fft.o allocate_locpot.o allocate_wfc.o atomic_rho.o atomic_wfc.o atomic_wfc_mod.o average_pp.o acfdt_in_pw.o newd_acc.o beef.o bp_mod.o bp_c_phase.o bp_strings.o buffers.o c_bands.o c_phase_field.o orbm_kubo.o cdiagh.o clean_pw.o close_files.o commutator_Hx_psi.o commutator_Vhubx_psi.o compute_becsum.o compute_deff.o compute_dip.o compute_rho.o compute_qdipol.o compute_qdipol_so.o compute_ux.o Coul_cut_2D.o d_matrix.o data_structure.o diag_direct.o divide_class.o divide_class_so.o divide_et_impera.o rotate_wfc.o run_driver.o dynamics_module.o efermig.o efermit.o electrons.o environ_pw_module.o eqvect.o esm.o esm_common_mod.o esm_ewald_mod.o esm_force_mod.o esm_hartree_mod.o esm_local_mod.o esm_stres_mod.o ewald.o ewald_dipole.o extfield.o exx_base.o exx.o exx_std.o exx_bp_utils.o exx_bp.o fcp_capacitance.o fcp_dyn_calcavg.o fcp_dyn_printavg.o fcp_dynamics.o fcp_hessian.o fcp_input.o fcp_module.o fcp_relaxation.o find_group.o forces_bp_efield.o force_cc.o force_corr.o force_ew.o force_hub.o force_lc.o force_us.o forces.o g_psi.o g_psi_mod.o gcscf_input.o gcscf_module.o gen_at_dj.o gen_at_dy.o get_locals.o gk_sort.o gradcorr.o gweights.o g2_kin.o hs_psi.o hs_1psi.o h_epsi_her_apply.o h_epsi_her_set.o h_psi.o h_psi_meta.o hinit0.o hinit1.o hubbard.o init_ns.o init_q_aeps.o init_run.o init_us_2.o init_vloc.o input.o io_rho_xml.o irreducible_BZ.o iweights.o intersite_V.o init_nsg.o start_k.o kpoint_grid.o lchk_tauxk.o ldaU.o make_pointlists.o manypw.o martyna_tuckerman.o memory_report.o mix_rho.o move_ions.o multable.o n_plane_waves.o new_ns.o new_nsb.o new_nsg.o new_occ.o ns_adj.o non_scf.o offset_atom_wfc.o openfil.o orthoatwfc.o orthoUwfc.o output_tau.o para.o paw_exx.o paw_init.o paw_onecenter.o paw_symmetry.o plugin_print_energies.o plugin_scf_energy.o plugin_scf_potential.o plugin_init_ions.o plugin_init_cell.o plugin_init_potential.o plugin_initbase.o plugin_clean.o plugin_check.o plugin_clock.o plugin_summary.o plugin_initialization.o plugin_ext_forces.o plugin_int_forces.o plugin_read_input.o plus_u_full.o potinit.o print_clock_pw.o print_ks_energies.o printpot.o punch.o pw_restart_new.o add_qexsd_step.o pw_init_qexsd_input.o pwcom.o pw2blip.o pw2casino.o pw2casino_write.o rdiagh.o read_conf_from_file.o read_file_new.o realus.o remove_atomic_rho.o report_mag.o restart_in_electrons.o rho2zeta.o rism_module.o ruotaijk.o run_pwscf.o s_1psi.o s_psi.o save_in_cbands.o save_in_electrons.o scale_h.o loc_scdm.o loc_scdm_k.o scf_mod.o set_kplusq.o set_kup_and_kdw.o set_occupations.o set_rhoc.o set_spin_vars.o set_vrs.o setlocal.o setup.o scissor.o sic.o starting_scf_mod.o stop_run.o stres_cc.o stres_ewa.o stres_gradcorr.o stres_har.o stres_hub.o stres_knl.o stres_loc.o stres_us.o stres_nonloc_dft.o stres_mgga.o stress.o struct_fact.o sum_band.o sumkg.o sumkt.o summary.o symme.o symm_base.o symmetrize_at.o tetra.o transform_becsum_so.o transform_becsum_nc.o trnvecc.o two_chem.o update_pot.o us_exx.o usnldiag.o v_hubbard.o v_of_rho.o vcsmd.o vcsubs.o vhpsi.o vhpsi_U.o vloc_psi_tg.o vloc_psi_acc.o utils.o xdm_dispersion.o wfcinit.o write_ns.o wsweight.o weights.o ortho_wfc.o wannier_init.o wannier_check.o wannier_clean.o wannier_occ.o oscdft_input.o oscdft_context.o oscdft_base.o oscdft_enums.o oscdft_indices.o oscdft_wavefunction.o oscdft_wavefunction_subs.o oscdft_functions.o oscdft_occupations.o oscdft_wfcO.o oscdft_forces.o oscdft_forces_subs.o oscdft_extended.o d3hess_mod.o utils_gpu.o oscdft_functions_gpu.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libpw.a\na - a2fmod.o\na - add_bfield.o\na - add_efield.o\na - add_dmft_occ.o\na - add_vuspsi.o\na - add_vuspsi_acc.o\na - add_gatefield.o\na - add_paw_to_deeq.o\na - add_paw_to_deeq_acc.o\na - add_vhub_to_deeq.o\na - add_vhub_to_deeq_acc.o\na - addusdens.o\na - addusforce.o\na - addusstress.o\na - allocate_fft.o\na - allocate_locpot.o\na - allocate_wfc.o\na - atomic_rho.o\na - atomic_wfc.o\na - atomic_wfc_mod.o\na - average_pp.o\na - acfdt_in_pw.o\na - newd_acc.o\na - beef.o\na - bp_mod.o\na - bp_c_phase.o\na - bp_strings.o\na - buffers.o\na - c_bands.o\na - c_phase_field.o\na - orbm_kubo.o\na - cdiagh.o\na - clean_pw.o\na - close_files.o\na - commutator_Hx_psi.o\na - commutator_Vhubx_psi.o\na - compute_becsum.o\na - compute_deff.o\na - compute_dip.o\na - compute_rho.o\na - compute_qdipol.o\na - compute_qdipol_so.o\na - compute_ux.o\na - Coul_cut_2D.o\na - d_matrix.o\na - data_structure.o\na - diag_direct.o\na - divide_class.o\na - divide_class_so.o\na - divide_et_impera.o\na - rotate_wfc.o\na - run_driver.o\na - dynamics_module.o\na - efermig.o\na - efermit.o\na - electrons.o\na - environ_pw_module.o\na - eqvect.o\na - esm.o\na - esm_common_mod.o\na - esm_ewald_mod.o\na - esm_force_mod.o\na - esm_hartree_mod.o\na - esm_local_mod.o\na - esm_stres_mod.o\na - ewald.o\na - ewald_dipole.o\na - extfield.o\na - exx_base.o\na - exx.o\na - exx_std.o\na - exx_bp_utils.o\na - exx_bp.o\na - fcp_capacitance.o\na - fcp_dyn_calcavg.o\na - fcp_dyn_printavg.o\na - fcp_dynamics.o\na - fcp_hessian.o\na - fcp_input.o\na - fcp_module.o\na - fcp_relaxation.o\na - find_group.o\na - forces_bp_efield.o\na - force_cc.o\na - force_corr.o\na - force_ew.o\na - force_hub.o\na - force_lc.o\na - force_us.o\na - forces.o\na - g_psi.o\na - g_psi_mod.o\na - gcscf_input.o\na - gcscf_module.o\na - gen_at_dj.o\na - gen_at_dy.o\na - get_locals.o\na - gk_sort.o\na - gradcorr.o\na - gweights.o\na - g2_kin.o\na - hs_psi.o\na - hs_1psi.o\na - h_epsi_her_apply.o\na - h_epsi_her_set.o\na - h_psi.o\na - h_psi_meta.o\na - hinit0.o\na - hinit1.o\na - hubbard.o\na - init_ns.o\na - init_q_aeps.o\na - init_run.o\na - init_us_2.o\na - init_vloc.o\na - input.o\na - io_rho_xml.o\na - irreducible_BZ.o\na - iweights.o\na - intersite_V.o\na - init_nsg.o\na - start_k.o\na - kpoint_grid.o\na - lchk_tauxk.o\na - ldaU.o\na - make_pointlists.o\na - manypw.o\na - martyna_tuckerman.o\na - memory_report.o\na - mix_rho.o\na - move_ions.o\na - multable.o\na - n_plane_waves.o\na - new_ns.o\na - new_nsb.o\na - new_nsg.o\na - new_occ.o\na - ns_adj.o\na - non_scf.o\na - offset_atom_wfc.o\na - openfil.o\na - orthoatwfc.o\na - orthoUwfc.o\na - output_tau.o\na - para.o\na - paw_exx.o\na - paw_init.o\na - paw_onecenter.o\na - paw_symmetry.o\na - plugin_print_energies.o\na - plugin_scf_energy.o\na - plugin_scf_potential.o\na - plugin_init_ions.o\na - plugin_init_cell.o\na - plugin_init_potential.o\na - plugin_initbase.o\na - plugin_clean.o\na - plugin_check.o\na - plugin_clock.o\na - plugin_summary.o\na - plugin_initialization.o\na - plugin_ext_forces.o\na - plugin_int_forces.o\na - plugin_read_input.o\na - plus_u_full.o\na - potinit.o\na - print_clock_pw.o\na - print_ks_energies.o\na - printpot.o\na - punch.o\na - pw_restart_new.o\na - add_qexsd_step.o\na - pw_init_qexsd_input.o\na - pwcom.o\na - pw2blip.o\na - pw2casino.o\na - pw2casino_write.o\na - rdiagh.o\na - read_conf_from_file.o\na - read_file_new.o\na - realus.o\na - remove_atomic_rho.o\na - report_mag.o\na - restart_in_electrons.o\na - rho2zeta.o\na - rism_module.o\na - ruotaijk.o\na - run_pwscf.o\na - s_1psi.o\na - s_psi.o\na - save_in_cbands.o\na - save_in_electrons.o\na - scale_h.o\na - loc_scdm.o\na - loc_scdm_k.o\na - scf_mod.o\na - set_kplusq.o\na - set_kup_and_kdw.o\na - set_occupations.o\na - set_rhoc.o\na - set_spin_vars.o\na - set_vrs.o\na - setlocal.o\na - setup.o\na - scissor.o\na - sic.o\na - starting_scf_mod.o\na - stop_run.o\na - stres_cc.o\na - stres_ewa.o\na - stres_gradcorr.o\na - stres_har.o\na - stres_hub.o\na - stres_knl.o\na - stres_loc.o\na - stres_us.o\na - stres_nonloc_dft.o\na - stres_mgga.o\na - stress.o\na - struct_fact.o\na - sum_band.o\na - sumkg.o\na - sumkt.o\na - summary.o\na - symme.o\na - symm_base.o\na - symmetrize_at.o\na - tetra.o\na - transform_becsum_so.o\na - transform_becsum_nc.o\na - trnvecc.o\na - two_chem.o\na - update_pot.o\na - us_exx.o\na - usnldiag.o\na - v_hubbard.o\na - v_of_rho.o\na - vcsmd.o\na - vcsubs.o\na - vhpsi.o\na - vhpsi_U.o\na - vloc_psi_tg.o\na - vloc_psi_acc.o\na - utils.o\na - xdm_dispersion.o\na - wfcinit.o\na - write_ns.o\na - wsweight.o\na - weights.o\na - ortho_wfc.o\na - wannier_init.o\na - wannier_check.o\na - wannier_clean.o\na - wannier_occ.o\na - oscdft_input.o\na - oscdft_context.o\na - oscdft_base.o\na - oscdft_enums.o\na - oscdft_indices.o\na - oscdft_wavefunction.o\na - oscdft_wavefunction_subs.o\na - oscdft_functions.o\na - oscdft_occupations.o\na - oscdft_wfcO.o\na - oscdft_forces.o\na - oscdft_forces_subs.o\na - oscdft_extended.o\na - d3hess_mod.o\na - utils_gpu.o\na - oscdft_functions_gpu.o\nranlib libpw.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\nif test -d PW ; then \\\n( cd PW ; make all || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[2]: 'libpw.a' is up to date.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\n( cd src ; make all || exit 1 )\n( cd tools ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/tools'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c ev.f90 -o ev.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c kpoints.f90 -o kpoints.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c pwi2xsf.f90 -o pwi2xsf.o\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pwscf.f90 -o pwscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c ibrav2cell.f90 -o ibrav2cell.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pw.x \\\n pwscf.o libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c cell2ibrav.f90 -o cell2ibrav.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c scan_ibrav.f90 -o scan_ibrav.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c rism1d.f90 -o rism1d.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o kpoints.x \\\n\tkpoints.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pwi2xsf.x \\\n\tpwi2xsf.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ibrav2cell.x \\\n\tibrav2cell.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin; ln -fs ../PW/src/pw.x . ; \\\n ln -fs ../PW/src/pw.x dist.x ; ln -fs ../PW/src/pw.x manypw.x ; )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o cell2ibrav.x \\\n\tcell2ibrav.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/kpoints.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o scan_ibrav.x \\\n\tscan_ibrav.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/pwi2xsf.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o rism1d.x \\\n\trism1d.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/ibrav2cell.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ev.x \\\n\tev.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/cell2ibrav.x . )\n( cd ../../bin ; ln -fs ../PW/tools/scan_ibrav.x . )\n( cd ../../bin ; ln -fs ../PW/tools/ev.x . )\n( cd ../../bin ; ln -fs ../PW/tools/rism1d.x . )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/tools'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\ntest -d bin || mkdir bin\n( cd UtilXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libdevx || exit 1 )\n( cd FFTXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libmbd || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/devxlib/make_devx; then \\\nmkdir -p /kaggle/working/q-e-qe-7.6/devxlib/src ; \\\ncd /kaggle/working/q-e-qe-7.6/external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.6/make.inc ../; \\\n( make all && touch /kaggle/working/q-e-qe-7.6/devxlib/make_devx ) ; \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/devxlib/src/ ; fi\n( cd XClib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\n( cd src ; make all || exit 1 )\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/MBD/make_mbd; then \\\n mkdir /kaggle/working/q-e-qe-7.6/MBD; \\\n cd /kaggle/working/q-e-qe-7.6/external/mbd/src; \\\n export FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include \"; \\\n (make -f ../../mbd.make && touch /kaggle/working/q-e-qe-7.6/MBD/make_mbd); \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/MBD; fi\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\n( cd LAXlib ; make all || exit 1 )\n( cd upflib ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/LAXlib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/LAXlib'\n( cd KS_Solvers ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/upflib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/upflib'\n( cd Modules ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/Modules'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/Modules'\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\n( cd dft-d3 ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nif test -d Direct ; then \\\n ( cd Direct ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d PW ; then \\\n( cd PW ; make pwlibs || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[2]: 'libpw.a' is up to date.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd LR_Modules ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/LR_Modules'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lrcom.f90 -o lrcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c apply_dpot.f90 -o apply_dpot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c apply_dpot_mod.f90 -o apply_dpot_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c apply_trev.f90 -o apply_trev.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c addusldos.f90 -o addusldos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c adddvepsi_us.f90 -o adddvepsi_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c c_bands_ph.f90 -o c_bands_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c cgsolve_all.f90 -o cgsolve_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c ccgsolve_all.f90 -o ccgsolve_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c cg_psi.f90 -o cg_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c ccg_psi.f90 -o ccg_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c check_q_points_sym.f90 -o check_q_points_sym.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dfpt_type.f90 -o dfpt_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dynmat_sub.f90 -o dynmat_sub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dgradcorr.f90 -o dgradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dv_rVV10.f90 -o dv_rVV10.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dv_vdW_DF.f90 -o dv_vdW_DF.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c non_scf_ph.f90 -o non_scf_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_intq_nc.f90 -o set_intq_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_sym_mod.f90 -o lr_sym_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c sym_def.f90 -o sym_def.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c psymdvscf.f90 -o psymdvscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c symdvscf.f90 -o symdvscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c sym_dmag.f90 -o sym_dmag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c orthogonalize_omega.f90 -o orthogonalize_omega.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_nscf.f90 -o setup_nscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_dbecsum_nc.f90 -o set_dbecsum_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_int3_nc.f90 -o set_int3_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_kplusq_nc.f90 -o set_kplusq_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c smallgq.f90 -o smallgq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_dgc.f90 -o setup_dgc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c compute_vsgga.f90 -o compute_vsgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_dmuxc.f90 -o setup_dmuxc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_nbnd_occ.f90 -o setup_nbnd_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c sgam_lr.f90 -o sgam_lr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c star_q.f90 -o star_q.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setqmod.f90 -o setqmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c qdipol_cryst.f90 -o qdipol_cryst.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c mode_group.f90 -o mode_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c mix_pot.f90 -o mix_pot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_nc_mag.f90 -o lr_nc_mag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_restart.f90 -o lr_restart.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lanczos_nonhermitian.f90 -o lanczos_nonhermitian.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lanczos_pseudohermitian.f90 -o lanczos_pseudohermitian.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lanczos_pseudohermitian_c.f90 -o lanczos_pseudohermitian_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lanczos_nonhermitian_c.f90 -o lanczos_nonhermitian_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c qpoint.f90 -o qpoint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dnonloccorr.f90 -o dnonloccorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c adddvscf.f90 -o adddvscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c adddvhubscf.f90 -o adddvhubscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c addusdbec.f90 -o addusdbec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c addusdbec_nc.f90 -o addusdbec_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c cft_wave.f90 -o cft_wave.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c ch_psi_all.f90 -o ch_psi_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c ch_psi_all_complex.f90 -o ch_psi_all_complex.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c Coul_cut_2D_ph.f90 -o Coul_cut_2D_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dfpt_tetra_mod.f90 -o dfpt_tetra_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c incdrhoscf_mod.f90 -o incdrhoscf_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c h_prec.f90 -o h_prec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c h_prec_freq.f90 -o h_prec_freq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dv_of_drho.f90 -o dv_of_drho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c newdq.f90 -o newdq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c sym_dns.f90 -o sym_dns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_sm1_psi.f90 -o lr_sm1_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_addusddens.f90 -o lr_addusddens.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_small_group_of_q.f90 -o set_small_group_of_q.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_orthoUwfc.f90 -o lr_orthoUwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_dot.f90 -o lr_dot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_dot_magnons.f90 -o lr_dot_magnons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_sym_paw.f90 -o lr_sym_paw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c response_kernels.f90 -o response_kernels.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c efermi_shift.f90 -o efermi_shift.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c localdos.f90 -o localdos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c orthogonalize.f90 -o orthogonalize.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_alpha_pv.f90 -o setup_alpha_pv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_two_chem.f90 -o lr_two_chem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dnsq_scf.f90 -o dnsq_scf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c twochem_postproc_dfpt.f90 -o twochem_postproc_dfpt.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dfpt_kernels.f90 -o dfpt_kernels.o\nar ruv liblrmod.a adddvscf.o adddvhubscf.o addusdbec.o addusdbec_nc.o apply_dpot.o apply_dpot_mod.o apply_trev.o addusldos.o adddvepsi_us.o c_bands_ph.o cft_wave.o cgsolve_all.o ccgsolve_all.o cg_psi.o ccg_psi.o ch_psi_all.o ch_psi_all_complex.o Coul_cut_2D_ph.o check_q_points_sym.o dnsq_scf.o dfpt_tetra_mod.o dfpt_type.o dynmat_sub.o h_prec.o h_prec_freq.o incdrhoscf_mod.o dv_of_drho.o dgradcorr.o dnonloccorr.o dv_vdW_DF.o dv_rVV10.o newdq.o non_scf_ph.o set_intq_nc.o lr_sym_mod.o sym_def.o psymdvscf.o sym_dns.o symdvscf.o sym_dmag.o orthogonalize.o orthogonalize_omega.o setup_nscf.o set_dbecsum_nc.o set_int3_nc.o set_kplusq_nc.o smallgq.o lr_sm1_psi.o lr_addusddens.o localdos.o setup_dgc.o compute_vsgga.o setup_dmuxc.o setup_nbnd_occ.o setup_alpha_pv.o set_small_group_of_q.o sgam_lr.o star_q.o setqmod.o lr_orthoUwfc.o qdipol_cryst.o mode_group.o mix_pot.o lrcom.o qpoint.o lr_dot.o lr_dot_magnons.o lr_nc_mag.o lr_two_chem.o twochem_postproc_dfpt.o lr_sym_paw.o lr_restart.o lanczos_nonhermitian.o lanczos_pseudohermitian.o lanczos_pseudohermitian_c.o lanczos_nonhermitian_c.o response_kernels.o efermi_shift.o dfpt_kernels.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating liblrmod.a\na - adddvscf.o\na - adddvhubscf.o\na - addusdbec.o\na - addusdbec_nc.o\na - apply_dpot.o\na - apply_dpot_mod.o\na - apply_trev.o\na - addusldos.o\na - adddvepsi_us.o\na - c_bands_ph.o\na - cft_wave.o\na - cgsolve_all.o\na - ccgsolve_all.o\na - cg_psi.o\na - ccg_psi.o\na - ch_psi_all.o\na - ch_psi_all_complex.o\na - Coul_cut_2D_ph.o\na - check_q_points_sym.o\na - dnsq_scf.o\na - dfpt_tetra_mod.o\na - dfpt_type.o\na - dynmat_sub.o\na - h_prec.o\na - h_prec_freq.o\na - incdrhoscf_mod.o\na - dv_of_drho.o\na - dgradcorr.o\na - dnonloccorr.o\na - dv_vdW_DF.o\na - dv_rVV10.o\na - newdq.o\na - non_scf_ph.o\na - set_intq_nc.o\na - lr_sym_mod.o\na - sym_def.o\na - psymdvscf.o\na - sym_dns.o\na - symdvscf.o\na - sym_dmag.o\na - orthogonalize.o\na - orthogonalize_omega.o\na - setup_nscf.o\na - set_dbecsum_nc.o\na - set_int3_nc.o\na - set_kplusq_nc.o\na - smallgq.o\na - lr_sm1_psi.o\na - lr_addusddens.o\na - localdos.o\na - setup_dgc.o\na - compute_vsgga.o\na - setup_dmuxc.o\na - setup_nbnd_occ.o\na - setup_alpha_pv.o\na - set_small_group_of_q.o\na - sgam_lr.o\na - star_q.o\na - setqmod.o\na - lr_orthoUwfc.o\na - qdipol_cryst.o\na - mode_group.o\na - mix_pot.o\na - lrcom.o\na - qpoint.o\na - lr_dot.o\na - lr_dot_magnons.o\na - lr_nc_mag.o\na - lr_two_chem.o\na - twochem_postproc_dfpt.o\na - lr_sym_paw.o\na - lr_restart.o\na - lanczos_nonhermitian.o\na - lanczos_pseudohermitian.o\na - lanczos_pseudohermitian_c.o\na - lanczos_nonhermitian_c.o\na - response_kernels.o\na - efermi_shift.o\na - dfpt_kernels.o\nranlib liblrmod.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/LR_Modules'\nif test -d PHonon; then \\\n( cd PHonon; make phlibs || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon'\n( cd PH ; make phlibs || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c acfdtest.f90 -o acfdtest.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phcom.f90 -o phcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c add_for_charges.f90 -o add_for_charges.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c elph.f90 -o elph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ramanm.f90 -o ramanm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dfile_autoname.f90 -o dfile_autoname.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cch_psi_all.f90 -o cch_psi_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c check_restart_recover.f90 -o check_restart_recover.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c clinear.f90 -o clinear.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_alphasum.f90 -o compute_alphasum.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_becalp.f90 -o compute_becalp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_becsum_ph.f90 -o compute_becsum_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_drhous.f90 -o compute_drhous.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_drhous_nc.f90 -o compute_drhous_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_dvloc.f90 -o compute_dvloc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_nldyn.f90 -o compute_nldyn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_weight.f90 -o compute_weight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c deallocate_part.f90 -o deallocate_part.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c deallocate_phq.f90 -o deallocate_phq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2ionq.f90 -o d2ionq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2nsq_bare.f90 -o d2nsq_bare.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dnsq_bare.f90 -o dnsq_bare.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dnsq_orth_set_irr.f90 -o dnsq_orth_set_irr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dnsq_store.f90 -o dnsq_store.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c davcio_drho.f90 -o davcio_drho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c elph_scdft_mod.f90 -o elph_scdft_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c io_dyn_mat.f90 -o io_dyn_mat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c io_dyn_mat_old.f90 -o io_dyn_mat_old.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rigid.f90 -o rigid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drho.f90 -o drho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodv.f90 -o drhodv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodvloc.f90 -o drhodvloc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodvnl.f90 -o drhodvnl.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodvus.f90 -o drhodvus.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvanqq.f90 -o dvanqq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvkb3.f90 -o dvkb3.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvpsi_e.f90 -o dvpsi_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvqpsi_us.f90 -o dvqpsi_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvqpsi_us_only.f90 -o dvqpsi_us_only.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dyndia.f90 -o dyndia.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_us.f90 -o dynmat_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmatcc.f90 -o dynmatcc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_hub_bare.f90 -o dynmat_hub_bare.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_hub_scf.f90 -o dynmat_hub_scf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dwfc.f90 -o dwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvqhub_barepsi_us.f90 -o dvqhub_barepsi_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvqhub_barepsi_us2.f90 -o dvqhub_barepsi_us2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c delta_sphi.f90 -o delta_sphi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dpsi_orth.f90 -o dpsi_orth.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c el_ph_collect.f90 -o el_ph_collect.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c find_equiv_sites.f90 -o find_equiv_sites.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c find_mode_sym.f90 -o find_mode_sym.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c find_irrep.f90 -o find_irrep.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c generate_dynamical_matrix_c.f90 -o generate_dynamical_matrix_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c generate_effective_charges_c.f90 -o generate_effective_charges_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c gmressolve_all.f90 -o gmressolve_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c incdrhous.f90 -o incdrhous.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c incdrhous_nc.f90 -o incdrhous_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c initialize_ph.f90 -o initialize_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c io_pattern.f90 -o io_pattern.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c obsolete.f90 -o obsolete.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_hub.f90 -o write_hub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_init.f90 -o phq_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_summary.f90 -o phq_summary.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ph_set_upert.f90 -o ph_set_upert.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c prepare_sym_analysis.f90 -o prepare_sym_analysis.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c psidspsi.f90 -o psidspsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c punch_plot_e.f90 -o punch_plot_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q2qstar_ph.f90 -o q2qstar_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c random_matrix.f90 -o random_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rotate_and_add_dyn.f90 -o rotate_and_add_dyn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rotate_pattern_add.f90 -o rotate_pattern_add.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_asr_c.f90 -o set_asr_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_drhoc.f90 -o set_drhoc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_int12_nc.f90 -o set_int12_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_irr.f90 -o set_irr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_irr_nosym.f90 -o set_irr_nosym.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_irr_sym.f90 -o set_irr_sym.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c setlocq.f90 -o setlocq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e_fpol.f90 -o solve_e_fpol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c summarize.f90 -o summarize.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c symdyn_munu.f90 -o symdyn_munu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c symdynph_gq.f90 -o symdynph_gq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c symm.f90 -o symm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c symmorphic_or_nzb.f90 -o symmorphic_or_nzb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c swfc.f90 -o swfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c sym_dns_wrapper.f90 -o sym_dns_wrapper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c transform_int_so.f90 -o transform_int_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c transform_int_nc.f90 -o transform_int_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c transform_alphasum_nc.f90 -o transform_alphasum_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c transform_alphasum_so.f90 -o transform_alphasum_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c tra_write_matrix.f90 -o tra_write_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c trntnsc.f90 -o trntnsc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_eigenvectors.f90 -o write_eigenvectors.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_epsilon_and_zeu.f90 -o write_epsilon_and_zeu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_qplot_data.f90 -o write_qplot_data.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_matrix.f90 -o write_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_modes.f90 -o write_modes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c zstar_eu_us.f90 -o zstar_eu_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c psyme2.f90 -o psyme2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c chi_test.f90 -o chi_test.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dielec_test.f90 -o dielec_test.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvpsi_e2.f90 -o dvpsi_e2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c hdiag.f90 -o hdiag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c pcgreen.f90 -o pcgreen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c syme2.f90 -o syme2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e_nscf.f90 -o solve_e_nscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_ramtns.f90 -o write_ramtns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2mxc.f90 -o d2mxc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c raman_mat.f90 -o raman_mat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dhdrhopsi.f90 -o dhdrhopsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_dvscf.f90 -o set_dvscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c add_dkmds.f90 -o add_dkmds.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c add_zstar_ue.f90 -o add_zstar_ue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c add_zstar_ue_us.f90 -o add_zstar_ue_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c addcore.f90 -o addcore.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_nlcc.f90 -o dynmat_nlcc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c addnlcc_zstar_eu_us.f90 -o addnlcc_zstar_eu_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c addusddens_pulay.f90 -o addusddens_pulay.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c addusdynmat.f90 -o addusdynmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c allocate_part.f90 -o allocate_part.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c allocate_pert.f90 -o allocate_pert.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c allocate_phq.f90 -o allocate_phq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c yambo.f90 -o yambo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ahc.f90 -o ahc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvscf_interpolate.f90 -o dvscf_interpolate.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dfile_star.f90 -o dfile_star.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c elph_tetra_mod.f90 -o elph_tetra_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c check_if_partial_dyn.f90 -o check_if_partial_dyn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ph_restart.f90 -o ph_restart.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c save_ph_input.f90 -o save_ph_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dnsq_orth.f90 -o dnsq_orth.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c do_q2r.f90 -o do_q2r.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ep_matrix_element_wannier.f90 -o ep_matrix_element_wannier.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c openfilq.f90 -o openfilq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phescf.f90 -o phescf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_recover.f90 -o phq_recover.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c polariz.f90 -o polariz.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c print_clock_ph.f90 -o print_clock_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c prepare_q.f90 -o prepare_q.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q_points_wannier.f90 -o q_points_wannier.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c read_wfc_rspace_and_fwfft.f90 -o read_wfc_rspace_and_fwfft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rotate_dvscf_star.f90 -o rotate_dvscf_star.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c run_nscf.f90 -o run_nscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c stop_ph.f90 -o stop_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c sym_and_write_zue.f90 -o sym_and_write_zue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c zstar_eu.f90 -o zstar_eu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dump_drho.f90 -o dump_drho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c el_opt.f90 -o el_opt.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c raman.f90 -o raman.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c bcast_ph_input.f90 -o bcast_ph_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c check_initial_status.f90 -o check_initial_status.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c clean_pw_ph.f90 -o clean_pw_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_rec.f90 -o write_rec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2ionq_disp.f90 -o d2ionq_disp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dielec.f90 -o dielec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c do_phonon.f90 -o do_phonon.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat0.f90 -o dynmat0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmatrix.f90 -o dynmatrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c elphon.f90 -o elphon.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c init_representations.f90 -o init_representations.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_readin.f90 -o phq_readin.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_setup.f90 -o phq_setup.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phqscf.f90 -o phqscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q_points.f90 -o q_points.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e.f90 -o solve_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_linter.f90 -o solve_linter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e2.f90 -o solve_e2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c close_phq.f90 -o close_phq.o\nar ruv libph.a acfdtest.o add_dkmds.o add_for_charges.o add_zstar_ue.o add_zstar_ue_us.o addcore.o dynmat_nlcc.o addnlcc_zstar_eu_us.o addusddens_pulay.o addusdynmat.o allocate_part.o allocate_pert.o allocate_phq.o yambo.o ahc.o dvscf_interpolate.o bcast_ph_input.o cch_psi_all.o check_if_partial_dyn.o check_initial_status.o check_restart_recover.o clean_pw_ph.o clinear.o close_phq.o compute_alphasum.o compute_becalp.o compute_becsum_ph.o compute_drhous.o compute_drhous_nc.o compute_dvloc.o compute_nldyn.o compute_weight.o deallocate_part.o deallocate_phq.o d2ionq.o d2ionq_disp.o d2nsq_bare.o dnsq_bare.o dnsq_orth.o dnsq_orth_set_irr.o dnsq_store.o davcio_drho.o dfile_autoname.o dfile_star.o dielec.o do_phonon.o do_q2r.o drho.o drhodv.o drhodvloc.o drhodvnl.o drhodvus.o dvanqq.o dvkb3.o dvpsi_e.o dvqpsi_us.o dvqpsi_us_only.o dyndia.o dynmat0.o dynmat_us.o dynmatcc.o dynmatrix.o dynmat_hub_bare.o dynmat_hub_scf.o dwfc.o dvqhub_barepsi_us.o dvqhub_barepsi_us2.o delta_sphi.o dpsi_orth.o ep_matrix_element_wannier.o elph.o el_ph_collect.o elphon.o elph_scdft_mod.o elph_tetra_mod.o find_equiv_sites.o find_mode_sym.o find_irrep.o generate_dynamical_matrix_c.o generate_effective_charges_c.o gmressolve_all.o incdrhous.o incdrhous_nc.o initialize_ph.o init_representations.o io_dyn_mat.o io_dyn_mat_old.o io_pattern.o obsolete.o openfilq.o phcom.o ph_restart.o phescf.o phq_init.o phq_readin.o phq_recover.o phq_setup.o phq_summary.o phqscf.o ph_set_upert.o polariz.o print_clock_ph.o prepare_q.o prepare_sym_analysis.o psidspsi.o punch_plot_e.o q_points.o q_points_wannier.o q2qstar_ph.o random_matrix.o read_wfc_rspace_and_fwfft.o rigid.o rotate_dvscf_star.o rotate_and_add_dyn.o rotate_pattern_add.o run_nscf.o save_ph_input.o set_asr_c.o set_drhoc.o set_int12_nc.o set_irr.o set_irr_nosym.o set_irr_sym.o setlocq.o solve_e.o solve_e_fpol.o solve_linter.o stop_ph.o summarize.o sym_and_write_zue.o symdyn_munu.o symdynph_gq.o symm.o symmorphic_or_nzb.o swfc.o sym_dns_wrapper.o transform_int_so.o transform_int_nc.o transform_alphasum_nc.o transform_alphasum_so.o tra_write_matrix.o trntnsc.o write_eigenvectors.o write_epsilon_and_zeu.o write_qplot_data.o write_matrix.o write_modes.o write_rec.o write_hub.o zstar_eu.o zstar_eu_us.o dump_drho.o psyme2.o chi_test.o dielec_test.o dvpsi_e2.o el_opt.o hdiag.o pcgreen.o ramanm.o syme2.o solve_e2.o solve_e_nscf.o write_ramtns.o d2mxc.o raman_mat.o raman.o dhdrhopsi.o set_dvscf.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libph.a\na - acfdtest.o\na - add_dkmds.o\na - add_for_charges.o\na - add_zstar_ue.o\na - add_zstar_ue_us.o\na - addcore.o\na - dynmat_nlcc.o\na - addnlcc_zstar_eu_us.o\na - addusddens_pulay.o\na - addusdynmat.o\na - allocate_part.o\na - allocate_pert.o\na - allocate_phq.o\na - yambo.o\na - ahc.o\na - dvscf_interpolate.o\na - bcast_ph_input.o\na - cch_psi_all.o\na - check_if_partial_dyn.o\na - check_initial_status.o\na - check_restart_recover.o\na - clean_pw_ph.o\na - clinear.o\na - close_phq.o\na - compute_alphasum.o\na - compute_becalp.o\na - compute_becsum_ph.o\na - compute_drhous.o\na - compute_drhous_nc.o\na - compute_dvloc.o\na - compute_nldyn.o\na - compute_weight.o\na - deallocate_part.o\na - deallocate_phq.o\na - d2ionq.o\na - d2ionq_disp.o\na - d2nsq_bare.o\na - dnsq_bare.o\na - dnsq_orth.o\na - dnsq_orth_set_irr.o\na - dnsq_store.o\na - davcio_drho.o\na - dfile_autoname.o\na - dfile_star.o\na - dielec.o\na - do_phonon.o\na - do_q2r.o\na - drho.o\na - drhodv.o\na - drhodvloc.o\na - drhodvnl.o\na - drhodvus.o\na - dvanqq.o\na - dvkb3.o\na - dvpsi_e.o\na - dvqpsi_us.o\na - dvqpsi_us_only.o\na - dyndia.o\na - dynmat0.o\na - dynmat_us.o\na - dynmatcc.o\na - dynmatrix.o\na - dynmat_hub_bare.o\na - dynmat_hub_scf.o\na - dwfc.o\na - dvqhub_barepsi_us.o\na - dvqhub_barepsi_us2.o\na - delta_sphi.o\na - dpsi_orth.o\na - ep_matrix_element_wannier.o\na - elph.o\na - el_ph_collect.o\na - elphon.o\na - elph_scdft_mod.o\na - elph_tetra_mod.o\na - find_equiv_sites.o\na - find_mode_sym.o\na - find_irrep.o\na - generate_dynamical_matrix_c.o\na - generate_effective_charges_c.o\na - gmressolve_all.o\na - incdrhous.o\na - incdrhous_nc.o\na - initialize_ph.o\na - init_representations.o\na - io_dyn_mat.o\na - io_dyn_mat_old.o\na - io_pattern.o\na - obsolete.o\na - openfilq.o\na - phcom.o\na - ph_restart.o\na - phescf.o\na - phq_init.o\na - phq_readin.o\na - phq_recover.o\na - phq_setup.o\na - phq_summary.o\na - phqscf.o\na - ph_set_upert.o\na - polariz.o\na - print_clock_ph.o\na - prepare_q.o\na - prepare_sym_analysis.o\na - psidspsi.o\na - punch_plot_e.o\na - q_points.o\na - q_points_wannier.o\na - q2qstar_ph.o\na - random_matrix.o\na - read_wfc_rspace_and_fwfft.o\na - rigid.o\na - rotate_dvscf_star.o\na - rotate_and_add_dyn.o\na - rotate_pattern_add.o\na - run_nscf.o\na - save_ph_input.o\na - set_asr_c.o\na - set_drhoc.o\na - set_int12_nc.o\na - set_irr.o\na - set_irr_nosym.o\na - set_irr_sym.o\na - setlocq.o\na - solve_e.o\na - solve_e_fpol.o\na - solve_linter.o\na - stop_ph.o\na - summarize.o\na - sym_and_write_zue.o\na - symdyn_munu.o\na - symdynph_gq.o\na - symm.o\na - symmorphic_or_nzb.o\na - swfc.o\na - sym_dns_wrapper.o\na - transform_int_so.o\na - transform_int_nc.o\na - transform_alphasum_nc.o\na - transform_alphasum_so.o\na - tra_write_matrix.o\na - trntnsc.o\na - write_eigenvectors.o\na - write_epsilon_and_zeu.o\na - write_qplot_data.o\na - write_matrix.o\na - write_modes.o\na - write_rec.o\na - write_hub.o\na - zstar_eu.o\na - zstar_eu_us.o\na - dump_drho.o\na - psyme2.o\na - chi_test.o\na - dielec_test.o\na - dvpsi_e2.o\na - el_opt.o\na - hdiag.o\na - pcgreen.o\na - ramanm.o\na - syme2.o\na - solve_e2.o\na - solve_e_nscf.o\na - write_ramtns.o\na - d2mxc.o\na - raman_mat.o\na - raman.o\na - dhdrhopsi.o\na - set_dvscf.o\nranlib libph.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon'\nif test -d PHonon; then \\\n( cd PHonon; make all || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon'\n( cd PH ; make phlibs || exit 1 )\n( cd Gamma ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/Gamma'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cgcom.f90 -o cgcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cgsolve.f90 -o cgsolve.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2ion.f90 -o d2ion.o\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[2]: Nothing to be done for 'phlibs'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dgradcorr.f90 -o dgradcorr.o\n( cd PH ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phonon.f90 -o phonon.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat.f90 -o dynmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvb_cc.f90 -o dvb_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c matdyn.f90 -o matdyn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q2r.f90 -o q2r.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c lambda.f90 -o lambda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvpsi_e.f90 -o dvpsi_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvpsi_kb.f90 -o dvpsi_kb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dyndiar.f90 -o dyndiar.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c fqha.f90 -o fqha.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_init.f90 -o dynmat_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmatcc.f90 -o dynmatcc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q2qstar.f90 -o q2qstar.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c alpha2f.f90 -o alpha2f.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c epa.f90 -o epa.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c find_equiv_sites.f90 -o find_equiv_sites.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c generate_dynamical_matrix.f90 -o generate_dynamical_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c generate_effective_charges.f90 -o generate_effective_charges.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c h_h.f90 -o h_h.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c macro.f90 -o macro.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvscf_q2r.f90 -o dvscf_q2r.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c postahc.f90 -o postahc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rhod2vkb.f90 -o rhod2vkb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e.f90 -o solve_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_ph.f90 -o solve_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c writedyn.f90 -o writedyn.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ph.x phonon.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phcg.f90 -o phcg.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o dynmat.x dynmat.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/ph.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o q2r.x q2r.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c a_h.f90 -o a_h.o\n( cd ../../bin ; ln -fs ../PHonon/PH/dynmat.x . )\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cg_readin.f90 -o cg_readin.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o lambda.x lambda.o \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/q2r.x . )\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cg_setup.f90 -o cg_setup.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o fqha.x fqha.o \\\n ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o q2qstar.x q2qstar.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dielec.f90 -o dielec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodv.f90 -o drhodv.o\n( cd ../../bin ; ln -fs ../PHonon/PH/lambda.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o alpha2f.x alpha2f.o libph.a \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/fqha.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o epa.x epa.o libph.a \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nar ruv libphcg.a a_h.o cg_readin.o cg_setup.o cgcom.o cgsolve.o d2ion.o dgradcorr.o dielec.o drhodv.o dvb_cc.o dvpsi_e.o dvpsi_kb.o dyndiar.o dynmat_init.o dynmatcc.o find_equiv_sites.o generate_dynamical_matrix.o generate_effective_charges.o h_h.o macro.o rhod2vkb.o solve_e.o solve_ph.o writedyn.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libphcg.a\na - a_h.o\na - cg_readin.o\na - cg_setup.o\na - cgcom.o\na - cgsolve.o\na - d2ion.o\na - dgradcorr.o\na - dielec.o\na - drhodv.o\na - dvb_cc.o\na - dvpsi_e.o\na - dvpsi_kb.o\na - dyndiar.o\na - dynmat_init.o\na - dynmatcc.o\na - find_equiv_sites.o\na - generate_dynamical_matrix.o\na - generate_effective_charges.o\na - h_h.o\na - macro.o\na - rhod2vkb.o\na - solve_e.o\na - solve_ph.o\na - writedyn.o\nranlib libphcg.a\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o phcg.x \\\n\tphcg.o libphcg.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a ../../LR_Modules/liblrmod.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/q2qstar.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o dvscf_q2r.x dvscf_q2r.o libph.a \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/epa.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o postahc.x postahc.o \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/alpha2f.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o matdyn.x matdyn.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/Gamma/phcg.x . )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/Gamma'\n( cd ../../bin ; ln -fs ../PHonon/PH/dvscf_q2r.x . )\n( cd ../../bin ; ln -fs ../PHonon/PH/matdyn.x . )\n( cd ../../bin ; ln -fs ../PHonon/PH/postahc.x . )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon'\n","output_type":"stream"}],"execution_count":7},{"cell_type":"markdown","source":"Below code runs QE and the analysis.","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > run_qe.sh << 'EOF'\n#!/bin/bash\nexport CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\nexec /kaggle/working/q-e-qe-7.6/bin/pw.x -nb 4 -in input.in > output.out\nEOF\nchmod +x run_qe.sh\n\nmpirun --allow-run-as-root -np 2 \\\n --bind-to none \\\n ./run_qe.sh || true","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-10T08:04:44.904111Z","iopub.execute_input":"2026-08-10T08:04:44.905134Z","execution_failed":"2026-08-10T08:42:16.275Z"}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Check outputs for any errors(saves a lot of time compared to trying to use mpirun error codes)","metadata":{}},{"cell_type":"code","source":"!cat output.out","metadata":{"trusted":true,"execution":{"execution_failed":"2026-08-10T08:42:16.275Z"}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Runs D3hess.x to generate information for ph.x","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > run_qe.sh << 'EOF'\n#!/bin/bash\nexport CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\nexec /kaggle/working/q-e-qe-7.6/bin/d3hess.x -nb 4 -in d3hess.in > d3hess.out\nEOF\nchmod +x run_qe.sh\n\nmpirun --allow-run-as-root -np 2 \\\n --bind-to none \\\n ./run_qe.sh || true","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Runs phonon calculations once phonpy has made the supercells.","metadata":{}},{"cell_type":"code","source":"import glob\nimport os\nimport re\n\n# 1. Sort all supercell files numerically\nall_files = glob.glob('supercell-*.in')\nall_files.sort(key=lambda f: int(re.sub(r'\\D', '', f)))\n\n# 2. Filter list to stop at 90\ntarget_files = []\nfor f in all_files:\n match = re.search(r'-(\\d+)\\.', f)\n if match and int(match.group(1)) <= 90:\n target_files.append(f)\n\n# 3. Create the parallel worker script\n# Rank 0 processes indices 0, 2, 4... Rank 1 processes indices 1, 3, 5...\nwith open(\"run_parallel.sh\", \"w\") as f:\n f.write(\"#!/bin/bash\\n\")\n f.write(\"export CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\\n\")\n f.write(\"RANK=${OMPI_COMM_WORLD_LOCAL_RANK}\\n\")\n f.write(\"SIZE=${OMPI_COMM_WORLD_LOCAL_SIZE}\\n\")\n f.write(\"FILES=(\\\"$@\\\")\\n\\n\")\n \n f.write(\"for (( i=$RANK; i<${#FILES[@]}; i+=$SIZE )); do\\n\")\n f.write(\" IN_FILE=${FILES[$i]}\\n\")\n f.write(\" OUT_FILE=\\\"${IN_FILE%.in}.out\\\"\\n\")\n \n # Skip if output already exists and isn't empty\n f.write(\" if [ -s \\\"$OUT_FILE\\\" ]; then\\n\")\n f.write(\" echo \\\"Rank $RANK: Skipping $IN_FILE (already done)\\\"\\n\")\n f.write(\" continue\\n\")\n f.write(\" fi\\n\\n\")\n \n # Isolated work directory to prevent GPU scratch-file collisions\n f.write(\" WORKDIR=\\\"work_rank_${RANK}_idx_${i}\\\"\\n\")\n f.write(\" mkdir -p $WORKDIR && cp $IN_FILE $WORKDIR/in.in\\n\")\n \n f.write(\" echo \\\"Rank $RANK: Starting $IN_FILE on GPU $RANK\\\"\\n\")\n # Execute pw.x\n f.write(\" /kaggle/working/q-e-qe-7.6/bin/pw.x -in $WORKDIR/in.in > $OUT_FILE\\n\")\n \n f.write(\" rm -rf $WORKDIR\\n\")\n f.write(\"done\\n\")\n\n!chmod +x run_parallel.sh\n\n# 4. Launch the two workers\nfiles_str = \" \".join(target_files)\n!mpirun --allow-run-as-root -np 2 --bind-to none ./run_parallel.sh {files_str}","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"## 6.(Optional) In case .in files not present and only .xyz file available ","metadata":{}},{"cell_type":"markdown","source":"Run this if you have .in files and need ld1.x to run to create a .upf file.","metadata":{}},{"cell_type":"code","source":"'''!cd /kaggle/working/q-e-qe-7.6/bin\n!make ld1 -j2'''\n!cd /kaggle/input/datasets/pcsciprav/actinide-basis-set-rel/fully-relativistic-basis\n!../q-e-qe-7.2/bin/ld1.x < /kaggle/input/datasets/pcsciprav/actinide-basis-set-rel/fully-relativistic-basis/pu.in > pu.out\n# Change the .in and .out file names to match the input .in file name. Use the same .out name.","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Change the link to any pseudopotential file as an alternative to ld1.","metadata":{}},{"cell_type":"code","source":"!wget https://pseudopotentials.quantum-espresso.org/upf_files/V.pbe-spnl-kjpaw_psl.1.0.0.UPF\n#!wget https://pseudopotentials.quantum-espresso.org/upf_files/N.rel-pz-n-kjpaw_psl.1.0.0.UPF\n#!wget https://pseudopotentials.quantum-espresso.org/upf_files/F.rel-pbe-n-kjpaw_psl.0.1.UPF","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Run this snippet first and ensure persistence is set to files or variables and files.","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > relaxed.xyz << EOF\n37\nempty space\nN 12.1526494309 9.1674866038 10.4272563978\nN 11.4556314360 8.3476721009 9.3724563712\nN 10.4085781859 8.9452001098 8.5765180226\nO 10.2718526399 8.5017884604 7.4532391213\nO 9.7165347183 9.7856141721 9.1645407217\nC 12.4249924461 7.5512921343 8.6491909387\nN 12.3702088750 6.0774299018 9.0416975744\nF 12.3651994415 6.0966380513 10.4762292065\nF 11.0347403005 5.7357188652 8.7231338902\nN 13.6803020212 8.1067563575 9.0597910569\nN 14.9143945600 7.5915401914 8.5478214130\nO 14.8418348346 7.0599920707 7.4641294751\nO 15.8908227803 7.8059543669 9.2625250951\nC 13.6191085175 8.7986737271 10.3319536904\nN 14.4123982432 9.9862081067 10.2751810138\nN 15.1820962259 10.3904754986 11.4987542363\nO 15.3867765738 9.4574763928 12.2835028369\nO 15.5198099804 11.5399805161 11.5490879344\nN 14.0393168409 11.0094227759 9.4536088887\nN 14.3915092640 10.8151655952 8.1150041787\nN 15.8238564951 11.7189776386 7.7206688030\nO 16.2039464129 11.5410874101 6.6569448982\nO 16.2484003472 12.3177377991 8.7208363225\nC 13.3094948299 11.3213443707 7.3148945555\nO 13.3548076343 11.5872872584 6.1319814536\nN 12.1875870461 11.4251007934 8.1905011705\nN 11.0403487451 12.3402843540 7.8805557499\nO 10.6992813133 12.2754963153 6.6336760936\nO 10.5998662926 12.9372978941 8.7366123765\nC 12.6053676196 11.4456388964 9.5951713605\nN 11.9308304378 10.4873601424 10.4297571300\nN 11.2185731431 10.9876765605 11.6973738104\nO 11.1975901142 12.2190320519 11.7972567452\nO 10.7721324670 10.1342543880 12.3984061151\nH 12.2632373397 7.5632546198 7.5732547189\nH 13.9283703285 8.1927228731 11.1913993381\nH 12.4939621172 12.4291206357 10.0484672950\nEOF","metadata":{"trusted":true,"jupyter":{"source_hidden":true,"outputs_hidden":true},"collapsed":true},"outputs":[],"execution_count":null},{"cell_type":"code","source":"import os\nimport shutil\nimport requests\n\nPSEUDO_DIR = \"pseudo\"\nos.makedirs(PSEUDO_DIR, exist_ok=True)\nBASE_URL = \"https://pseudopotentials.quantum-espresso.org/upf_files/\"\n\nmanual_pseudos = {\n #'V': '/kaggle/working/q-e-qe-7.5/V.pbe-spnl-kjpaw_psl.1.0.0.UPF'\n}\n\nmasses = {\n 'U': 238.03,\n 'Pu': 244.06,\n 'Au': 196.966570,\n 'Fr': 223,\n 'Cs': 132.91,\n 'N': 14.007,\n 'Nd': 144.242,\n 'Tc': 97.907,\n 'As': 74.9216,\n 'O': 16,\n 'C': 12,\n 'Os': 190.23,\n 'Pt': 198.9705762,\n 'Hg': 200.59,\n 'F': 18.998\n}\n\nhubbard_u = {\n #'U': 3.0\n}\n\ndef find_pseudo(element):\n return [\n f\"{element}.pbe-spn-kjpaw_psl.1.0.0.UPF\",\n f\"{element}.pbe-n-kjpaw_psl.1.0.0.UPF\",\n f\"{element}.pbe-kjpaw_psl.1.0.0.UPF\",\n ]\n\ndef try_download(element):\n for name in find_pseudo(element):\n path = os.path.join(PSEUDO_DIR, name)\n\n if os.path.exists(path):\n print(f\"Using existing pseudo: {path}\")\n return name\n\n url = BASE_URL + name\n try:\n r = requests.get(url, timeout=30)\n if r.status_code == 200 and len(r.content) > 0:\n with open(path, \"wb\") as f:\n f.write(r.content)\n print(f\"Downloaded {name}\")\n return name\n except Exception as e:\n print(f\"Could not download {name}: {e}\")\n\n return None\n\ndef install_manual_pseudo(element):\n src = manual_pseudos[element]\n if not os.path.exists(src):\n raise FileNotFoundError(f\"Manual pseudopotential for {element} not found: {src}\")\n\n filename = os.path.basename(src)\n dst = os.path.join(PSEUDO_DIR, filename)\n\n if not os.path.exists(dst):\n shutil.copyfile(src, dst)\n print(f\"Copied manual pseudo for {element} to {dst}\")\n else:\n print(f\"Using existing copied pseudo for {element}: {dst}\")\n\n return filename\n\ndef download_pseudo(element):\n if element in manual_pseudos:\n return install_manual_pseudo(element)\n\n result = try_download(element)\n if result:\n return result\n\n raise Exception(f\"No pseudopotential found for {element}\")\n\ndef xyz_to_qe(xyz_file, output=\"input.in\"):\n with open(xyz_file, \"r\", encoding=\"utf-8\") as f:\n lines = f.readlines()\n\n nat = int(lines[0].strip())\n coords = lines[2:2 + nat]\n\n atoms = []\n species_ordered = []\n\n for line in coords:\n parts = line.split()\n if len(parts) < 4:\n raise ValueError(f\"Invalid XYZ line: {line!r}\")\n el, x, y, z = parts[:4]\n x = float(x) + 10.0\n y = float(y) + 10.0\n z = float(z) + 10.0\n atoms.append((el, x, y, z))\n if el not in species_ordered:\n species_ordered.append(el)\n\n pseudo_map = {}\n for el in species_ordered:\n pseudo_map[el] = download_pseudo(el)\n\n with open(output, \"w\", encoding=\"ascii\", newline=\"\\n\") as f:\n # CONTROL\n f.write(\"&CONTROL\\n\")\n f.write(\" calculation = 'relax'\\n\") # Either keep it as relax or scf\n f.write(\" restart_mode='restart'\\n\")\n f.write(\" pseudo_dir = './pseudo/'\\n\")\n f.write(\" outdir = './tmp/'\\n\")\n f.write(\" prefix = 'calc'\\n\")\n f.write(\" tprnfor = .true.\\n\") # Remove this and the line below if forces for phonons not needed\n f.write(\" tstress = .true.\\n\")\n f.write(\"/\\n\\n\")\n\n # SYSTEM\n f.write(\"&SYSTEM\\n\")\n f.write(f\" nat = {nat}\\n\")\n f.write(f\" ntyp = {len(species_ordered)}\\n\")\n f.write(\" ecutwfc = 45\\n\")\n #f.write(\" tot_charge = 1\\n\") #Remove comment if using charged body\n f.write(\" ecutrho = 360\\n\")\n f.write(\" nbnd = 112\\n\")\n f.write(\" input_dft = 'PBE'\\n\")\n f.write(\" occupations = 'fixed'\\n\")\n #f.write(\" smearing = 'gaussian'\\n\")\n #f.write(\" degauss = 0.005\\n\")\n f.write(\" vdw_corr = 'grimme-d3'\\n\")\n f.write(\" dftd3_version = 4\\n\")\n f.write(\" dftd3_threebody = .false.\\n\")\n f.write(\" assume_isolated = 'mt'\\n\")\n f.write(\" ibrav = 0\\n\")\n f.write(\" nosym = .true.\\n\")\n f.write(\" noinv = .true.\\n\")\n f.write(\" noncolin = .false.\\n\")\n f.write(\" lspinorb = .false.\\n\")\n f.write(\"/\\n\\n\")\n\n # ELECTRONS\n f.write(\"&ELECTRONS\\n\")\n f.write(\" conv_thr = 1.0d-8\\n\")\n f.write(\" mixing_beta = 0.3\\n\")\n f.write(\" mixing_mode = 'local-TF'\\n\")\n f.write(\" electron_maxstep = 250\\n\")\n f.write(\"/\\n\\n\")\n \n # IONS\n # Use only when running calculation = relax, otherwise comment it out. Change damp to bfgs if the system is fairly stable.\n f.write(\"&IONS\\n\")\n f.write(\" ion_dynamics = 'bfgs'\\n\")\n f.write(\" trust_radius_ini = 0.10\\n\") # Lower for unstable systems\n f.write(\" trust_radius_max = 0.20\\n\") # Lower for unstable systems\n #f.write(\" upscale = 0.5\\n\")\n f.write(\"/\\n\\n\")\n\n # ATOMIC_SPECIES\n f.write(\"ATOMIC_SPECIES\\n\")\n for el in species_ordered:\n mass = masses.get(el, 1.0)\n pseudo_filename = pseudo_map[el]\n f.write(f\"{el:>3} {mass:10.5f} {pseudo_filename}\\n\")\n \n # ATOMIC_POSITIONS\n f.write(\"\\nATOMIC_POSITIONS angstrom\\n\")\n for el, x, y, z in atoms:\n f.write(f\"{el:>3} {x} {y} {z}\\n\")\n \n # CELL PARAMETERS ANGSTROMS\n f.write(\"\\nCELL_PARAMETERS angstrom\\n\")\n f.write(\"20.0 0.0 0.0\\n\")\n f.write(\"0.0 20.0 0.0\\n\")\n f.write(\"0.0 0.0 20.0\\n\")\n\n # K_POINTS\n f.write(\"\\nK_POINTS gamma\\n\")\n #f.write(\"1 1 1 0 0 0\\n\")\n\n # HUBBARD\n has_hubbard = any(el in hubbard_u for el in species_ordered)\n if has_hubbard:\n f.write(\"\\nHUBBARD ortho-atomic\\n\")\n for el in species_ordered:\n if el in hubbard_u:\n f.write(f\"U {el}-5f {hubbard_u[el]}\\n\")\n\n print(f\"QE input ready: {output}\")\n print(\"Pseudopotentials used:\")\n for el in species_ordered:\n print(f\" {el} -> {pseudo_map[el]}\")\n\nxyz_to_qe(\"/kaggle/input/datasets/pcsciprav/personal-project-molecules/Molecules_screening/C2N22O16.xyz\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-10T07:27:02.500081Z","iopub.execute_input":"2026-08-10T07:27:02.500737Z","iopub.status.idle":"2026-08-10T07:27:08.952695Z","shell.execute_reply.started":"2026-08-10T07:27:02.500703Z","shell.execute_reply":"2026-08-10T07:27:08.951903Z"}},"outputs":[{"name":"stdout","text":"Downloaded N.pbe-n-kjpaw_psl.1.0.0.UPF\nDownloaded C.pbe-n-kjpaw_psl.1.0.0.UPF\nDownloaded O.pbe-n-kjpaw_psl.1.0.0.UPF\nQE input ready: input.in\nPseudopotentials used:\n N -> N.pbe-n-kjpaw_psl.1.0.0.UPF\n C -> C.pbe-n-kjpaw_psl.1.0.0.UPF\n O -> O.pbe-n-kjpaw_psl.1.0.0.UPF\n","output_type":"stream"}],"execution_count":9},{"cell_type":"code","source":"# make_d3hess.py\n\nprefix = \"calc\"\noutdir = \"./tmp/\"\nfilhess = f\"{prefix}.hess\"\nstep = 1.0e-3\n\nd3hess_input = f\"\"\"&INPUT\n prefix = '{prefix}',\n outdir = '{outdir}',\n filhess = '{filhess}',\n step = {step:.1e}\n/\n\"\"\"\n\nwith open(\"d3hess.in\", \"w\") as f:\n f.write(d3hess_input)\n\nprint(\"Created d3hess.in\")\nprint(d3hess_input)","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Clones input.in to the supercell.in for running parallel finite displacement phonons.","metadata":{}},{"cell_type":"code","source":"import glob\n\n# 1. Read your baseline file and split it in half around the coordinates\nwith open('input.in', 'r') as f:\n baseline_lines = f.readlines()\n\npre_positions = []\npost_positions = []\nis_positions_block = False\npassed_positions = False\n\n# These keywords tell the script when the position block ends\nqe_keywords = ['&CONTROL', '&SYSTEM', '&ELECTRONS', '&IONS', '&CELL', \n 'K_POINTS', 'CELL_PARAMETERS', 'ATOMIC_SPECIES']\n\nfor line in baseline_lines:\n line_upper = line.strip().upper()\n \n if line_upper.startswith('ATOMIC_POSITIONS'):\n is_positions_block = True\n continue\n \n if is_positions_block:\n if any(line_upper.startswith(kw) for kw in qe_keywords):\n is_positions_block = False\n passed_positions = True\n post_positions.append(line)\n continue\n \n if not is_positions_block:\n if not passed_positions:\n pre_positions.append(line)\n else:\n post_positions.append(line)\n\n# 2. Extract the nudged coordinates from Phonopy's files\nfor target_file in glob.glob('supercell-*.in'):\n with open(target_file, 'r') as f:\n target_lines = f.readlines()\n \n new_positions = []\n in_target_pos = False\n \n for line in target_lines:\n line_upper = line.strip().upper()\n \n if line_upper.startswith('ATOMIC_POSITIONS'):\n in_target_pos = True\n new_positions.append(line)\n continue\n \n if in_target_pos:\n if any(line_upper.startswith(kw) for kw in qe_keywords):\n break\n if line.strip(): # Keep the coordinate lines\n new_positions.append(line)\n\n # 3. Sandwich the new coordinates inside your original baseline settings\n if new_positions:\n with open(target_file, 'w') as f:\n f.writelines(pre_positions)\n f.write(\"\\n\")\n f.writelines(new_positions)\n f.write(\"\\n\")\n f.writelines(post_positions)\n print(f\"Successfully applied baseline settings to: {target_file}\")\n else:\n print(f\"Skipped: Could not find coordinates in {target_file}\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy-init -d --qe --dim=\"1 1 1\" -c input.in","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!rm -rf supercell-*.in\n!rm -rf supercell.in","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy --qe -f supercell-[0-9][0-9][0-9].out","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!touch mesh.conf\nwith open(\"mesh.conf\", \"w\") as f:\n f.write(\"ATOM_NAME = C N F O H\\n\")\n f.write(\"DIM = 1 1 1\\n\")\n f.write(\"MESH = 1 1 1\\n\")\n f.write(\"FORCE_SETS = READ\\n\")\n\nprint(\"mesh.conf has been created successfully.\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy --qe -c input.in -p mesh.conf","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!cat mesh.yaml","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Used to create molecular dynamics setup. Can be extremely sensitive.","metadata":{}},{"cell_type":"code","source":"def xyz_to_qe(xyz_file, output=\"input.in\", mode='cp'):\n with open(xyz_file, \"r\", encoding=\"utf-8\") as f:\n lines = f.readlines()\n\n nat = int(lines[0].strip())\n coords = lines[2:2 + nat]\n atoms = []\n species_ordered = []\n\n for line in coords:\n parts = line.split()\n el, x, y, z = parts[:4]\n atoms.append((el, float(x)+10.0, float(y)+10.0, float(z)+10.0))\n if el not in species_ordered: species_ordered.append(el)\n\n pseudo_map = {el: download_pseudo(el) for el in species_ordered}\n\n with open(output, \"w\", encoding=\"ascii\", newline=\"\\n\") as f:\n # --- 1. CONTROL ---\n # Stripped to the absolute bare minimums\n f.write(\"&CONTROL\\n\")\n f.write(\" calculation = 'cp',\\n\")\n f.write(\" restart_mode = 'from_scratch',\\n\")\n f.write(\" prefix = 'tesseract',\\n\")\n f.write(\" pseudo_dir = './pseudo/',\\n\")\n f.write(\" outdir = './tmp/',\\n\")\n f.write(\" dt = 5.0,\\n\")\n f.write(\" nstep = 500,\\n\")\n f.write(\" ndr = 51,\\n\")\n f.write(\" ndw = 51\\n\") # Removed TQR\n f.write(\"/\\n\\n\")\n\n # --- 2. SYSTEM ---\n f.write(\"&SYSTEM\\n\")\n f.write(f\" ibrav = 0, nat = {nat}, ntyp = {len(species_ordered)},\\n\")\n f.write(\" ecutwfc = 65.0,\\n\")\n f.write(\" ecutrho = 260.0,\\n\")\n f.write(\" input_dft = 'PBE',\\n\")\n f.write(\" nosym = .true.\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 3. ELECTRONS ---\n f.write(\"&ELECTRONS\\n\")\n f.write(\" electron_dynamics = 'damp',\\n\")\n f.write(\" electron_damping = 0.1,\\n\")\n f.write(\" emass = 400.0,\\n\")\n f.write(\" emass_cutoff = 2.5\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 4. IONS ---\n f.write(\"&IONS\\n\")\n f.write(\" ion_dynamics = 'none'\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 5. ATOMIC DATA ---\n f.write(\"ATOMIC_SPECIES\\n\")\n for el in species_ordered:\n f.write(f\"{el:>3} {masses.get(el, 1.0):10.5f} {pseudo_map[el]}\\n\")\n\n f.write(\"\\nATOMIC_POSITIONS angstrom\\n\")\n for el, x, y, z in atoms:\n f.write(f\"{el:>3} {x:12.8f} {y:12.8f} {z:12.8f}\\n\")\n \n f.write(\"\\nCELL_PARAMETERS angstrom\\n\")\n f.write(\"20.0 0.0 0.0\\n0.0 20.0 0.0\\n0.0 0.0 20.0\\n\")\n\n print(f\"✅ Clean CP Input ready: {output}\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"NASA CEA Propellant checker","metadata":{}},{"cell_type":"code","source":"from rocketcea.cea_obj import CEA_Obj\nfrom rocketcea import cea_obj\n\n# 1. Define your custom monopropellant card\n# Format: 'ChemicalFormula', Enthalpy(kJ/mol), Density(g/cc, optional)\n# Swap C12H12N12O12F2 with your EXACT atom counts from your QE file.\n# Swap -500.0 with your calculated Heat of Formation in kJ/mol.\n\ncard_str = \"\"\"\nfuel MyCustomPropellant C 12 H 6 N 14 O 10 F 2 wt=100.0\nh,kj/mol=-500.0 t(k)=298.15\n\"\"\"\n\n# 2. Inject it into RocketCEA's internal dictionary\ncea_obj.add_new_fuel('MyCustomPropellant', card_str)\n\n# 3. Create the CEA Object\n# For a monopropellant, we name it as the fuel, and just pick a dummy oxidizer (like LOX)\n# because we will set the Mixture Ratio to 0.0 anyway.\nispObj = CEA_Obj(oxName=\"LOX\", fuelName=\"MyCustomPropellant\")\n\n# 4. Pull the juicy metrics\n# Pc = Chamber Pressure (psia) -> 1000.0 is industry standard for screening\n# eps = Nozzle Expansion Area Ratio -> 40.0 is standard for vacuum screening\n# MR = Mixture Ratio -> MUST BE 0.0 for a monopropellant (it burns itself)\nPc = 1000.0\neps = 40.0\nMR = 0.0\n\n# This single function pulls Vacuum Isp, C-Star (characteristic velocity), and Combustion Temp\nIspVac, Cstar, Tcomb = ispObj.get_IvacCstrTc(Pc=Pc, MR=MR, eps=eps)\n\n# Grab the average Molecular Weight and Gamma (ratio of specific heats) of the chamber exhaust gases\n_, _, _, mw_exhaust, gamma = ispObj.get_IvacCstrTc_ChmMwGam(Pc=Pc, MR=MR, eps=eps)\n\n# 5. Print the payload\nprint(\"=================== PROPELLANT PERFORMANCE ===================\")\nprint(f\"Vacuum Isp : {IspVac:.2f} seconds\")\nprint(f\"Combustion Temp (Tc) : {Tcomb:.2f} Rankine ({(Tcomb - 459.67) * 5/9 + 273.15:.2f} K)\")\nprint(f\"C-Star (Velocity) : {Cstar:.2f} ft/s\")\nprint(f\"Exhaust Mol Weight : {mw_exhaust:.2f} g/mol\")\nprint(f\"Chamber Gamma : {gamma:.4f}\")\nprint(\"==============================================================\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null}]} \ No newline at end of file From a5b2174961f1d1b2ea6c7c05238b754b46f850e5 Mon Sep 17 00:00:00 2001 From: Pravin Carthic <56361904+pravincarthic@users.noreply.github.com> Date: Mon, 17 Aug 2026 22:01:39 +0530 Subject: [PATCH 3/4] Added full RocketCEA support --- Quantum_espresso_install_guide.ipynb | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Quantum_espresso_install_guide.ipynb b/Quantum_espresso_install_guide.ipynb index b3829b4..bbc5f1f 100644 --- a/Quantum_espresso_install_guide.ipynb +++ b/Quantum_espresso_install_guide.ipynb @@ -1 +1 @@ -{"metadata":{"kernelspec":{"language":"python","display_name":"Python 3","name":"python3"},"language_info":{"name":"python","version":"3.12.12","mimetype":"text/x-python","codemirror_mode":{"name":"ipython","version":3},"pygments_lexer":"ipython3","nbconvert_exporter":"python","file_extension":".py"},"kaggle":{"accelerator":"nvidiaTeslaT4","dataSources":[{"sourceType":"datasetVersion","sourceId":15490887,"datasetId":9910679,"databundleVersionId":16415605},{"sourceType":"datasetVersion","sourceId":15809101,"datasetId":10133874,"databundleVersionId":16756907},{"sourceType":"datasetVersion","sourceId":15664603,"datasetId":10029968,"databundleVersionId":16601428},{"sourceType":"datasetVersion","sourceId":15664593,"datasetId":10029958,"databundleVersionId":16601418},{"sourceType":"datasetVersion","sourceId":15660946,"datasetId":10027068,"databundleVersionId":16597549},{"sourceType":"datasetVersion","sourceId":15564737,"datasetId":9957915,"databundleVersionId":16495191},{"sourceType":"datasetVersion","sourceId":15654163,"datasetId":10022101,"databundleVersionId":16590329},{"sourceType":"datasetVersion","sourceId":16493551,"datasetId":10129077,"databundleVersionId":17495327}],"dockerImageVersionId":31329,"isInternetEnabled":true,"language":"python","sourceType":"notebook","isGpuEnabled":true}},"nbformat_minor":4,"nbformat":4,"cells":[{"cell_type":"markdown","source":"# Quantum ESPRESSO installation guide on Python for P100 GPU","metadata":{}},{"cell_type":"markdown","source":"## 1. Install Dependencies","metadata":{}},{"cell_type":"code","source":"%%bash\napt-get update\napt-get install -y build-essential wget \\\n libfftw3-dev libblas-dev liblapack-dev \\\n libscalapack-mpi-dev libopenmpi-dev openmpi-bin\napt-get install -y libxc-dev libxc9\npip install phonopy\npip install numpy scipy pyyaml matplotlib\npip install ase cclib","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-10T07:05:36.269616Z","iopub.execute_input":"2026-08-10T07:05:36.270330Z","iopub.status.idle":"2026-08-10T07:06:15.808874Z","shell.execute_reply.started":"2026-08-10T07:05:36.270302Z","shell.execute_reply":"2026-08-10T07:06:15.807938Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Get:1 https://cloud.r-project.org/bin/linux/ubuntu jammy-cran40/ InRelease [3,632 B]\nGet:2 https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64 InRelease [1,581 B]\nGet:3 https://cli.github.com/packages stable InRelease [3,917 B]\nGet:4 https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64 Packages [2,899 kB]\nGet:5 https://r2u.stat.illinois.edu/ubuntu jammy InRelease [6,555 B]\nGet:6 https://cloud.r-project.org/bin/linux/ubuntu jammy-cran40/ Packages [107 kB]\nGet:7 http://security.ubuntu.com/ubuntu jammy-security InRelease [129 kB]\nHit:8 http://archive.ubuntu.com/ubuntu jammy InRelease\nGet:9 https://cli.github.com/packages stable/main amd64 Packages [356 B]\nGet:10 http://archive.ubuntu.com/ubuntu jammy-updates InRelease [128 kB]\nGet:11 https://r2u.stat.illinois.edu/ubuntu jammy/main amd64 Packages [3,164 kB]\nGet:12 https://ppa.launchpadcontent.net/deadsnakes/ppa/ubuntu jammy InRelease [18.1 kB]\nHit:13 https://ppa.launchpadcontent.net/graphics-drivers/ppa/ubuntu jammy InRelease\nGet:14 https://r2u.stat.illinois.edu/ubuntu jammy/main all Packages [10.7 MB]\nHit:15 https://ppa.launchpadcontent.net/ubuntugis/ppa/ubuntu jammy InRelease\nGet:16 http://security.ubuntu.com/ubuntu jammy-security/multiverse amd64 Packages [84.1 kB]\nGet:17 https://ppa.launchpadcontent.net/deadsnakes/ppa/ubuntu jammy/main amd64 Packages [44.3 kB]\nGet:18 http://archive.ubuntu.com/ubuntu jammy-backports InRelease [127 kB]\nGet:19 http://security.ubuntu.com/ubuntu jammy-security/main amd64 Packages [4,190 kB]\nGet:20 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 Packages [1,616 kB]\nGet:21 http://security.ubuntu.com/ubuntu jammy-security/universe amd64 Packages [1,314 kB]\nGet:22 http://security.ubuntu.com/ubuntu jammy-security/restricted amd64 Packages [7,545 kB]\nGet:23 http://archive.ubuntu.com/ubuntu jammy-updates/main amd64 Packages [4,524 kB]\nGet:24 http://archive.ubuntu.com/ubuntu jammy-updates/restricted amd64 Packages [7,836 kB]\nGet:25 http://archive.ubuntu.com/ubuntu jammy-updates/multiverse amd64 Packages [92.7 kB]\nGet:26 http://archive.ubuntu.com/ubuntu jammy-backports/universe amd64 Packages [35.6 kB]\nGet:27 http://archive.ubuntu.com/ubuntu jammy-backports/main amd64 Packages [82.8 kB]\nFetched 44.7 MB in 4s (12.3 MB/s)\nReading package lists...\nReading package lists...\nBuilding dependency tree...\nReading state information...\nbuild-essential is already the newest version (12.9ubuntu3).\nliblapack-dev is already the newest version (3.10.0-2ubuntu1).\nlibopenmpi-dev is already the newest version (4.1.2-2ubuntu1).\nlibopenmpi-dev set to manually installed.\nlibscalapack-mpi-dev is already the newest version (2.1.0-4).\nlibscalapack-mpi-dev set to manually installed.\nopenmpi-bin is already the newest version (4.1.2-2ubuntu1).\nopenmpi-bin set to manually installed.\nThe following additional packages will be installed:\n libfftw3-bin libfftw3-long3 libfftw3-quad3 libfftw3-single3\nSuggested packages:\n liblapack-doc libfftw3-doc\nThe following NEW packages will be installed:\n libblas-dev libfftw3-bin libfftw3-dev libfftw3-long3 libfftw3-quad3\n libfftw3-single3\nThe following packages will be upgraded:\n wget\n1 upgraded, 6 newly installed, 0 to remove and 304 not upgraded.\nNeed to get 4,387 kB of archives.\nAfter this operation, 23.5 MB of additional disk space will be used.\nGet:1 http://archive.ubuntu.com/ubuntu jammy-updates/main amd64 wget amd64 1.21.2-2ubuntu1.4 [339 kB]\nGet:2 http://archive.ubuntu.com/ubuntu jammy/main amd64 libblas-dev amd64 3.10.0-2ubuntu1 [164 kB]\nGet:3 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-long3 amd64 3.3.8-2ubuntu8 [335 kB]\nGet:4 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-quad3 amd64 3.3.8-2ubuntu8 [614 kB]\nGet:5 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-single3 amd64 3.3.8-2ubuntu8 [800 kB]\nGet:6 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-bin amd64 3.3.8-2ubuntu8 [35.5 kB]\nGet:7 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-dev amd64 3.3.8-2ubuntu8 [2,101 kB]\nFetched 4,387 kB in 2s (2,417 kB/s)\n(Reading database ... 124626 files and directories currently installed.)\nPreparing to unpack .../0-wget_1.21.2-2ubuntu1.4_amd64.deb ...\nUnpacking wget (1.21.2-2ubuntu1.4) over (1.21.2-2ubuntu1.1) ...\nSelecting previously unselected package libblas-dev:amd64.\nPreparing to unpack .../1-libblas-dev_3.10.0-2ubuntu1_amd64.deb ...\nUnpacking libblas-dev:amd64 (3.10.0-2ubuntu1) ...\nSelecting previously unselected package libfftw3-long3:amd64.\nPreparing to unpack .../2-libfftw3-long3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-long3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-quad3:amd64.\nPreparing to unpack .../3-libfftw3-quad3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-quad3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-single3:amd64.\nPreparing to unpack .../4-libfftw3-single3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-single3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-bin.\nPreparing to unpack .../5-libfftw3-bin_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-bin (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-dev:amd64.\nPreparing to unpack .../6-libfftw3-dev_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-dev:amd64 (3.3.8-2ubuntu8) ...\nSetting up libfftw3-single3:amd64 (3.3.8-2ubuntu8) ...\nSetting up wget (1.21.2-2ubuntu1.4) ...\nSetting up libfftw3-long3:amd64 (3.3.8-2ubuntu8) ...\nSetting up libfftw3-quad3:amd64 (3.3.8-2ubuntu8) ...\nSetting up libblas-dev:amd64 (3.10.0-2ubuntu1) ...\nSetting up libfftw3-bin (3.3.8-2ubuntu8) ...\nSetting up libfftw3-dev:amd64 (3.3.8-2ubuntu8) ...\nProcessing triggers for man-db (2.10.2-1) ...\nProcessing triggers for libc-bin (2.35-0ubuntu3.8) ...\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_5.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero_v2.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_0.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_loader.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbb.so.12 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libumf.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm_debug.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_opencl.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc_proxy.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libhwloc.so.15 is not a symbolic link\n\nReading package lists...\nBuilding dependency tree...\nReading state information...\nThe following NEW packages will be installed:\n libxc-dev libxc9\n0 upgraded, 2 newly installed, 0 to remove and 304 not upgraded.\nNeed to get 11.9 MB of archives.\nAfter this operation, 41.2 MB of additional disk space will be used.\nGet:1 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libxc9 amd64 5.1.7-1ubuntu1 [3,900 kB]\nGet:2 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libxc-dev amd64 5.1.7-1ubuntu1 [8,038 kB]\nFetched 11.9 MB in 2s (5,863 kB/s)\nSelecting previously unselected package libxc9:amd64.\n(Reading database ... 124727 files and directories currently installed.)\nPreparing to unpack .../libxc9_5.1.7-1ubuntu1_amd64.deb ...\nUnpacking libxc9:amd64 (5.1.7-1ubuntu1) ...\nSelecting previously unselected package libxc-dev.\nPreparing to unpack .../libxc-dev_5.1.7-1ubuntu1_amd64.deb ...\nUnpacking libxc-dev (5.1.7-1ubuntu1) ...\nSetting up libxc9:amd64 (5.1.7-1ubuntu1) ...\nSetting up libxc-dev (5.1.7-1ubuntu1) ...\nProcessing triggers for libc-bin (2.35-0ubuntu3.8) ...\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_5.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero_v2.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_0.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_loader.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbb.so.12 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libumf.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm_debug.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_opencl.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc_proxy.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libhwloc.so.15 is not a symbolic link\n\nCollecting phonopy\n Downloading phonopy-4.4.0-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl.metadata (3.7 kB)\nRequirement already satisfied: numpy>=1.17.0 in /usr/local/lib/python3.12/dist-packages (from phonopy) (2.0.2)\nRequirement already satisfied: PyYAML>=5.3 in /usr/local/lib/python3.12/dist-packages (from phonopy) (6.0.3)\nRequirement already satisfied: matplotlib>=2.2.2 in /usr/local/lib/python3.12/dist-packages (from phonopy) (3.10.0)\nRequirement already satisfied: h5py>=3.0 in /usr/local/lib/python3.12/dist-packages (from phonopy) (3.15.1)\nCollecting spglib>=2.5 (from phonopy)\n Downloading spglib-2.7.0-cp312-cp312-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl.metadata (4.2 kB)\nCollecting symfc>=1.7 (from phonopy)\n Downloading symfc-1.7.3-py3-none-any.whl.metadata (2.1 kB)\nCollecting phonors>=0.3.0 (from phonopy)\n Downloading phonors-0.3.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (2.6 kB)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (1.4.9)\nRequirement already satisfied: packaging>=20.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (26.0)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=2.2.2->phonopy) (2.9.0.post0)\nRequirement already satisfied: typing-extensions>=4.9.0 in /usr/local/lib/python3.12/dist-packages (from spglib>=2.5->phonopy) (4.15.0)\nRequirement already satisfied: scipy!=1.11.0,!=1.11.1,!=1.11.2,!=1.17.0 in /usr/local/lib/python3.12/dist-packages (from symfc>=1.7->phonopy) (1.16.3)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib>=2.2.2->phonopy) (1.17.0)\nDownloading phonopy-4.4.0-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl (851 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 851.0/851.0 kB 19.7 MB/s eta 0:00:00\nDownloading phonors-0.3.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.5 MB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.5/1.5 MB 67.3 MB/s eta 0:00:00\nDownloading spglib-2.7.0-cp312-cp312-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl (962 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 962.5/962.5 kB 50.4 MB/s eta 0:00:00\nDownloading symfc-1.7.3-py3-none-any.whl (114 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 114.9/114.9 kB 9.8 MB/s eta 0:00:00\nInstalling collected packages: spglib, phonors, symfc, phonopy\nSuccessfully installed phonopy-4.4.0 phonors-0.3.0 spglib-2.7.0 symfc-1.7.3\nRequirement already satisfied: numpy in /usr/local/lib/python3.12/dist-packages (2.0.2)\nRequirement already satisfied: scipy in /usr/local/lib/python3.12/dist-packages (1.16.3)\nRequirement already satisfied: pyyaml in /usr/local/lib/python3.12/dist-packages (6.0.3)\nRequirement already satisfied: matplotlib in /usr/local/lib/python3.12/dist-packages (3.10.0)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (1.4.9)\nRequirement already satisfied: packaging>=20.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (26.0)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (2.9.0.post0)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib) (1.17.0)\nCollecting ase\n Downloading ase-3.29.0-py3-none-any.whl.metadata (4.4 kB)\nCollecting cclib\n Downloading cclib-1.8.1-py3-none-any.whl.metadata (4.7 kB)\nRequirement already satisfied: numpy>=1.21.6 in /usr/local/lib/python3.12/dist-packages (from ase) (2.0.2)\nRequirement already satisfied: scipy>=1.8.1 in /usr/local/lib/python3.12/dist-packages (from ase) (1.16.3)\nRequirement already satisfied: matplotlib>=3.5.2 in /usr/local/lib/python3.12/dist-packages (from ase) (3.10.0)\nRequirement already satisfied: typing_extensions>=4.13.1 in /usr/local/lib/python3.12/dist-packages (from ase) (4.15.0)\nRequirement already satisfied: packaging>=19.0 in /usr/local/lib/python3.12/dist-packages (from cclib) (26.0)\nCollecting periodictable (from cclib)\n Downloading periodictable-2.1.0-py3-none-any.whl.metadata (5.2 kB)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (1.4.9)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib>=3.5.2->ase) (2.9.0.post0)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib>=3.5.2->ase) (1.17.0)\nDownloading ase-3.29.0-py3-none-any.whl (3.0 MB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 3.0/3.0 MB 51.1 MB/s eta 0:00:00\nDownloading cclib-1.8.1-py3-none-any.whl (353 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 353.6/353.6 kB 27.9 MB/s eta 0:00:00\nDownloading periodictable-2.1.0-py3-none-any.whl (830 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 830.7/830.7 kB 48.9 MB/s eta 0:00:00\nInstalling collected packages: periodictable, cclib, ase\nSuccessfully installed ase-3.29.0 cclib-1.8.1 periodictable-2.1.0\n","output_type":"stream"},{"name":"stderr","text":"W: Skipping acquire of configured file 'main/source/Sources' as repository 'https://r2u.stat.illinois.edu/ubuntu jammy InRelease' does not seem to provide it (sources.list entry misspelt?)\n","output_type":"stream"}],"execution_count":1},{"cell_type":"markdown","source":"## 2. Download Quantum ESPRESSO and NVFORTRAN/NVHPC SDK","metadata":{}},{"cell_type":"markdown","source":"Will take ~15-17 GiB of output space, ensure there is enough storage","metadata":{}},{"cell_type":"code","source":"!cd \n!wget https://github.com/QEF/q-e/archive/refs/tags/qe-7.6.tar.gz\n!tar -xvf qe-7.6.tar.gz\n!rm -rf /kaggle/working/qe-7.6.tar.gz\n%cd q-e-qe-7.6","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-10T07:06:15.810385Z","iopub.execute_input":"2026-08-10T07:06:15.810632Z","iopub.status.idle":"2026-08-10T07:06:27.437376Z","shell.execute_reply.started":"2026-08-10T07:06:15.810607Z","shell.execute_reply":"2026-08-10T07:06:27.436581Z"}},"outputs":[{"name":"stdout","text":"--2026-08-10 07:06:15-- https://github.com/QEF/q-e/archive/refs/tags/qe-7.6.tar.gz\nResolving github.com (github.com)... 140.82.116.4\nConnecting to github.com (github.com)|140.82.116.4|:443... connected.\nHTTP request sent, awaiting response... 302 Found\nLocation: https://codeload.github.com/QEF/q-e/tar.gz/refs/tags/qe-7.6 [following]\n--2026-08-10 07:06:16-- https://codeload.github.com/QEF/q-e/tar.gz/refs/tags/qe-7.6\nResolving codeload.github.com (codeload.github.com)... 140.82.116.9\nConnecting to codeload.github.com (codeload.github.com)|140.82.116.9|:443... connected.\nHTTP request sent, awaiting response... 200 OK\nLength: unspecified [application/x-gzip]\nSaving to: ‘qe-7.6.tar.gz’\n\nqe-7.6.tar.gz [ <=> ] 83.63M 11.9MB/s in 8.4s \n\n2026-08-10 07:06:24 (10.0 MB/s) - ‘qe-7.6.tar.gz’ saved [87688909]\n\nq-e-qe-7.6/\nq-e-qe-7.6/.ci/\nq-e-qe-7.6/.ci/cineca.yml\nq-e-qe-7.6/.cmake-format\nq-e-qe-7.6/.editorconfig\nq-e-qe-7.6/.github/\nq-e-qe-7.6/.github/pull_request_template.md\nq-e-qe-7.6/.gitignore\nq-e-qe-7.6/.gitlab-ci-main.yml\nq-e-qe-7.6/.gitlab-ci-version-consistency.yml\nq-e-qe-7.6/.gitlab-ci.yml\nq-e-qe-7.6/.gitmodules\nq-e-qe-7.6/.travis.yml\nq-e-qe-7.6/CMakeLists.txt\nq-e-qe-7.6/CONTRIBUTING.md\nq-e-qe-7.6/COUPLE/\nq-e-qe-7.6/COUPLE/CMakeLists.txt\nq-e-qe-7.6/COUPLE/Makefile\nq-e-qe-7.6/COUPLE/README\nq-e-qe-7.6/COUPLE/examples/\nq-e-qe-7.6/COUPLE/examples/Makefile.gfortran\nq-e-qe-7.6/COUPLE/examples/Makefile.ifort\nq-e-qe-7.6/COUPLE/examples/README\nq-e-qe-7.6/COUPLE/examples/c2cp.cpp\nq-e-qe-7.6/COUPLE/examples/c2pw.cpp\nq-e-qe-7.6/COUPLE/examples/f2cp.f90\nq-e-qe-7.6/COUPLE/examples/f2pw.f90\nq-e-qe-7.6/COUPLE/include/\nq-e-qe-7.6/COUPLE/include/libqecouple.h\nq-e-qe-7.6/COUPLE/src/\nq-e-qe-7.6/COUPLE/src/Makefile\nq-e-qe-7.6/COUPLE/src/libcpv.f90\nq-e-qe-7.6/COUPLE/src/libpwscf.f90\nq-e-qe-7.6/COUPLE/src/libqemod.f90\nq-e-qe-7.6/COUPLE/tests/\nq-e-qe-7.6/COUPLE/tests/check-couple.j\nq-e-qe-7.6/COUPLE/tests/clean_all\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-0.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-16.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-2.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-4.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-0.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-16.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-2.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-4.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.in\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-0.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-16.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-2.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-4.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-0.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-16.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-2.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-4.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.in\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-0.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-16.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-2.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-4.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-0.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-16.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-2.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-4.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.in\nq-e-qe-7.6/CPV/\nq-e-qe-7.6/CPV/CMakeLists.txt\nq-e-qe-7.6/CPV/Doc/\nq-e-qe-7.6/CPV/Doc/INPUT_CP.def\nq-e-qe-7.6/CPV/Doc/INPUT_CPPP.def\nq-e-qe-7.6/CPV/Doc/INPUT_WFDD\nq-e-qe-7.6/CPV/Doc/Makefile\nq-e-qe-7.6/CPV/Doc/autopilot_guide.md\nq-e-qe-7.6/CPV/Doc/pandoc_template.html\nq-e-qe-7.6/CPV/Doc/pandoc_template.tex\nq-e-qe-7.6/CPV/Doc/tp.tex\nq-e-qe-7.6/CPV/Doc/user_guide.md\nq-e-qe-7.6/CPV/Ford.md\nq-e-qe-7.6/CPV/Ford/\nq-e-qe-7.6/CPV/Ford/index.md\nq-e-qe-7.6/CPV/Makefile\nq-e-qe-7.6/CPV/examples/\nq-e-qe-7.6/CPV/examples/EXX-wf-example/\nq-e-qe-7.6/CPV/examples/EXX-wf-example/01.input\nq-e-qe-7.6/CPV/examples/EXX-wf-example/01.out\nq-e-qe-7.6/CPV/examples/EXX-wf-example/02.input\nq-e-qe-7.6/CPV/examples/EXX-wf-example/02.out\nq-e-qe-7.6/CPV/examples/EXX-wf-example/H_HSCV_PBE-1.0.UPF\nq-e-qe-7.6/CPV/examples/EXX-wf-example/O_HSCV_PBE-1.0.UPF\nq-e-qe-7.6/CPV/examples/EXX-wf-example/README-Parallelization\nq-e-qe-7.6/CPV/examples/EXX-wf-example/README-example\nq-e-qe-7.6/CPV/examples/EXX-wf-example/example-job-script\nq-e-qe-7.6/CPV/examples/Extffield_example/\nq-e-qe-7.6/CPV/examples/Extffield_example/README\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.extffield\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.inp1\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.inp2\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.out1\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.out2\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/extffield.dat\nq-e-qe-7.6/CPV/examples/Extffield_example/run_example\nq-e-qe-7.6/CPV/examples/README\nq-e-qe-7.6/CPV/examples/Restart_example/\nq-e-qe-7.6/CPV/examples/Restart_example/README\nq-e-qe-7.6/CPV/examples/Restart_example/reference/\nq-e-qe-7.6/CPV/examples/Restart_example/reference/sio2.cp.restart.out\nq-e-qe-7.6/CPV/examples/Restart_example/reference/sio2.cp.start.out\nq-e-qe-7.6/CPV/examples/Restart_example/reference/sio2.pw.restart.out\nq-e-qe-7.6/CPV/examples/Restart_example/run_example\nq-e-qe-7.6/CPV/examples/autopilot-example/\nq-e-qe-7.6/CPV/examples/autopilot-example/reference/\nq-e-qe-7.6/CPV/examples/autopilot-example/reference/water.autopilot.out\nq-e-qe-7.6/CPV/examples/autopilot-example/run_example_water\nq-e-qe-7.6/CPV/examples/example01/\nq-e-qe-7.6/CPV/examples/example01/README\nq-e-qe-7.6/CPV/examples/example01/reference/\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.cp.restart.out\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.cp.start.out\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.vc-cp.out\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.vc-cp.restart.out\nq-e-qe-7.6/CPV/examples/example01/run_example\nq-e-qe-7.6/CPV/examples/example02/\nq-e-qe-7.6/CPV/examples/example02/README\nq-e-qe-7.6/CPV/examples/example02/reference/\nq-e-qe-7.6/CPV/examples/example02/reference/h2o-mol1.out\nq-e-qe-7.6/CPV/examples/example02/reference/h2o-mol2.out\nq-e-qe-7.6/CPV/examples/example02/reference/h2o-mol3.out\nq-e-qe-7.6/CPV/examples/example02/run_example\nq-e-qe-7.6/CPV/examples/example03/\nq-e-qe-7.6/CPV/examples/example03/README\nq-e-qe-7.6/CPV/examples/example03/reference/\nq-e-qe-7.6/CPV/examples/example03/reference/nh3.out\nq-e-qe-7.6/CPV/examples/example03/run_example\nq-e-qe-7.6/CPV/examples/example04/\nq-e-qe-7.6/CPV/examples/example04/README\nq-e-qe-7.6/CPV/examples/example04/reference/\nq-e-qe-7.6/CPV/examples/example04/reference/h2o-32.out\nq-e-qe-7.6/CPV/examples/example04/reference/h2o-64.out\nq-e-qe-7.6/CPV/examples/example04/run_example\nq-e-qe-7.6/CPV/examples/example05/\nq-e-qe-7.6/CPV/examples/example05/README\nq-e-qe-7.6/CPV/examples/example05/reference/\nq-e-qe-7.6/CPV/examples/example05/reference/h2o.efield.out\nq-e-qe-7.6/CPV/examples/example05/reference/h2o.wannier.out\nq-e-qe-7.6/CPV/examples/example05/run_example\nq-e-qe-7.6/CPV/examples/example06/\nq-e-qe-7.6/CPV/examples/example06/README\nq-e-qe-7.6/CPV/examples/example06/reference/\nq-e-qe-7.6/CPV/examples/example06/reference/h2o.scf.out\nq-e-qe-7.6/CPV/examples/example06/reference/h2o.wannier.out\nq-e-qe-7.6/CPV/examples/example06/run_example\nq-e-qe-7.6/CPV/examples/example07/\nq-e-qe-7.6/CPV/examples/example07/README\nq-e-qe-7.6/CPV/examples/example07/reference/\nq-e-qe-7.6/CPV/examples/example07/reference/c4h6.cp.metaGGA.out\nq-e-qe-7.6/CPV/examples/example07/reference/c4h6.pw.metaGGA.out\nq-e-qe-7.6/CPV/examples/example07/run_example\nq-e-qe-7.6/CPV/examples/example08/\nq-e-qe-7.6/CPV/examples/example08/README\nq-e-qe-7.6/CPV/examples/example08/reference/\nq-e-qe-7.6/CPV/examples/example08/reference/si2.ensemble-dyn.out\nq-e-qe-7.6/CPV/examples/example08/run_example\nq-e-qe-7.6/CPV/examples/example09/\nq-e-qe-7.6/CPV/examples/example09/README\nq-e-qe-7.6/CPV/examples/example09/reference/\nq-e-qe-7.6/CPV/examples/example09/reference/mgo.cp.cg.efield.out\nq-e-qe-7.6/CPV/examples/example09/reference/mgo.cp.cg.out\nq-e-qe-7.6/CPV/examples/example09/reference/mgo.cp.damp.efield.out\nq-e-qe-7.6/CPV/examples/example09/run_example\nq-e-qe-7.6/CPV/src/\nq-e-qe-7.6/CPV/src/Makefile\nq-e-qe-7.6/CPV/src/berryion.f90\nq-e-qe-7.6/CPV/src/bforceion.f90\nq-e-qe-7.6/CPV/src/cg.f90\nq-e-qe-7.6/CPV/src/cg_sub.f90\nq-e-qe-7.6/CPV/src/chargedensity.f90\nq-e-qe-7.6/CPV/src/cp_autopilot.f90\nq-e-qe-7.6/CPV/src/cp_control.f90\nq-e-qe-7.6/CPV/src/cp_emass.f90\nq-e-qe-7.6/CPV/src/cp_interfaces.f90\nq-e-qe-7.6/CPV/src/cp_restart_new.f90\nq-e-qe-7.6/CPV/src/cp_wavefunctions.f90\nq-e-qe-7.6/CPV/src/cplib.f90\nq-e-qe-7.6/CPV/src/cplib_meta.f90\nq-e-qe-7.6/CPV/src/cppp.f90\nq-e-qe-7.6/CPV/src/cpr.f90\nq-e-qe-7.6/CPV/src/cpr_loop.f90\nq-e-qe-7.6/CPV/src/cpr_mod.f90\nq-e-qe-7.6/CPV/src/cprstart.f90\nq-e-qe-7.6/CPV/src/dealloc.f90\nq-e-qe-7.6/CPV/src/dforceb.f90\nq-e-qe-7.6/CPV/src/efermi.f90\nq-e-qe-7.6/CPV/src/efield.f90\nq-e-qe-7.6/CPV/src/eigs0.f90\nq-e-qe-7.6/CPV/src/electrons.f90\nq-e-qe-7.6/CPV/src/electrons_nose.f90\nq-e-qe-7.6/CPV/src/energies.f90\nq-e-qe-7.6/CPV/src/ensemble_dft.f90\nq-e-qe-7.6/CPV/src/entropy.f90\nq-e-qe-7.6/CPV/src/environ_cp_module.f90\nq-e-qe-7.6/CPV/src/exch_corr.f90\nq-e-qe-7.6/CPV/src/exx_cg.f90\nq-e-qe-7.6/CPV/src/exx_es.f90\nq-e-qe-7.6/CPV/src/exx_gs.f90\nq-e-qe-7.6/CPV/src/exx_module.f90\nq-e-qe-7.6/CPV/src/exx_pair.f90\nq-e-qe-7.6/CPV/src/exx_psi.f90\nq-e-qe-7.6/CPV/src/exx_vofr.f90\nq-e-qe-7.6/CPV/src/forces.f90\nq-e-qe-7.6/CPV/src/fromscra.f90\nq-e-qe-7.6/CPV/src/gram.f90\nq-e-qe-7.6/CPV/src/gtable.f90\nq-e-qe-7.6/CPV/src/init.f90\nq-e-qe-7.6/CPV/src/init_run.f90\nq-e-qe-7.6/CPV/src/inner_loop_cold.f90\nq-e-qe-7.6/CPV/src/input.f90\nq-e-qe-7.6/CPV/src/ions_positions.f90\nq-e-qe-7.6/CPV/src/ksstates.f90\nq-e-qe-7.6/CPV/src/ldaU.f90\nq-e-qe-7.6/CPV/src/ldaU_cp.f90\nq-e-qe-7.6/CPV/src/ldaUpen.f90\nq-e-qe-7.6/CPV/src/mainvar.f90\nq-e-qe-7.6/CPV/src/manycp.f90\nq-e-qe-7.6/CPV/src/metaxc.f90\nq-e-qe-7.6/CPV/src/modules.f90\nq-e-qe-7.6/CPV/src/move_electrons.f90\nq-e-qe-7.6/CPV/src/newd.f90\nq-e-qe-7.6/CPV/src/nl_base.f90\nq-e-qe-7.6/CPV/src/nlcc.f90\nq-e-qe-7.6/CPV/src/ortho.f90\nq-e-qe-7.6/CPV/src/ortho_base.f90\nq-e-qe-7.6/CPV/src/phasefactor.f90\nq-e-qe-7.6/CPV/src/plugin_add_potential.f90\nq-e-qe-7.6/CPV/src/plugin_clean.f90\nq-e-qe-7.6/CPV/src/plugin_clock.f90\nq-e-qe-7.6/CPV/src/plugin_energy.f90\nq-e-qe-7.6/CPV/src/plugin_ext_forces.f90\nq-e-qe-7.6/CPV/src/plugin_get_potential.f90\nq-e-qe-7.6/CPV/src/plugin_init_base.f90\nq-e-qe-7.6/CPV/src/plugin_init_cell.f90\nq-e-qe-7.6/CPV/src/plugin_init_ions.f90\nq-e-qe-7.6/CPV/src/plugin_initialization.f90\nq-e-qe-7.6/CPV/src/plugin_int_forces.f90\nq-e-qe-7.6/CPV/src/plugin_print_energies.f90\nq-e-qe-7.6/CPV/src/plugin_print_info.f90\nq-e-qe-7.6/CPV/src/plugin_read_input.f90\nq-e-qe-7.6/CPV/src/plugin_utilities.f90\nq-e-qe-7.6/CPV/src/potentials.f90\nq-e-qe-7.6/CPV/src/pres_ai_mod.f90\nq-e-qe-7.6/CPV/src/print_out.f90\nq-e-qe-7.6/CPV/src/problem_size.f90\nq-e-qe-7.6/CPV/src/pseudo_base.f90\nq-e-qe-7.6/CPV/src/pseudopot.f90\nq-e-qe-7.6/CPV/src/pseudopot_sub.f90\nq-e-qe-7.6/CPV/src/qmatrixd.f90\nq-e-qe-7.6/CPV/src/qqberry.f90\nq-e-qe-7.6/CPV/src/restart.f90\nq-e-qe-7.6/CPV/src/restart_sub.f90\nq-e-qe-7.6/CPV/src/runcp.f90\nq-e-qe-7.6/CPV/src/sic.f90\nq-e-qe-7.6/CPV/src/smallbox.f90\nq-e-qe-7.6/CPV/src/smallbox_grid.f90\nq-e-qe-7.6/CPV/src/smallbox_gvec.f90\nq-e-qe-7.6/CPV/src/smallbox_lib.f90\nq-e-qe-7.6/CPV/src/smallbox_subs.f90\nq-e-qe-7.6/CPV/src/spinsq.f90\nq-e-qe-7.6/CPV/src/spline.f90\nq-e-qe-7.6/CPV/src/stop_run.f90\nq-e-qe-7.6/CPV/src/stress.f90\nq-e-qe-7.6/CPV/src/vofrho.f90\nq-e-qe-7.6/CPV/src/vol_clu.f90\nq-e-qe-7.6/CPV/src/wannier.f90\nq-e-qe-7.6/CPV/src/wannier_base.f90\nq-e-qe-7.6/CPV/src/wave.f90\nq-e-qe-7.6/CPV/src/wave_base.f90\nq-e-qe-7.6/CPV/src/wave_types.f90\nq-e-qe-7.6/CPV/src/wf.f90\nq-e-qe-7.6/CPV/src/wfdd.f90\nq-e-qe-7.6/Doc/\nq-e-qe-7.6/Doc/CMakeLists.txt\nq-e-qe-7.6/Doc/ChangeLog.cp\nq-e-qe-7.6/Doc/ChangeLog.old\nq-e-qe-7.6/Doc/ChangeLog.pw\nq-e-qe-7.6/Doc/ExternalForceFields.tex\nq-e-qe-7.6/Doc/Hubbard_input.tex\nq-e-qe-7.6/Doc/Makefile\nq-e-qe-7.6/Doc/README\nq-e-qe-7.6/Doc/brillouin_zones.tex\nq-e-qe-7.6/Doc/constraints_HOWTO.tex\nq-e-qe-7.6/Doc/html.sty\nq-e-qe-7.6/Doc/images/\nq-e-qe-7.6/Doc/images/bcc_bi.png\nq-e-qe-7.6/Doc/images/bco_1.png\nq-e-qe-7.6/Doc/images/bco_2.png\nq-e-qe-7.6/Doc/images/bco_3.png\nq-e-qe-7.6/Doc/images/bco_4.png\nq-e-qe-7.6/Doc/images/bco_5.png\nq-e-qe-7.6/Doc/images/bco_6.png\nq-e-qe-7.6/Doc/images/cubic_bi.png\nq-e-qe-7.6/Doc/images/fcc_bi.png\nq-e-qe-7.6/Doc/images/fcc_sc.png\nq-e-qe-7.6/Doc/images/hex.png\nq-e-qe-7.6/Doc/images/monob.png\nq-e-qe-7.6/Doc/images/monoc.png\nq-e-qe-7.6/Doc/images/ofc_1.png\nq-e-qe-7.6/Doc/images/ofc_10.png\nq-e-qe-7.6/Doc/images/ofc_11.png\nq-e-qe-7.6/Doc/images/ofc_12.png\nq-e-qe-7.6/Doc/images/ofc_13.png\nq-e-qe-7.6/Doc/images/ofc_14.png\nq-e-qe-7.6/Doc/images/ofc_15.png\nq-e-qe-7.6/Doc/images/ofc_16.png\nq-e-qe-7.6/Doc/images/ofc_17.png\nq-e-qe-7.6/Doc/images/ofc_18.png\nq-e-qe-7.6/Doc/images/ofc_2.png\nq-e-qe-7.6/Doc/images/ofc_3.png\nq-e-qe-7.6/Doc/images/ofc_4.png\nq-e-qe-7.6/Doc/images/ofc_5.png\nq-e-qe-7.6/Doc/images/ofc_6.png\nq-e-qe-7.6/Doc/images/ofc_7.png\nq-e-qe-7.6/Doc/images/ofc_8.png\nq-e-qe-7.6/Doc/images/ofc_9.png\nq-e-qe-7.6/Doc/images/ofco_1.png\nq-e-qe-7.6/Doc/images/ofco_2.png\nq-e-qe-7.6/Doc/images/so.png\nq-e-qe-7.6/Doc/images/st.png\nq-e-qe-7.6/Doc/images/stc1.png\nq-e-qe-7.6/Doc/images/stc2.png\nq-e-qe-7.6/Doc/images/stc2_sc.png\nq-e-qe-7.6/Doc/images/tri_1.png\nq-e-qe-7.6/Doc/images/tri_2.png\nq-e-qe-7.6/Doc/pic/\nq-e-qe-7.6/Doc/pic/hh_fes.pdf\nq-e-qe-7.6/Doc/pic/sn2_fes.pdf\nq-e-qe-7.6/Doc/pic/sn2_reaction.pdf\nq-e-qe-7.6/Doc/pic/sn2cv.pdf\nq-e-qe-7.6/Doc/pic/sn2cvs.pdf\nq-e-qe-7.6/Doc/plumed_quick_ref.tex\nq-e-qe-7.6/Doc/quantum_espresso.png\nq-e-qe-7.6/Doc/quote.tex\nq-e-qe-7.6/Doc/release-notes\nq-e-qe-7.6/Doc/user_guide.tex\nq-e-qe-7.6/EPW/\nq-e-qe-7.6/EPW/.dependencies\nq-e-qe-7.6/EPW/CMakeLists.txt\nq-e-qe-7.6/EPW/License\nq-e-qe-7.6/EPW/Makefile\nq-e-qe-7.6/EPW/README\nq-e-qe-7.6/EPW/ZG/\nq-e-qe-7.6/EPW/ZG/README\nq-e-qe-7.6/EPW/ZG/src/\nq-e-qe-7.6/EPW/ZG/src/Makefile\nq-e-qe-7.6/EPW/ZG/src/ZG.f90\nq-e-qe-7.6/EPW/ZG/src/bands_unfold.f90\nq-e-qe-7.6/EPW/ZG/src/disca.f90\nq-e-qe-7.6/EPW/ZG/src/epsilon_Gaus.f90\nq-e-qe-7.6/EPW/ZG/src/local/\nq-e-qe-7.6/EPW/ZG/src/local/JDOS.sh\nq-e-qe-7.6/EPW/ZG/src/local/JDOS_Gaus.f90\nq-e-qe-7.6/EPW/ZG/src/local/commands_bands.sh\nq-e-qe-7.6/EPW/ZG/src/local/compile_gfortran.sh\nq-e-qe-7.6/EPW/ZG/src/local/compile_ifort.sh\nq-e-qe-7.6/EPW/ZG/src/local/create_qlist.f90\nq-e-qe-7.6/EPW/ZG/src/local/epsi_av.sh\nq-e-qe-7.6/EPW/ZG/src/local/kpoints_band_str_unfold.f90\nq-e-qe-7.6/EPW/ZG/src/local/merge_bands.sh\nq-e-qe-7.6/EPW/ZG/src/local/merge_files.sh\nq-e-qe-7.6/EPW/ZG/src/local/rotate.f90\nq-e-qe-7.6/EPW/ZG/src/pp_disca.f90\nq-e-qe-7.6/EPW/ZG/src/pp_spctrlfn.f90\nq-e-qe-7.6/EPW/ZG/tutorial.tar.gz\nq-e-qe-7.6/EPW/bin/\nq-e-qe-7.6/EPW/bin/allocate.py\nq-e-qe-7.6/EPW/bin/pp-xml-depreciated.py\nq-e-qe-7.6/EPW/bin/pp.py\nq-e-qe-7.6/EPW/doc/\nq-e-qe-7.6/EPW/doc/Ford/\nq-e-qe-7.6/EPW/doc/Ford/index.md\nq-e-qe-7.6/EPW/doc/graveyard.txt\nq-e-qe-7.6/EPW/epw.md\nq-e-qe-7.6/EPW/examples/\nq-e-qe-7.6/EPW/examples/diamond/\nq-e-qe-7.6/EPW/examples/diamond/epw/\nq-e-qe-7.6/EPW/examples/diamond/epw/epw.in\nq-e-qe-7.6/EPW/examples/diamond/epw/epw2.in\nq-e-qe-7.6/EPW/examples/diamond/epw/epw3.in\nq-e-qe-7.6/EPW/examples/diamond/epw/epw4.in\nq-e-qe-7.6/EPW/examples/diamond/epw/meshes/\nq-e-qe-7.6/EPW/examples/diamond/epw/meshes/kgen.py\nq-e-qe-7.6/EPW/examples/diamond/epw/meshes/path.dat\nq-e-qe-7.6/EPW/examples/diamond/epw/nscf.in\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.H\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.P\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.dynmat\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.epmat_wanep\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.epwane\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/diam.wout\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/epw.out\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/epw2.out\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/lifetime.phself_34\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/linewidth.elself_50\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/linewidth.phself_50\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/nscf.out\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/scf.out\nq-e-qe-7.6/EPW/examples/diamond/epw/scf.in\nq-e-qe-7.6/EPW/examples/diamond/phonons/\nq-e-qe-7.6/EPW/examples/diamond/phonons/Ref/\nq-e-qe-7.6/EPW/examples/diamond/phonons/Ref/ph.out\nq-e-qe-7.6/EPW/examples/diamond/phonons/Ref/scf.out\nq-e-qe-7.6/EPW/examples/diamond/phonons/ph.in\nq-e-qe-7.6/EPW/examples/diamond/phonons/pp.py\nq-e-qe-7.6/EPW/examples/diamond/phonons/scf.in\nq-e-qe-7.6/EPW/examples/diamond/pp/\nq-e-qe-7.6/EPW/examples/diamond/pp/C_3.98148.UPF\nq-e-qe-7.6/EPW/examples/gan/\nq-e-qe-7.6/EPW/examples/gan/epw/\nq-e-qe-7.6/EPW/examples/gan/epw/epw.in\nq-e-qe-7.6/EPW/examples/gan/epw/gan_band.qpt\nq-e-qe-7.6/EPW/examples/gan/epw/nscf.in\nq-e-qe-7.6/EPW/examples/gan/epw/scf.in\nq-e-qe-7.6/EPW/examples/gan/phonons/\nq-e-qe-7.6/EPW/examples/gan/phonons/ph.in\nq-e-qe-7.6/EPW/examples/gan/phonons/pp.py\nq-e-qe-7.6/EPW/examples/gan/phonons/scf.in\nq-e-qe-7.6/EPW/examples/gan/pp/\nq-e-qe-7.6/EPW/examples/gan/pp/Ga_ONCV_LDA-1.0.upf\nq-e-qe-7.6/EPW/examples/gan/pp/N_ONCV_LDA-1.0.upf\nq-e-qe-7.6/EPW/examples/lif_elpa/\nq-e-qe-7.6/EPW/examples/lif_elpa/README.txt\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/clean.sh\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/epw1.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/epw2.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/epw3.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/nscf.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/run.sh\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/scf.in\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/ph.in\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/run.sh\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/scf.in\nq-e-qe-7.6/EPW/examples/lif_elpa/pseudo/\nq-e-qe-7.6/EPW/examples/lif_elpa/pseudo/F.upf\nq-e-qe-7.6/EPW/examples/lif_elpa/pseudo/Li.upf\nq-e-qe-7.6/EPW/examples/lif_g/\nq-e-qe-7.6/EPW/examples/lif_g/README.txt\nq-e-qe-7.6/EPW/examples/lif_g/check_g.sh\nq-e-qe-7.6/EPW/examples/lif_g/epw/\nq-e-qe-7.6/EPW/examples/lif_g/epw/clean.sh\nq-e-qe-7.6/EPW/examples/lif_g/epw/epw1.in\nq-e-qe-7.6/EPW/examples/lif_g/epw/kpoints.dat\nq-e-qe-7.6/EPW/examples/lif_g/epw/nscf.in\nq-e-qe-7.6/EPW/examples/lif_g/epw/ph.in\nq-e-qe-7.6/EPW/examples/lif_g/epw/qpoints.dat\nq-e-qe-7.6/EPW/examples/lif_g/epw/run.sh\nq-e-qe-7.6/EPW/examples/lif_g/epw/scf.in\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/clean.sh\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/ph.in\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/run.sh\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/scf.in\nq-e-qe-7.6/EPW/examples/lif_g/pseudo/\nq-e-qe-7.6/EPW/examples/lif_g/pseudo/F.upf\nq-e-qe-7.6/EPW/examples/lif_g/pseudo/Li.upf\nq-e-qe-7.6/EPW/examples/lif_hdf5/\nq-e-qe-7.6/EPW/examples/lif_hdf5/11-epsilon/\nq-e-qe-7.6/EPW/examples/lif_hdf5/11-epsilon/epsilon.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/11-epsilon/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/12-sigma/\nq-e-qe-7.6/EPW/examples/lif_hdf5/12-sigma/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/12-sigma/sigma.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/13-kernel/\nq-e-qe-7.6/EPW/examples/lif_hdf5/13-kernel/kernel.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/13-kernel/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/absorption.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/plotxct.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/summarize_eigenvectors.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/README.txt\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/epw1.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/epw2.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/epw3.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/path.kpt\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/ph.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/run.epw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/run.ph.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/scf.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/01-Density/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/01-Density/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/01-Density/scf.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/link.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/generate_ex_band.py\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/link.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/run.bse.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/kernel.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/absorption.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/pseudos/\nq-e-qe-7.6/EPW/examples/lif_hdf5/pseudos/F.upf\nq-e-qe-7.6/EPW/examples/lif_hdf5/pseudos/Li.upf\nq-e-qe-7.6/EPW/examples/lif_hdf5/run.espresso.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/setup.sh\nq-e-qe-7.6/EPW/examples/mgb2/\nq-e-qe-7.6/EPW/examples/mgb2/epw/\nq-e-qe-7.6/EPW/examples/mgb2/epw/epw.in\nq-e-qe-7.6/EPW/examples/mgb2/epw/nscf.in\nq-e-qe-7.6/EPW/examples/mgb2/epw/scf.in\nq-e-qe-7.6/EPW/examples/mgb2/phonons/\nq-e-qe-7.6/EPW/examples/mgb2/phonons/ph.in\nq-e-qe-7.6/EPW/examples/mgb2/phonons/pp.py\nq-e-qe-7.6/EPW/examples/mgb2/phonons/scf.in\nq-e-qe-7.6/EPW/examples/mgb2/pp/\nq-e-qe-7.6/EPW/examples/mgb2/pp/B.pz-vbc.UPF\nq-e-qe-7.6/EPW/examples/mgb2/pp/Mg.pz-n-vbc.UPF\nq-e-qe-7.6/EPW/examples/pb/\nq-e-qe-7.6/EPW/examples/pb/pp/\nq-e-qe-7.6/EPW/examples/pb/pp/pb_s.UPF\nq-e-qe-7.6/EPW/examples/pb/wSOC/\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/epw.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/nscf.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/scf.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/ph.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/pp.py\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/scf.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/epw.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/nscf.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/scf.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/ph.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/pp.py\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/scf.in\nq-e-qe-7.6/EPW/examples/sic/\nq-e-qe-7.6/EPW/examples/sic/epw/\nq-e-qe-7.6/EPW/examples/sic/epw/epw.in\nq-e-qe-7.6/EPW/examples/sic/epw/meshes/\nq-e-qe-7.6/EPW/examples/sic/epw/meshes/10.dat\nq-e-qe-7.6/EPW/examples/sic/epw/nscf.in\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.H\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.P\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.dynmat\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.epmat_wanep\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.epwane\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/epw.out\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/nscf.out\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/scf.out\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/sic.wout\nq-e-qe-7.6/EPW/examples/sic/epw/scf.in\nq-e-qe-7.6/EPW/examples/sic/phonons/\nq-e-qe-7.6/EPW/examples/sic/phonons/out.ref/\nq-e-qe-7.6/EPW/examples/sic/phonons/out.ref/scf.out\nq-e-qe-7.6/EPW/examples/sic/phonons/ph.in\nq-e-qe-7.6/EPW/examples/sic/phonons/pp.py\nq-e-qe-7.6/EPW/examples/sic/phonons/scf.in\nq-e-qe-7.6/EPW/examples/sic/pp/\nq-e-qe-7.6/EPW/examples/sic/pp/C.UPF\nq-e-qe-7.6/EPW/examples/sic/pp/Si.pz-vbc.UPF\nq-e-qe-7.6/EPW/irobjs/\nq-e-qe-7.6/EPW/irobjs/Makefile\nq-e-qe-7.6/EPW/irobjs/README.md\nq-e-qe-7.6/EPW/irobjs/ir_nlambda5_ndigit6.dat\nq-e-qe-7.6/EPW/src/\nq-e-qe-7.6/EPW/src/Makefile\nq-e-qe-7.6/EPW/src/bloch2wannier.f90\nq-e-qe-7.6/EPW/src/close.f90\nq-e-qe-7.6/EPW/src/cumulant.f90\nq-e-qe-7.6/EPW/src/dvqhub.f90\nq-e-qe-7.6/EPW/src/dvqpsi.f90\nq-e-qe-7.6/EPW/src/ep_coarse.f90\nq-e-qe-7.6/EPW/src/ep_coarse_unfolding.f90\nq-e-qe-7.6/EPW/src/ep_constants.f90\nq-e-qe-7.6/EPW/src/epw.f90\nq-e-qe-7.6/EPW/src/exphonon.f90\nq-e-qe-7.6/EPW/src/expolaron.f90\nq-e-qe-7.6/EPW/src/global_setups.f90\nq-e-qe-7.6/EPW/src/global_var.f90\nq-e-qe-7.6/EPW/src/indabs.f90\nq-e-qe-7.6/EPW/src/init.f90\nq-e-qe-7.6/EPW/src/input.f90\nq-e-qe-7.6/EPW/src/io/\nq-e-qe-7.6/EPW/src/io/change.sh\nq-e-qe-7.6/EPW/src/io/io.f90\nq-e-qe-7.6/EPW/src/io/io_ahc.f90\nq-e-qe-7.6/EPW/src/io/io_indabs.f90\nq-e-qe-7.6/EPW/src/io/io_selfen.f90\nq-e-qe-7.6/EPW/src/io/io_sparse_ir.f90\nq-e-qe-7.6/EPW/src/io/io_supercond.f90\nq-e-qe-7.6/EPW/src/io/io_transport.f90\nq-e-qe-7.6/EPW/src/io/io_var.f90\nq-e-qe-7.6/EPW/src/longrange.f90\nq-e-qe-7.6/EPW/src/onemkl_wrappers.f90\nq-e-qe-7.6/EPW/src/phph.f90\nq-e-qe-7.6/EPW/src/polaron.f90\nq-e-qe-7.6/EPW/src/printing.f90\nq-e-qe-7.6/EPW/src/pw2wan.f90\nq-e-qe-7.6/EPW/src/qdabs.f90\nq-e-qe-7.6/EPW/src/qe_wrappers.f90\nq-e-qe-7.6/EPW/src/readin.f90\nq-e-qe-7.6/EPW/src/selfen.f90\nq-e-qe-7.6/EPW/src/setups.f90\nq-e-qe-7.6/EPW/src/spectral.f90\nq-e-qe-7.6/EPW/src/stop.f90\nq-e-qe-7.6/EPW/src/summaries.f90\nq-e-qe-7.6/EPW/src/supercond.f90\nq-e-qe-7.6/EPW/src/supercond_aniso.f90\nq-e-qe-7.6/EPW/src/supercond_common.f90\nq-e-qe-7.6/EPW/src/supercond_coul.f90\nq-e-qe-7.6/EPW/src/supercond_driver.f90\nq-e-qe-7.6/EPW/src/supercond_iso.f90\nq-e-qe-7.6/EPW/src/supercond_vertex.f90\nq-e-qe-7.6/EPW/src/tdbe_common.f90\nq-e-qe-7.6/EPW/src/tdbe_driver.f90\nq-e-qe-7.6/EPW/src/tdbe_mod.f90\nq-e-qe-7.6/EPW/src/transport.f90\nq-e-qe-7.6/EPW/src/transport_legacy.f90\nq-e-qe-7.6/EPW/src/transport_mag.f90\nq-e-qe-7.6/EPW/src/use_wannier.f90\nq-e-qe-7.6/EPW/src/utilities/\nq-e-qe-7.6/EPW/src/utilities/bcast_input.f90\nq-e-qe-7.6/EPW/src/utilities/bzgrid.f90\nq-e-qe-7.6/EPW/src/utilities/change.sh\nq-e-qe-7.6/EPW/src/utilities/check_deps.sh\nq-e-qe-7.6/EPW/src/utilities/clean_unused_modules.py\nq-e-qe-7.6/EPW/src/utilities/clean_unused_variables.py\nq-e-qe-7.6/EPW/src/utilities/kfold.f90\nq-e-qe-7.6/EPW/src/utilities/kgen.f90\nq-e-qe-7.6/EPW/src/utilities/low_lvl.f90\nq-e-qe-7.6/EPW/src/utilities/nscf2supercond.f90\nq-e-qe-7.6/EPW/src/utilities/parallelism.f90\nq-e-qe-7.6/EPW/src/utilities/screening.f90\nq-e-qe-7.6/EPW/src/utilities/sparse_ir.f90\nq-e-qe-7.6/EPW/src/utilities/symmetry.f90\nq-e-qe-7.6/EPW/src/utilities/utilities.f90\nq-e-qe-7.6/EPW/src/wann_common.f90\nq-e-qe-7.6/EPW/src/wannier.f90\nq-e-qe-7.6/EPW/src/wannier2bloch.f90\nq-e-qe-7.6/EPW/src/wannier2bloch_opt.f90\nq-e-qe-7.6/EPW/src/wannierization.f90\nq-e-qe-7.6/EPW/src/wfpt.f90\nq-e-qe-7.6/EPW/src/wigner.f90\nq-e-qe-7.6/FFTXlib/\nq-e-qe-7.6/FFTXlib/CMakeLists.txt\nq-e-qe-7.6/FFTXlib/Makefile\nq-e-qe-7.6/FFTXlib/README.md\nq-e-qe-7.6/FFTXlib/examples/\nq-e-qe-7.6/FFTXlib/examples/reference/\nq-e-qe-7.6/FFTXlib/examples/reference/fft_test0.out\nq-e-qe-7.6/FFTXlib/examples/run_example\nq-e-qe-7.6/FFTXlib/src/\nq-e-qe-7.6/FFTXlib/src/CMakeLists.txt\nq-e-qe-7.6/FFTXlib/src/Makefile\nq-e-qe-7.6/FFTXlib/src/fft_buffers.f90\nq-e-qe-7.6/FFTXlib/src/fft_error.f90\nq-e-qe-7.6/FFTXlib/src/fft_fwinv.f90\nq-e-qe-7.6/FFTXlib/src/fft_ggen.f90\nq-e-qe-7.6/FFTXlib/src/fft_helper_subroutines.f90\nq-e-qe-7.6/FFTXlib/src/fft_interfaces.f90\nq-e-qe-7.6/FFTXlib/src/fft_interpolate.f90\nq-e-qe-7.6/FFTXlib/src/fft_parallel.f90\nq-e-qe-7.6/FFTXlib/src/fft_parallel_2d.f90\nq-e-qe-7.6/FFTXlib/src/fft_param.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.DFTI.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.ESSL.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.FFTW.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.FFTW3.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.SX6.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.cuFFT.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter_2d.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter_2d_gpu.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter_gpu.f90\nq-e-qe-7.6/FFTXlib/src/fft_smallbox.f90\nq-e-qe-7.6/FFTXlib/src/fft_smallbox_type.f90\nq-e-qe-7.6/FFTXlib/src/fft_stick.c\nq-e-qe-7.6/FFTXlib/src/fft_support.f90\nq-e-qe-7.6/FFTXlib/src/fft_types.f90\nq-e-qe-7.6/FFTXlib/src/fftw.c\nq-e-qe-7.6/FFTXlib/src/fftw.h\nq-e-qe-7.6/FFTXlib/src/fftw_dp.c\nq-e-qe-7.6/FFTXlib/src/fftw_dp.h\nq-e-qe-7.6/FFTXlib/src/fftw_interfaces.f90\nq-e-qe-7.6/FFTXlib/src/fftw_sp.c\nq-e-qe-7.6/FFTXlib/src/fftw_sp.h\nq-e-qe-7.6/FFTXlib/src/konst.h\nq-e-qe-7.6/FFTXlib/src/scatter_mod.f90\nq-e-qe-7.6/FFTXlib/src/stick_base.f90\nq-e-qe-7.6/FFTXlib/src/tg_gather.f90\nq-e-qe-7.6/FFTXlib/tests/\nq-e-qe-7.6/FFTXlib/tests/CMakeLists.txt\nq-e-qe-7.6/FFTXlib/tests/Makefile\nq-e-qe-7.6/FFTXlib/tests/fft_test.f90\nq-e-qe-7.6/FFTXlib/tests/gen_test_params.py\nq-e-qe-7.6/FFTXlib/tests/recips.f90\nq-e-qe-7.6/FFTXlib/tests/sort.f90\nq-e-qe-7.6/FFTXlib/tests/test_fft_scalar_gpu.f90\nq-e-qe-7.6/FFTXlib/tests/test_fft_scatter_mod_gpu.f90\nq-e-qe-7.6/FFTXlib/tests/test_fwinv_gpu.f90\nq-e-qe-7.6/FFTXlib/tests/tester.f90\nq-e-qe-7.6/FFTXlib/tests/utils.f90\nq-e-qe-7.6/GUI/\nq-e-qe-7.6/GUI/CMakeLists.txt\nq-e-qe-7.6/GUI/Guib/\nq-e-qe-7.6/GUI/Guib/AUTHORS\nq-e-qe-7.6/GUI/Guib/BUGS\nq-e-qe-7.6/GUI/Guib/COPYING\nq-e-qe-7.6/GUI/Guib/COPYRIGHT\nq-e-qe-7.6/GUI/Guib/ChangeLog\nq-e-qe-7.6/GUI/Guib/INSTALL\nq-e-qe-7.6/GUI/Guib/Makefile\nq-e-qe-7.6/GUI/Guib/NEWS\nq-e-qe-7.6/GUI/Guib/README\nq-e-qe-7.6/GUI/Guib/THANKS\nq-e-qe-7.6/GUI/Guib/TODO\nq-e-qe-7.6/GUI/Guib/VERSION\nq-e-qe-7.6/GUI/Guib/doc/\nq-e-qe-7.6/GUI/Guib/doc/Makefile\nq-e-qe-7.6/GUI/Guib/doc/diagrams/\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-new.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-new.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-open.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-open.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/Guib.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/Guib.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/Makefile\nq-e-qe-7.6/GUI/Guib/doc/diagrams/PWgui.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/PWgui.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/myGUI.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/myGUI.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/myGUI.tcl\nq-e-qe-7.6/GUI/Guib/doc/diagrams/parsing.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/parsing.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/topng.sh\nq-e-qe-7.6/GUI/Guib/doc/robodoc.rc\nq-e-qe-7.6/GUI/Guib/doc/usage.tex\nq-e-qe-7.6/GUI/Guib/examples/\nq-e-qe-7.6/GUI/Guib/examples/README\nq-e-qe-7.6/GUI/Guib/examples/dimension.inp\nq-e-qe-7.6/GUI/Guib/examples/dimension.tcl\nq-e-qe-7.6/GUI/Guib/examples/kpoints.inp\nq-e-qe-7.6/GUI/Guib/examples/kpoints.tcl\nq-e-qe-7.6/GUI/Guib/examples/pages.inp\nq-e-qe-7.6/GUI/Guib/examples/pages.tcl\nq-e-qe-7.6/GUI/Guib/examples/run.sh\nq-e-qe-7.6/GUI/Guib/examples/simpleSim.inp\nq-e-qe-7.6/GUI/Guib/examples/simpleSim.tcl\nq-e-qe-7.6/GUI/Guib/examples/two_pages.tcl\nq-e-qe-7.6/GUI/Guib/examples/validate.inp\nq-e-qe-7.6/GUI/Guib/examples/validate.tcl\nq-e-qe-7.6/GUI/Guib/external/\nq-e-qe-7.6/GUI/Guib/external/lib/\nq-e-qe-7.6/GUI/Guib/external/lib/cmdline/\nq-e-qe-7.6/GUI/Guib/external/lib/cmdline/cmdline.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/cmdline/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/fileutil/\nq-e-qe-7.6/GUI/Guib/external/lib/fileutil/fileutil.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/fileutil/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/license.terms\nq-e-qe-7.6/GUI/Guib/external/lib/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/guib\nq-e-qe-7.6/GUI/Guib/guib.bat\nq-e-qe-7.6/GUI/Guib/guib.tcl\nq-e-qe-7.6/GUI/Guib/guib.theme\nq-e-qe-7.6/GUI/Guib/header.tcl\nq-e-qe-7.6/GUI/Guib/images/\nq-e-qe-7.6/GUI/Guib/images/exit2.gif\nq-e-qe-7.6/GUI/Guib/images/fileclose2.gif\nq-e-qe-7.6/GUI/Guib/images/filenew2.gif\nq-e-qe-7.6/GUI/Guib/images/fileopen2.gif\nq-e-qe-7.6/GUI/Guib/images/filesave2.gif\nq-e-qe-7.6/GUI/Guib/images/filesaveas2.gif\nq-e-qe-7.6/GUI/Guib/images/icons.license\nq-e-qe-7.6/GUI/Guib/init.tcl\nq-e-qe-7.6/GUI/Guib/lib/\nq-e-qe-7.6/GUI/Guib/lib/Makefile\nq-e-qe-7.6/GUI/Guib/lib/aindex\nq-e-qe-7.6/GUI/Guib/lib/header.tcl\nq-e-qe-7.6/GUI/Guib/lib/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/lib/tclIndex\nq-e-qe-7.6/GUI/Guib/lib/tclUtils.tcl\nq-e-qe-7.6/GUI/Guib/lib/tkUtils.tcl\nq-e-qe-7.6/GUI/Guib/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/src/\nq-e-qe-7.6/GUI/Guib/src/Makefile\nq-e-qe-7.6/GUI/Guib/src/aindex\nq-e-qe-7.6/GUI/Guib/src/build.itcl\nq-e-qe-7.6/GUI/Guib/src/dialogshell.itcl\nq-e-qe-7.6/GUI/Guib/src/fnml.tcl\nq-e-qe-7.6/GUI/Guib/src/gui.itcl\nq-e-qe-7.6/GUI/Guib/src/guib-keywords-def.tcl\nq-e-qe-7.6/GUI/Guib/src/guib.itcl\nq-e-qe-7.6/GUI/Guib/src/guibKeywords.itcl\nq-e-qe-7.6/GUI/Guib/src/guibUtils.itcl\nq-e-qe-7.6/GUI/Guib/src/help.itcl\nq-e-qe-7.6/GUI/Guib/src/keywidgets.itcl\nq-e-qe-7.6/GUI/Guib/src/keywordObj.itcl\nq-e-qe-7.6/GUI/Guib/src/moduleObj.itcl\nq-e-qe-7.6/GUI/Guib/src/open.itcl\nq-e-qe-7.6/GUI/Guib/src/optionmenuhelp.itcl\nq-e-qe-7.6/GUI/Guib/src/radioboxhelp.itcl\nq-e-qe-7.6/GUI/Guib/src/save.itcl\nq-e-qe-7.6/GUI/Guib/src/simpleGui.itcl\nq-e-qe-7.6/GUI/Guib/src/spininthelp.itcl\nq-e-qe-7.6/GUI/Guib/src/store.itcl\nq-e-qe-7.6/GUI/Guib/src/table.itcl\nq-e-qe-7.6/GUI/Guib/src/tclIndex\nq-e-qe-7.6/GUI/Guib/src/text.itcl\nq-e-qe-7.6/GUI/Guib/src/validate.itcl\nq-e-qe-7.6/GUI/Guib/src/widgets.itcl\nq-e-qe-7.6/GUI/Guib/sys_utils/\nq-e-qe-7.6/GUI/Guib/sys_utils/mgt.tabs\nq-e-qe-7.6/GUI/Guib/sys_utils/repack.sh\nq-e-qe-7.6/GUI/Makefile\nq-e-qe-7.6/GUI/PWgui/\nq-e-qe-7.6/GUI/PWgui/AUTHORS\nq-e-qe-7.6/GUI/PWgui/BUGS\nq-e-qe-7.6/GUI/PWgui/COPYING\nq-e-qe-7.6/GUI/PWgui/COPYRIGHT\nq-e-qe-7.6/GUI/PWgui/ChangeLog\nq-e-qe-7.6/GUI/PWgui/INSTALL\nq-e-qe-7.6/GUI/PWgui/INSTALL.repository\nq-e-qe-7.6/GUI/PWgui/Makefile\nq-e-qe-7.6/GUI/PWgui/NEWS\nq-e-qe-7.6/GUI/PWgui/README\nq-e-qe-7.6/GUI/PWgui/README.developer\nq-e-qe-7.6/GUI/PWgui/THANKS\nq-e-qe-7.6/GUI/PWgui/TODO\nq-e-qe-7.6/GUI/PWgui/VERSION\nq-e-qe-7.6/GUI/PWgui/doc/\nq-e-qe-7.6/GUI/PWgui/doc/Makefile\nq-e-qe-7.6/GUI/PWgui/doc/htmlise.sh\nq-e-qe-7.6/GUI/PWgui/examples/\nq-e-qe-7.6/GUI/PWgui/examples/atomic/\nq-e-qe-7.6/GUI/PWgui/examples/atomic/pt.all_electron.in\nq-e-qe-7.6/GUI/PWgui/examples/atomic/pt.pseudo_gen.in\nq-e-qe-7.6/GUI/PWgui/examples/atomic/rh.pseudo_test.in\nq-e-qe-7.6/GUI/PWgui/examples/d3/\nq-e-qe-7.6/GUI/PWgui/examples/d3/sample.d3.inp\nq-e-qe-7.6/GUI/PWgui/examples/neb.dat/\nq-e-qe-7.6/GUI/PWgui/examples/neb.dat/neb.dat\nq-e-qe-7.6/GUI/PWgui/examples/ph/\nq-e-qe-7.6/GUI/PWgui/examples/ph/sample.ph.inp\nq-e-qe-7.6/GUI/PWgui/examples/pp/\nq-e-qe-7.6/GUI/PWgui/examples/pp/psi2-noncolin.pp.in\nq-e-qe-7.6/GUI/PWgui/examples/pp/psi2-v2.pp.inp\nq-e-qe-7.6/GUI/PWgui/examples/pp/psi2.pp.inp\nq-e-qe-7.6/GUI/PWgui/examples/projwfc/\nq-e-qe-7.6/GUI/PWgui/examples/projwfc/sample.pr.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/\nq-e-qe-7.6/GUI/PWgui/examples/pw/Si_band.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/Si_scf.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/abc.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/addit-k-points.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/additional_k_points\nq-e-qe-7.6/GUI/PWgui/examples/pw/al.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/al.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/atomic_positions\nq-e-qe-7.6/GUI/PWgui/examples/pw/cu.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/cu.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/hubbard+occup.pw.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/hubbard.pw.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/k_points\nq-e-qe-7.6/GUI/PWgui/examples/pw/ni.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/ni.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/occup+hubbard.pw.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/occupations.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/sample.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/si.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/si.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/vdw_corr.in\nq-e-qe-7.6/GUI/PWgui/external/\nq-e-qe-7.6/GUI/PWgui/external/lib/\nq-e-qe-7.6/GUI/PWgui/external/lib/Makefile\nq-e-qe-7.6/GUI/PWgui/external/lib/license.terms\nq-e-qe-7.6/GUI/PWgui/external/src/\nq-e-qe-7.6/GUI/PWgui/external/src/Makefile\nq-e-qe-7.6/GUI/PWgui/external/src/license.terms\nq-e-qe-7.6/GUI/PWgui/external/src/tkAppInit.c\nq-e-qe-7.6/GUI/PWgui/header.tcl\nq-e-qe-7.6/GUI/PWgui/images/\nq-e-qe-7.6/GUI/PWgui/images/license.terms\nq-e-qe-7.6/GUI/PWgui/images/pwgui-logo.gif\nq-e-qe-7.6/GUI/PWgui/images/pwgui-logo.xcf.bz2\nq-e-qe-7.6/GUI/PWgui/images/pwscf-logo.gif\nq-e-qe-7.6/GUI/PWgui/init.tcl\nq-e-qe-7.6/GUI/PWgui/lib/\nq-e-qe-7.6/GUI/PWgui/lib/.dont-delete\nq-e-qe-7.6/GUI/PWgui/make.usage\nq-e-qe-7.6/GUI/PWgui/modules/\nq-e-qe-7.6/GUI/PWgui/modules/atomic/\nq-e-qe-7.6/GUI/PWgui/modules/atomic/atomic-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/atomic/atomic-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/atomic/atomic.tcl\nq-e-qe-7.6/GUI/PWgui/modules/atomic/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/\nq-e-qe-7.6/GUI/PWgui/modules/bands/bands-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/bands-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/bands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/\nq-e-qe-7.6/GUI/PWgui/modules/d3/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/d3-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/d3-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/d3.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/\nq-e-qe-7.6/GUI/PWgui/modules/dos/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/dos-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/dos-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/dos.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/\nq-e-qe-7.6/GUI/PWgui/modules/hp/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/hp-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/hp-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/hp.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/\nq-e-qe-7.6/GUI/PWgui/modules/neb/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/neb-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/neb-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/neb.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/\nq-e-qe-7.6/GUI/PWgui/modules/ph/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/ph-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/ph-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/ph.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/\nq-e-qe-7.6/GUI/PWgui/modules/pp/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/pp-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/pp-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/pp.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/projwfc-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/projwfc-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/projwfc.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/\nq-e-qe-7.6/GUI/PWgui/modules/pw/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/pw-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/pw-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/pw.tcl\nq-e-qe-7.6/GUI/PWgui/pwgui\nq-e-qe-7.6/GUI/PWgui/pwgui.bat\nq-e-qe-7.6/GUI/PWgui/pwgui.settings\nq-e-qe-7.6/GUI/PWgui/pwgui.tcl\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/MakeDir.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/Makefile\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/README\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/darwin-ppc.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/linux-x86.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/linux-x86_64.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/make.darwin\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/make.linux\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/make.win32\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/win32.sh\nq-e-qe-7.6/GUI/PWgui/src/\nq-e-qe-7.6/GUI/PWgui/src/Makefile\nq-e-qe-7.6/GUI/PWgui/src/about.html\nq-e-qe-7.6/GUI/PWgui/src/aindex\nq-e-qe-7.6/GUI/PWgui/src/auxil.itcl\nq-e-qe-7.6/GUI/PWgui/src/edit.itcl\nq-e-qe-7.6/GUI/PWgui/src/init.itcl\nq-e-qe-7.6/GUI/PWgui/src/menustate.itcl\nq-e-qe-7.6/GUI/PWgui/src/modutil.itcl\nq-e-qe-7.6/GUI/PWgui/src/pwscf.itcl\nq-e-qe-7.6/GUI/PWgui/src/pwscf.theme\nq-e-qe-7.6/GUI/PWgui/src/run.itcl\nq-e-qe-7.6/GUI/PWgui/src/settings.itcl\nq-e-qe-7.6/GUI/PWgui/src/tclIndex\nq-e-qe-7.6/GUI/PWgui/src/view.itcl\nq-e-qe-7.6/GUI/PWgui/sys_utils/\nq-e-qe-7.6/GUI/PWgui/sys_utils/bin.sh\nq-e-qe-7.6/GUI/PWgui/sys_utils/make.guib\nq-e-qe-7.6/GUI/PWgui/sys_utils/publish.sh\nq-e-qe-7.6/GUI/PWgui/sys_utils/repack.sh\nq-e-qe-7.6/GUI/PWgui/sys_utils/starkit.sh\nq-e-qe-7.6/GUI/PWgui/tests/\nq-e-qe-7.6/GUI/PWgui/tests/run-tests.sh\nq-e-qe-7.6/GUI/QE-modes/\nq-e-qe-7.6/GUI/QE-modes/Doc/\nq-e-qe-7.6/GUI/QE-modes/Doc/Makefile\nq-e-qe-7.6/GUI/QE-modes/Doc/highlight.png\nq-e-qe-7.6/GUI/QE-modes/Doc/insert-template.png\nq-e-qe-7.6/GUI/QE-modes/Doc/user_guide.pdf\nq-e-qe-7.6/GUI/QE-modes/Doc/user_guide.tex\nq-e-qe-7.6/GUI/QE-modes/Makefile\nq-e-qe-7.6/GUI/QE-modes/README\nq-e-qe-7.6/GUI/QE-modes/README.repository\nq-e-qe-7.6/GUI/QE-modes/THANKS\nq-e-qe-7.6/GUI/QE-modes/install.sh\nq-e-qe-7.6/GUI/QE-modes/qe-modes.emacs\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/README\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/autoload-specific.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/bands.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/card-noflags.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/card.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/cp.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/dos.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/dynmat.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/header.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/insert-template.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/ld1.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/namelist.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/neb.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/ph.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/pp.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/projwfc.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/pw.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/pwtk-mode.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-all-modes.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-all-modes.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-funcs.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-mode.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-modes.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/stringvar.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/supercard-open.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/supercard.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/var.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes/\nq-e-qe-7.6/GUI/QE-modes/qe-modes/cp-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/ld1-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/neb-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/ph-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/pp-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/pw-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/pwtk-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/qe-funcs.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/qe-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/qe-modes.el\nq-e-qe-7.6/GUI/README\nq-e-qe-7.6/GWW/\nq-e-qe-7.6/GWW/CMakeLists.txt\nq-e-qe-7.6/GWW/Makefile\nq-e-qe-7.6/GWW/bse/\nq-e-qe-7.6/GWW/bse/Makefile\nq-e-qe-7.6/GWW/bse/absorption.f90\nq-e-qe-7.6/GWW/bse/bse_basic_structure.f90\nq-e-qe-7.6/GWW/bse/bse_main.f90\nq-e-qe-7.6/GWW/bse/bse_wannier.f90\nq-e-qe-7.6/GWW/bse/cgsolve.f90\nq-e-qe-7.6/GWW/bse/check_basis.f90\nq-e-qe-7.6/GWW/bse/conj_grad_stuff.f90\nq-e-qe-7.6/GWW/bse/conjgrad.f90\nq-e-qe-7.6/GWW/bse/contract_w_exc.f90\nq-e-qe-7.6/GWW/bse/diago_exc.f90\nq-e-qe-7.6/GWW/bse/direct_v_exc.f90\nq-e-qe-7.6/GWW/bse/direct_w_exc.f90\nq-e-qe-7.6/GWW/bse/direct_www.f90\nq-e-qe-7.6/GWW/bse/dvpsi_bse.f90\nq-e-qe-7.6/GWW/bse/exc_h_a.f90\nq-e-qe-7.6/GWW/bse/exchange_exc.f90\nq-e-qe-7.6/GWW/bse/exciton.f90\nq-e-qe-7.6/GWW/bse/find_eig.f90\nq-e-qe-7.6/GWW/bse/h_h.f90\nq-e-qe-7.6/GWW/bse/lanczos.f90\nq-e-qe-7.6/GWW/bse/openfil_bse.f90\nq-e-qe-7.6/GWW/bse/plot_excwfn.f90\nq-e-qe-7.6/GWW/bse/print_bse.f90\nq-e-qe-7.6/GWW/bse/print_spectrum.f90\nq-e-qe-7.6/GWW/bse/qpcorrections.f90\nq-e-qe-7.6/GWW/bse/qpe_exc.f90\nq-e-qe-7.6/GWW/bse/read_export.f90\nq-e-qe-7.6/GWW/bse/rotate_wannier.f90\nq-e-qe-7.6/GWW/bse/sdescent.f90\nq-e-qe-7.6/GWW/bse/spectrum.f90\nq-e-qe-7.6/GWW/bse/start_bse.f90\nq-e-qe-7.6/GWW/bse/tmp.f90\nq-e-qe-7.6/GWW/bse/transitions.f90\nq-e-qe-7.6/GWW/bse/tspace.f90\nq-e-qe-7.6/GWW/bse/write_wannier_matrix.f90\nq-e-qe-7.6/GWW/doc/\nq-e-qe-7.6/GWW/doc/README\nq-e-qe-7.6/GWW/doc/make.sys_SCALAPACK\nq-e-qe-7.6/GWW/examples/\nq-e-qe-7.6/GWW/examples/README\nq-e-qe-7.6/GWW/examples/example01/\nq-e-qe-7.6/GWW/examples/example01/methane_gww.in\nq-e-qe-7.6/GWW/examples/example01/methane_gww_steps.in\nq-e-qe-7.6/GWW/examples/example01/methane_pw4gww.in\nq-e-qe-7.6/GWW/examples/example01/methane_pw4gww_basis.in\nq-e-qe-7.6/GWW/examples/example01/methane_pw4gww_steps.in\nq-e-qe-7.6/GWW/examples/example01/methane_scf.in\nq-e-qe-7.6/GWW/examples/example01/methane_scf_25.in\nq-e-qe-7.6/GWW/examples/example01/methane_scf_35.in\nq-e-qe-7.6/GWW/examples/example01/reference/\nq-e-qe-7.6/GWW/examples/example01/reference/methane_gww.out\nq-e-qe-7.6/GWW/examples/example01/reference/methane_pw4gww.out\nq-e-qe-7.6/GWW/examples/example01/reference/methane_scf.out\nq-e-qe-7.6/GWW/examples/example01/run_example\nq-e-qe-7.6/GWW/examples/example02/\nq-e-qe-7.6/GWW/examples/example02/reference/\nq-e-qe-7.6/GWW/examples/example02/reference/si_gww.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_head.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_nscf.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_pw4gww.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_scf_k.out\nq-e-qe-7.6/GWW/examples/example02/run_example\nq-e-qe-7.6/GWW/examples/example02/si_gww.in\nq-e-qe-7.6/GWW/examples/example02/si_head.in\nq-e-qe-7.6/GWW/examples/example02/si_nscf.in\nq-e-qe-7.6/GWW/examples/example02/si_pw4gww.in\nq-e-qe-7.6/GWW/examples/example02/si_pw4gww_planewaves.in\nq-e-qe-7.6/GWW/examples/example02/si_scf_k.in\nq-e-qe-7.6/GWW/examples/example03/\nq-e-qe-7.6/GWW/examples/example03/run_example\nq-e-qe-7.6/GWW/examples/example04/\nq-e-qe-7.6/GWW/examples/example04/Ag_ONCV_PBE-1.0.upf\nq-e-qe-7.6/GWW/examples/example04/README\nq-e-qe-7.6/GWW/examples/example04/reference/\nq-e-qe-7.6/GWW/examples/example04/reference/ag.dos_broadening.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eels.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_inter_im.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_inter_re.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_tot_im.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_tot_re.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.jdos.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.optical_constants.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag_nscf.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_nscf.out\nq-e-qe-7.6/GWW/examples/example04/reference/ag_scf.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_scf.out\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple.out\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple_ip.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple_ip.out\nq-e-qe-7.6/GWW/examples/example04/reference/pippo.txt\nq-e-qe-7.6/GWW/examples/example04/run_example\nq-e-qe-7.6/GWW/examples/example05/\nq-e-qe-7.6/GWW/examples/example05/reference/\nq-e-qe-7.6/GWW/examples/example05/reference/ab_coeff.dat\nq-e-qe-7.6/GWW/examples/example05/reference/abcoeff_to_eps.in\nq-e-qe-7.6/GWW/examples/example05/reference/abcoeff_to_eps.tmp\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps1x.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps1y.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps1z.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps2x.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps2y.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps2z.dat\nq-e-qe-7.6/GWW/examples/example05/reference/si_gww.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_gww.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_head.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_head.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf_k.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf_k.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_pw4gww.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_pw4gww.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_scf_k.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_scf_k.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple_bse.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple_bse.out\nq-e-qe-7.6/GWW/examples/example05/run_example\nq-e-qe-7.6/GWW/examples/example06/\nq-e-qe-7.6/GWW/examples/example06/reference/\nq-e-qe-7.6/GWW/examples/example06/reference/silane_bse.out\nq-e-qe-7.6/GWW/examples/example06/reference/silane_pw4gww.out\nq-e-qe-7.6/GWW/examples/example06/reference/silane_scf.out\nq-e-qe-7.6/GWW/examples/example06/run_example\nq-e-qe-7.6/GWW/gww/\nq-e-qe-7.6/GWW/gww/Makefile\nq-e-qe-7.6/GWW/gww/basic_structures.f90\nq-e-qe-7.6/GWW/gww/compact_product.f90\nq-e-qe-7.6/GWW/gww/contour.f90\nq-e-qe-7.6/GWW/gww/create_hf.f90\nq-e-qe-7.6/GWW/gww/create_quasi_particle.f90\nq-e-qe-7.6/GWW/gww/create_quasi_particle_off.f90\nq-e-qe-7.6/GWW/gww/do_contour.f90\nq-e-qe-7.6/GWW/gww/do_polarization_lanczos.f90\nq-e-qe-7.6/GWW/gww/do_self_lanczos.f90\nq-e-qe-7.6/GWW/gww/do_self_lanczos_full.f90\nq-e-qe-7.6/GWW/gww/do_self_lanczos_time.f90\nq-e-qe-7.6/GWW/gww/energies_gww.f90\nq-e-qe-7.6/GWW/gww/expansion.f90\nq-e-qe-7.6/GWW/gww/fft_gw.f90\nq-e-qe-7.6/GWW/gww/fit_multipole.f90\nq-e-qe-7.6/GWW/gww/fit_polynomial.f90\nq-e-qe-7.6/GWW/gww/go_dressed_w.f90\nq-e-qe-7.6/GWW/gww/go_exchange.f90\nq-e-qe-7.6/GWW/gww/go_fft.f90\nq-e-qe-7.6/GWW/gww/go_green.f90\nq-e-qe-7.6/GWW/gww/go_polarization.f90\nq-e-qe-7.6/GWW/gww/green_function.f90\nq-e-qe-7.6/GWW/gww/gv_time.f90\nq-e-qe-7.6/GWW/gww/gww.f90\nq-e-qe-7.6/GWW/gww/gww_fit.f90\nq-e-qe-7.6/GWW/gww/input_gw.f90\nq-e-qe-7.6/GWW/gww/lanczos_polarization.f90\nq-e-qe-7.6/GWW/gww/para_gww.f90\nq-e-qe-7.6/GWW/gww/polarization.f90\nq-e-qe-7.6/GWW/gww/read_data_pw.f90\nq-e-qe-7.6/GWW/gww/remainder.f90\nq-e-qe-7.6/GWW/gww/self_energy.f90\nq-e-qe-7.6/GWW/gww/self_energy_storage.f90\nq-e-qe-7.6/GWW/gww/start_end.f90\nq-e-qe-7.6/GWW/gww/times_gw.f90\nq-e-qe-7.6/GWW/gww/vcprim.f90\nq-e-qe-7.6/GWW/head/\nq-e-qe-7.6/GWW/head/Makefile\nq-e-qe-7.6/GWW/head/bcast_gwl_input.f90\nq-e-qe-7.6/GWW/head/close_gwl.f90\nq-e-qe-7.6/GWW/head/gwl_readin.f90\nq-e-qe-7.6/GWW/head/head.f90\nq-e-qe-7.6/GWW/head/lanczos_k.f90\nq-e-qe-7.6/GWW/head/openfilq_gwl.f90\nq-e-qe-7.6/GWW/head/solve_head.f90\nq-e-qe-7.6/GWW/minpack/\nq-e-qe-7.6/GWW/minpack/Makefile\nq-e-qe-7.6/GWW/minpack/dpmpar.f90\nq-e-qe-7.6/GWW/minpack/enorm.f90\nq-e-qe-7.6/GWW/minpack/fdjac2.f90\nq-e-qe-7.6/GWW/minpack/lmder.f90\nq-e-qe-7.6/GWW/minpack/lmder1.f90\nq-e-qe-7.6/GWW/minpack/lmdif.f90\nq-e-qe-7.6/GWW/minpack/lmdif1.f90\nq-e-qe-7.6/GWW/minpack/lmpar.f90\nq-e-qe-7.6/GWW/minpack/mlagzo.f90\nq-e-qe-7.6/GWW/minpack/mlegzo.f90\nq-e-qe-7.6/GWW/minpack/qrfac.f90\nq-e-qe-7.6/GWW/minpack/qrsolv.f90\nq-e-qe-7.6/GWW/minpack/test.f90\nq-e-qe-7.6/GWW/pw4gww/\nq-e-qe-7.6/GWW/pw4gww/Makefile\nq-e-qe-7.6/GWW/pw4gww/allocate_wannier.f90\nq-e-qe-7.6/GWW/pw4gww/calculate_wing.f90\nq-e-qe-7.6/GWW/pw4gww/cgsolve_all_gamma.f90\nq-e-qe-7.6/GWW/pw4gww/contour_terms.f90\nq-e-qe-7.6/GWW/pw4gww/convergence.f90\nq-e-qe-7.6/GWW/pw4gww/dft_exchange.f90\nq-e-qe-7.6/GWW/pw4gww/diago_cg.f90\nq-e-qe-7.6/GWW/pw4gww/diago_cg_g.f90\nq-e-qe-7.6/GWW/pw4gww/easy_gw.f90\nq-e-qe-7.6/GWW/pw4gww/energies_xc.f90\nq-e-qe-7.6/GWW/pw4gww/exchange_custom.f90\nq-e-qe-7.6/GWW/pw4gww/fake_conduction.f90\nq-e-qe-7.6/GWW/pw4gww/fft_custom.f90\nq-e-qe-7.6/GWW/pw4gww/full.f90\nq-e-qe-7.6/GWW/pw4gww/gww_realus.f90\nq-e-qe-7.6/GWW/pw4gww/hpsi_pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/lanczos_chains.f90\nq-e-qe-7.6/GWW/pw4gww/matrix_wannier_gamma.f90\nq-e-qe-7.6/GWW/pw4gww/mp_wave_parallel.f90\nq-e-qe-7.6/GWW/pw4gww/o_1psi.f90\nq-e-qe-7.6/GWW/pw4gww/o_bands.f90\nq-e-qe-7.6/GWW/pw4gww/o_rinitcgg.f90\nq-e-qe-7.6/GWW/pw4gww/openfil_pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/operator_1_vp.f90\nq-e-qe-7.6/GWW/pw4gww/operator_debug.f90\nq-e-qe-7.6/GWW/pw4gww/optimal.f90\nq-e-qe-7.6/GWW/pw4gww/pola_lanczos.f90\nq-e-qe-7.6/GWW/pw4gww/pola_partial.f90\nq-e-qe-7.6/GWW/pw4gww/produce_wannier_gamma.f90\nq-e-qe-7.6/GWW/pw4gww/pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/rotate_wannier.f90\nq-e-qe-7.6/GWW/pw4gww/self_lanczos.f90\nq-e-qe-7.6/GWW/pw4gww/semicore.f90\nq-e-qe-7.6/GWW/pw4gww/semicore_read.f90\nq-e-qe-7.6/GWW/pw4gww/start_pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/stop_pp.f90\nq-e-qe-7.6/GWW/pw4gww/v_basis.f90\nq-e-qe-7.6/GWW/pw4gww/wannier.f90\nq-e-qe-7.6/GWW/pw4gww/wannier_bse.f90\nq-e-qe-7.6/GWW/pw4gww/wannier_uterms.f90\nq-e-qe-7.6/GWW/pw4gww/wfc_real.f90\nq-e-qe-7.6/GWW/pw4gww/write_vpot_matrix.f90\nq-e-qe-7.6/GWW/pw4gww/write_wannier_matrix.f90\nq-e-qe-7.6/GWW/simple/\nq-e-qe-7.6/GWW/simple/Makefile\nq-e-qe-7.6/GWW/simple/commutator.f90\nq-e-qe-7.6/GWW/simple/epe.f90\nq-e-qe-7.6/GWW/simple/gk_sort_limit.f90\nq-e-qe-7.6/GWW/simple/input_simple.f90\nq-e-qe-7.6/GWW/simple/khamiltonian.f90\nq-e-qe-7.6/GWW/simple/openfile_simple.f90\nq-e-qe-7.6/GWW/simple/product_basis.f90\nq-e-qe-7.6/GWW/simple/read_export.f90\nq-e-qe-7.6/GWW/simple/simple.f90\nq-e-qe-7.6/GWW/simple/stop_pp.f90\nq-e-qe-7.6/GWW/simple/v_product.f90\nq-e-qe-7.6/GWW/simple/wfc_basis.f90\nq-e-qe-7.6/GWW/simple_bse/\nq-e-qe-7.6/GWW/simple_bse/Makefile\nq-e-qe-7.6/GWW/simple_bse/build_eemat.f90\nq-e-qe-7.6/GWW/simple_bse/derived_object.f90\nq-e-qe-7.6/GWW/simple_bse/diago_exc_cg.f90\nq-e-qe-7.6/GWW/simple_bse/diago_exc_sd.f90\nq-e-qe-7.6/GWW/simple_bse/hamiltonian.f90\nq-e-qe-7.6/GWW/simple_bse/input_simple_exc.f90\nq-e-qe-7.6/GWW/simple_bse/lanczos.f90\nq-e-qe-7.6/GWW/simple_bse/simple_bse.f90\nq-e-qe-7.6/GWW/simple_bse/simple_eigen.f90\nq-e-qe-7.6/GWW/simple_bse/simple_object.f90\nq-e-qe-7.6/GWW/simple_bse/spectrum.f90\nq-e-qe-7.6/GWW/simple_bse/start_end.f90\nq-e-qe-7.6/GWW/simple_ip/\nq-e-qe-7.6/GWW/simple_ip/Makefile\nq-e-qe-7.6/GWW/simple_ip/diagonalization.f90\nq-e-qe-7.6/GWW/simple_ip/dielectric.f90\nq-e-qe-7.6/GWW/simple_ip/input_simple_ip.f90\nq-e-qe-7.6/GWW/simple_ip/interpolation.f90\nq-e-qe-7.6/GWW/simple_ip/simple_ip.f90\nq-e-qe-7.6/GWW/simple_ip/simple_ip_objects.f90\nq-e-qe-7.6/GWW/simple_ip/start_end.f90\nq-e-qe-7.6/GWW/simple_ip/tetra_mod1.f90\nq-e-qe-7.6/GWW/simple_ip/tetra_mod2.f90\nq-e-qe-7.6/GWW/util/\nq-e-qe-7.6/GWW/util/Makefile\nq-e-qe-7.6/GWW/util/abcoeff_to_eps.f90\nq-e-qe-7.6/GWW/util/graph.f90\nq-e-qe-7.6/GWW/util/memory_pw4gww.f90\nq-e-qe-7.6/HP/\nq-e-qe-7.6/HP/CMakeLists.txt\nq-e-qe-7.6/HP/Doc/\nq-e-qe-7.6/HP/Doc/INPUT_HP.def\nq-e-qe-7.6/HP/Doc/Makefile\nq-e-qe-7.6/HP/Doc/README\nq-e-qe-7.6/HP/Makefile\nq-e-qe-7.6/HP/examples/\nq-e-qe-7.6/HP/examples/README\nq-e-qe-7.6/HP/examples/clean_all\nq-e-qe-7.6/HP/examples/example01/\nq-e-qe-7.6/HP/examples/example01/reference/\nq-e-qe-7.6/HP/examples/example01/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example01/reference/LiCoO2.hp.in\nq-e-qe-7.6/HP/examples/example01/reference/LiCoO2.scf.in\nq-e-qe-7.6/HP/examples/example01/run_example\nq-e-qe-7.6/HP/examples/example02/\nq-e-qe-7.6/HP/examples/example02/README\nq-e-qe-7.6/HP/examples/example02/reference/\nq-e-qe-7.6/HP/examples/example02/reference/NiO.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example02/reference/NiO.hp.in\nq-e-qe-7.6/HP/examples/example02/reference/NiO.scf1.in\nq-e-qe-7.6/HP/examples/example02/reference/NiO.scf2.in\nq-e-qe-7.6/HP/examples/example02/run_example1\nq-e-qe-7.6/HP/examples/example02/run_example2\nq-e-qe-7.6/HP/examples/example03/\nq-e-qe-7.6/HP/examples/example03/reference/\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.hp.in\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.scf1.in\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.scf2.in\nq-e-qe-7.6/HP/examples/example03/run_example\nq-e-qe-7.6/HP/examples/example04/\nq-e-qe-7.6/HP/examples/example04/reference/\nq-e-qe-7.6/HP/examples/example04/reference/Ni.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example04/reference/Ni.hp.in\nq-e-qe-7.6/HP/examples/example04/reference/Ni.scf.in\nq-e-qe-7.6/HP/examples/example04/run_example\nq-e-qe-7.6/HP/examples/example05/\nq-e-qe-7.6/HP/examples/example05/reference/\nq-e-qe-7.6/HP/examples/example05/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example05/reference/LiCoO2.hp.in\nq-e-qe-7.6/HP/examples/example05/reference/LiCoO2.scf.in\nq-e-qe-7.6/HP/examples/example05/run_example\nq-e-qe-7.6/HP/examples/example06/\nq-e-qe-7.6/HP/examples/example06/reference/\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.hp.Mn.in\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.hp.Ni.in\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.hp.final.in\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.scf.in\nq-e-qe-7.6/HP/examples/example06/run_example\nq-e-qe-7.6/HP/examples/example07/\nq-e-qe-7.6/HP/examples/example07/reference/\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step1.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step2.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step3.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step1.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step2.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step3.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.final.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.scf.in\nq-e-qe-7.6/HP/examples/example07/run_example\nq-e-qe-7.6/HP/examples/example08/\nq-e-qe-7.6/HP/examples/example08/reference/\nq-e-qe-7.6/HP/examples/example08/reference/NiO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example08/reference/NiO2.hp.in\nq-e-qe-7.6/HP/examples/example08/reference/NiO2.scf.in\nq-e-qe-7.6/HP/examples/example08/run_example\nq-e-qe-7.6/HP/examples/example09/\nq-e-qe-7.6/HP/examples/example09/reference/\nq-e-qe-7.6/HP/examples/example09/reference/CoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example09/reference/CoO2.hp.in\nq-e-qe-7.6/HP/examples/example09/reference/CoO2.scf.in\nq-e-qe-7.6/HP/examples/example09/run_example\nq-e-qe-7.6/HP/examples/example10/\nq-e-qe-7.6/HP/examples/example10/reference/\nq-e-qe-7.6/HP/examples/example10/reference/HUBBARD.dat\nq-e-qe-7.6/HP/examples/example10/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example10/reference/LiCoO2.hp.in\nq-e-qe-7.6/HP/examples/example10/reference/LiCoO2.scf.in\nq-e-qe-7.6/HP/examples/example10/run_example\nq-e-qe-7.6/HP/examples/run_all_examples\nq-e-qe-7.6/HP/src/\nq-e-qe-7.6/HP/src/Makefile\nq-e-qe-7.6/HP/src/hp_R_points.f90\nq-e-qe-7.6/HP/src/hp_allocate_q.f90\nq-e-qe-7.6/HP/src/hp_bcast_input.f90\nq-e-qe-7.6/HP/src/hp_calc_chi.f90\nq-e-qe-7.6/HP/src/hp_check_pert.f90\nq-e-qe-7.6/HP/src/hp_check_type.f90\nq-e-qe-7.6/HP/src/hp_clean_q.f90\nq-e-qe-7.6/HP/src/hp_close_q.f90\nq-e-qe-7.6/HP/src/hp_dealloc_1.f90\nq-e-qe-7.6/HP/src/hp_dealloc_2.f90\nq-e-qe-7.6/HP/src/hp_dealloc_q.f90\nq-e-qe-7.6/HP/src/hp_dnsq.f90\nq-e-qe-7.6/HP/src/hp_dnstot_sum_q.f90\nq-e-qe-7.6/HP/src/hp_dvpsi_pert.f90\nq-e-qe-7.6/HP/src/hp_find_inequiv_sites.f90\nq-e-qe-7.6/HP/src/hp_generate_grids.f90\nq-e-qe-7.6/HP/src/hp_init.f90\nq-e-qe-7.6/HP/src/hp_init_q.f90\nq-e-qe-7.6/HP/src/hp_load_q.f90\nq-e-qe-7.6/HP/src/hp_main.f90\nq-e-qe-7.6/HP/src/hp_ns_trace.f90\nq-e-qe-7.6/HP/src/hp_openfil_q.f90\nq-e-qe-7.6/HP/src/hp_postproc.f90\nq-e-qe-7.6/HP/src/hp_prepare_q.f90\nq-e-qe-7.6/HP/src/hp_print_clock.f90\nq-e-qe-7.6/HP/src/hp_psym_dmag.f90\nq-e-qe-7.6/HP/src/hp_psymdvscf.f90\nq-e-qe-7.6/HP/src/hp_q_points.f90\nq-e-qe-7.6/HP/src/hp_read_chi.f90\nq-e-qe-7.6/HP/src/hp_read_dnsq.f90\nq-e-qe-7.6/HP/src/hp_readin.f90\nq-e-qe-7.6/HP/src/hp_rotate_dnsq.f90\nq-e-qe-7.6/HP/src/hp_run_nscf.f90\nq-e-qe-7.6/HP/src/hp_setup_q.f90\nq-e-qe-7.6/HP/src/hp_solve_linear_system.f90\nq-e-qe-7.6/HP/src/hp_stop_smoothly.f90\nq-e-qe-7.6/HP/src/hp_summary.f90\nq-e-qe-7.6/HP/src/hp_summary_q.f90\nq-e-qe-7.6/HP/src/hp_sym_dmag.f90\nq-e-qe-7.6/HP/src/hp_symdnsq.f90\nq-e-qe-7.6/HP/src/hp_symdvscf.f90\nq-e-qe-7.6/HP/src/hp_write_chi.f90\nq-e-qe-7.6/HP/src/hp_write_chi_full.f90\nq-e-qe-7.6/HP/src/hp_write_dnsq.f90\nq-e-qe-7.6/HP/src/hpcom.f90\nq-e-qe-7.6/KCW/\nq-e-qe-7.6/KCW/CMakeLists.txt\nq-e-qe-7.6/KCW/Doc/\nq-e-qe-7.6/KCW/Doc/INPUT_kcw.def\nq-e-qe-7.6/KCW/Doc/Makefile\nq-e-qe-7.6/KCW/Doc/input_xx.xsl\nq-e-qe-7.6/KCW/Makefile\nq-e-qe-7.6/KCW/PP/\nq-e-qe-7.6/KCW/PP/CMakeLists.txt\nq-e-qe-7.6/KCW/PP/Makefile\nq-e-qe-7.6/KCW/PP/bcast_kcw_pp_input.f90\nq-e-qe-7.6/KCW/PP/compute_self_hartree.f90\nq-e-qe-7.6/KCW/PP/input_pp_summary.f90\nq-e-qe-7.6/KCW/PP/interp_r_to_k.f90\nq-e-qe-7.6/KCW/PP/kcw_bands.f90\nq-e-qe-7.6/KCW/PP/kcw_pp_readin.f90\nq-e-qe-7.6/KCW/PP/makedeps.sh\nq-e-qe-7.6/KCW/PP/merge_Umat.f90\nq-e-qe-7.6/KCW/PP/merge_wann.f90\nq-e-qe-7.6/KCW/PP/read_hr.f90\nq-e-qe-7.6/KCW/PP/sh_setup.f90\nq-e-qe-7.6/KCW/PP/ups.f90\nq-e-qe-7.6/KCW/diff_7.2-7.1.txt\nq-e-qe-7.6/KCW/diff_wrt_v7.1.txt\nq-e-qe-7.6/KCW/examples/\nq-e-qe-7.6/KCW/examples/.gitignore\nq-e-qe-7.6/KCW/examples/example01/\nq-e-qe-7.6/KCW/examples/example01/README\nq-e-qe-7.6/KCW/examples/example01/compare.sh\nq-e-qe-7.6/KCW/examples/example01/reference/\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example01/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example01/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example01/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example01/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example01/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example01/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example01/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example01/run_example\nq-e-qe-7.6/KCW/examples/example01_sym/\nq-e-qe-7.6/KCW/examples/example01_sym/README\nq-e-qe-7.6/KCW/examples/example01_sym/compare.sh\nq-e-qe-7.6/KCW/examples/example01_sym/compare_nosym.sh\nq-e-qe-7.6/KCW/examples/example01_sym/reference/\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example01_sym/run_example\nq-e-qe-7.6/KCW/examples/example02/\nq-e-qe-7.6/KCW/examples/example02/README\nq-e-qe-7.6/KCW/examples/example02/compare.sh\nq-e-qe-7.6/KCW/examples/example02/reference/\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.scf.out\nq-e-qe-7.6/KCW/examples/example02/run_example\nq-e-qe-7.6/KCW/examples/example03/\nq-e-qe-7.6/KCW/examples/example03/compare.sh\nq-e-qe-7.6/KCW/examples/example03/reference/\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcwpp_bands.dat\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcwpp_interp.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcwpp_sh.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example03/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example03/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example03/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example03/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example03/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example03/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example03/run_example\nq-e-qe-7.6/KCW/examples/example04/\nq-e-qe-7.6/KCW/examples/example04/README\nq-e-qe-7.6/KCW/examples/example04/compare.sh\nq-e-qe-7.6/KCW/examples/example04/reference/\nq-e-qe-7.6/KCW/examples/example04/reference/GaAs.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example04/reference/GaAs.nscf.out\nq-e-qe-7.6/KCW/examples/example04/reference/GaAs.scf.out\nq-e-qe-7.6/KCW/examples/example04/reference/kc.kho\nq-e-qe-7.6/KCW/examples/example04/reference/kc.w2ko\nq-e-qe-7.6/KCW/examples/example04/reference/merge_U.out\nq-e-qe-7.6/KCW/examples/example04/reference/merge_centres.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_u.mat\nq-e-qe-7.6/KCW/examples/example04/reference_1block/\nq-e-qe-7.6/KCW/examples/example04/reference_1block/GaAs.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example04/reference_1block/GaAs.nscf.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/GaAs.scf.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/kc.kho\nq-e-qe-7.6/KCW/examples/example04/reference_1block/kc.w2ko\nq-e-qe-7.6/KCW/examples/example04/reference_1block/merge_U.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/merge_centres.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_u.mat\nq-e-qe-7.6/KCW/examples/example04/run_example\nq-e-qe-7.6/KCW/examples/example04/run_example_1block\nq-e-qe-7.6/KCW/examples/example05.1/\nq-e-qe-7.6/KCW/examples/example05.1/README.md\nq-e-qe-7.6/KCW/examples/example05.1/clean_all.sh\nq-e-qe-7.6/KCW/examples/example05.1/compare.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/CRASH\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/CRASH\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/.kc.w2ko.swp\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/pseudo/\nq-e-qe-7.6/KCW/examples/example05.1/pseudo/Si.upf\nq-e-qe-7.6/KCW/examples/example05.1/pseudo/Si_r.upf\nq-e-qe-7.6/KCW/examples/example05.1/run_all.sh\nq-e-qe-7.6/KCW/examples/example05/\nq-e-qe-7.6/KCW/examples/example05/compare.sh\nq-e-qe-7.6/KCW/examples/example05/reference/\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example05/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example05/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example05/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example05/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example05/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example05/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example05/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example05/run_example\nq-e-qe-7.6/KCW/examples/example06/\nq-e-qe-7.6/KCW/examples/example06/README\nq-e-qe-7.6/KCW/examples/example06/compare.sh\nq-e-qe-7.6/KCW/examples/example06/reference/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/file_alpharef.txt\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_U.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_U_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_centre.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_centre_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_emp_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_emp_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/cri3.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/cri3.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/cri3.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/file_alpharef.txt\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_U.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_U_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_centre.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_centre_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_emp_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_emp_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/cri3.scf.out\nq-e-qe-7.6/KCW/examples/example06/run_example\nq-e-qe-7.6/KCW/examples/run_all.sh\nq-e-qe-7.6/KCW/examples/test_io/\nq-e-qe-7.6/KCW/examples/test_io/README\nq-e-qe-7.6/KCW/examples/test_io/example01/\nq-e-qe-7.6/KCW/examples/test_io/example01/compare.sh\nq-e-qe-7.6/KCW/examples/test_io/example01/run_example\nq-e-qe-7.6/KCW/examples/test_io/example02/\nq-e-qe-7.6/KCW/examples/test_io/example02/compare.sh\nq-e-qe-7.6/KCW/examples/test_io/example02/run_example\nq-e-qe-7.6/KCW/examples/test_io/example03/\nq-e-qe-7.6/KCW/examples/test_io/example03/compare.sh\nq-e-qe-7.6/KCW/examples/test_io/example03/run_example\nq-e-qe-7.6/KCW/examples/test_io/run_all.sh\nq-e-qe-7.6/KCW/kcw.md\nq-e-qe-7.6/KCW/src/\nq-e-qe-7.6/KCW/src/CMakeLists.txt\nq-e-qe-7.6/KCW/src/Makefile\nq-e-qe-7.6/KCW/src/alpha_corr.f90\nq-e-qe-7.6/KCW/src/apply_u_matrix.f90\nq-e-qe-7.6/KCW/src/bare_pot.f90\nq-e-qe-7.6/KCW/src/bcast_kcw_input.f90\nq-e-qe-7.6/KCW/src/bcast_wfc.f90\nq-e-qe-7.6/KCW/src/calculate_phase.f90\nq-e-qe-7.6/KCW/src/clean_pw_kcw.f90\nq-e-qe-7.6/KCW/src/close_kcw.f90\nq-e-qe-7.6/KCW/src/compute_map_ikq.f90\nq-e-qe-7.6/KCW/src/compute_map_ikq_single.f90\nq-e-qe-7.6/KCW/src/convert_kpts_names.f90\nq-e-qe-7.6/KCW/src/coulomb.f90\nq-e-qe-7.6/KCW/src/find_IBZ_q.f90\nq-e-qe-7.6/KCW/src/full_ham.f90\nq-e-qe-7.6/KCW/src/group_orbitals.f90\nq-e-qe-7.6/KCW/src/ham_R0_2nd.f90\nq-e-qe-7.6/KCW/src/hamilt.f90\nq-e-qe-7.6/KCW/src/input_summary.f90\nq-e-qe-7.6/KCW/src/interpolation.f90\nq-e-qe-7.6/KCW/src/kcw.f90\nq-e-qe-7.6/KCW/src/kcw_R_points.f90\nq-e-qe-7.6/KCW/src/kcw_allocate_q.f90\nq-e-qe-7.6/KCW/src/kcw_comm.f90\nq-e-qe-7.6/KCW/src/kcw_deallocate_q.f90\nq-e-qe-7.6/KCW/src/kcw_deallocate_symmetry_arrays.f90\nq-e-qe-7.6/KCW/src/kcw_ham.f90\nq-e-qe-7.6/KCW/src/kcw_init_q.f90\nq-e-qe-7.6/KCW/src/kcw_initialize_ph.f90\nq-e-qe-7.6/KCW/src/kcw_io_new.f90\nq-e-qe-7.6/KCW/src/kcw_kpoint_grid.f90\nq-e-qe-7.6/KCW/src/kcw_openfilq.f90\nq-e-qe-7.6/KCW/src/kcw_prepare_q.f90\nq-e-qe-7.6/KCW/src/kcw_q_setup.f90\nq-e-qe-7.6/KCW/src/kcw_read_sym.f90\nq-e-qe-7.6/KCW/src/kcw_readin.f90\nq-e-qe-7.6/KCW/src/kcw_run_nscf.f90\nq-e-qe-7.6/KCW/src/kcw_screen.f90\nq-e-qe-7.6/KCW/src/kcw_setup.f90\nq-e-qe-7.6/KCW/src/kcw_setup_ham.f90\nq-e-qe-7.6/KCW/src/kcw_setup_screen.f90\nq-e-qe-7.6/KCW/src/kcw_write_sym.f90\nq-e-qe-7.6/KCW/src/koopmans_ham.f90\nq-e-qe-7.6/KCW/src/ks_hamiltonian.f90\nq-e-qe-7.6/KCW/src/makedeps.sh\nq-e-qe-7.6/KCW/src/print_clock_kcw.f90\nq-e-qe-7.6/KCW/src/read_alpha.f90\nq-e-qe-7.6/KCW/src/read_qlist_ibz.f90\nq-e-qe-7.6/KCW/src/read_wannier.f90\nq-e-qe-7.6/KCW/src/rho_of_q.f90\nq-e-qe-7.6/KCW/src/rotate_ks.f90\nq-e-qe-7.6/KCW/src/screen_coeff.f90\nq-e-qe-7.6/KCW/src/self_hartree.f90\nq-e-qe-7.6/KCW/src/setup_coulomb.f90\nq-e-qe-7.6/KCW/src/setup_coulomb_exx.f90\nq-e-qe-7.6/KCW/src/solve_linter_koop_mod.f90\nq-e-qe-7.6/KCW/src/structure_factor.f90\nq-e-qe-7.6/KCW/src/wann2kcw.f90\nq-e-qe-7.6/KCW/src/write_hr_to_file.f90\nq-e-qe-7.6/KCW/src/write_qlist_ibz.f90\nq-e-qe-7.6/KS_Solvers/\nq-e-qe-7.6/KS_Solvers/CG/\nq-e-qe-7.6/KS_Solvers/CG/Makefile\nq-e-qe-7.6/KS_Solvers/CG/ccgdiagg.f90\nq-e-qe-7.6/KS_Solvers/CG/rcgdiagg.f90\nq-e-qe-7.6/KS_Solvers/CMakeLists.txt\nq-e-qe-7.6/KS_Solvers/DENSE/\nq-e-qe-7.6/KS_Solvers/DENSE/Makefile\nq-e-qe-7.6/KS_Solvers/DENSE/gram_schmidt_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/gram_schmidt_k.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_HSpsi_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_HSpsi_k.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_driver.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_wfc_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_wfc_k.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_xpsi_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_xpsi_k.f90\nq-e-qe-7.6/KS_Solvers/Davidson/\nq-e-qe-7.6/KS_Solvers/Davidson/Makefile\nq-e-qe-7.6/KS_Solvers/Davidson/cegterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson/pcegterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson/pregterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson/regterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson_RCI/\nq-e-qe-7.6/KS_Solvers/Davidson_RCI/Makefile\nq-e-qe-7.6/KS_Solvers/Davidson_RCI/david_rci.f90\nq-e-qe-7.6/KS_Solvers/Direct/\nq-e-qe-7.6/KS_Solvers/Direct/Makefile\nq-e-qe-7.6/KS_Solvers/Direct/direct_diag_k.f90\nq-e-qe-7.6/KS_Solvers/Makefile\nq-e-qe-7.6/KS_Solvers/ParO/\nq-e-qe-7.6/KS_Solvers/ParO/Makefile\nq-e-qe-7.6/KS_Solvers/ParO/bpcg_gamma.f90\nq-e-qe-7.6/KS_Solvers/ParO/bpcg_k.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_gamma.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_gamma_new.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_k.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_k_new.f90\nq-e-qe-7.6/KS_Solvers/ParO/pcg_gamma.f90\nq-e-qe-7.6/KS_Solvers/ParO/pcg_k.f90\nq-e-qe-7.6/KS_Solvers/RMM/\nq-e-qe-7.6/KS_Solvers/RMM/Makefile\nq-e-qe-7.6/KS_Solvers/RMM/crmmdiagg.f90\nq-e-qe-7.6/KS_Solvers/RMM/rrmmdiagg.f90\nq-e-qe-7.6/KS_Solvers/ks_solver_interfaces.h\nq-e-qe-7.6/LAXlib/\nq-e-qe-7.6/LAXlib/CMakeLists.txt\nq-e-qe-7.6/LAXlib/Makefile\nq-e-qe-7.6/LAXlib/README.TEST\nq-e-qe-7.6/LAXlib/cdiagh.f90\nq-e-qe-7.6/LAXlib/cdiaghg.f90\nq-e-qe-7.6/LAXlib/distools.f90\nq-e-qe-7.6/LAXlib/dspev_drv.f90\nq-e-qe-7.6/LAXlib/la_error.f90\nq-e-qe-7.6/LAXlib/la_helper.f90\nq-e-qe-7.6/LAXlib/la_module.f90\nq-e-qe-7.6/LAXlib/la_param.f90\nq-e-qe-7.6/LAXlib/la_types.f90\nq-e-qe-7.6/LAXlib/laxlib.h\nq-e-qe-7.6/LAXlib/laxlib_hi.h\nq-e-qe-7.6/LAXlib/laxlib_kinds.h\nq-e-qe-7.6/LAXlib/laxlib_low.h\nq-e-qe-7.6/LAXlib/laxlib_mid.h\nq-e-qe-7.6/LAXlib/laxlib_param.h\nq-e-qe-7.6/LAXlib/mp_diag.f90\nq-e-qe-7.6/LAXlib/ptoolkit.f90\nq-e-qe-7.6/LAXlib/rdiagh.f90\nq-e-qe-7.6/LAXlib/rdiaghg.f90\nq-e-qe-7.6/LAXlib/test.f90\nq-e-qe-7.6/LAXlib/tests/\nq-e-qe-7.6/LAXlib/tests/.gitattributes\nq-e-qe-7.6/LAXlib/tests/CMakeLists.txt\nq-e-qe-7.6/LAXlib/tests/Makefile\nq-e-qe-7.6/LAXlib/tests/README.md\nq-e-qe-7.6/LAXlib/tests/ZnOG1.bin\nq-e-qe-7.6/LAXlib/tests/ZnOG2.bin\nq-e-qe-7.6/LAXlib/tests/ZnOK1.bin\nq-e-qe-7.6/LAXlib/tests/ZnOK2.bin\nq-e-qe-7.6/LAXlib/tests/mp_world.f90\nq-e-qe-7.6/LAXlib/tests/test_diagh_1.f90\nq-e-qe-7.6/LAXlib/tests/test_diagh_2.f90\nq-e-qe-7.6/LAXlib/tests/test_diagh_4.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_1.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_2.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_3.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_4.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_1.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_2.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_3.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_4.f90\nq-e-qe-7.6/LAXlib/tests/test_helpers.f90\nq-e-qe-7.6/LAXlib/tests/test_io.f90\nq-e-qe-7.6/LAXlib/tests/test_lapack_zdotc.f90\nq-e-qe-7.6/LAXlib/tests/tester.f90\nq-e-qe-7.6/LAXlib/tests/utils.f90\nq-e-qe-7.6/LAXlib/transto.f90\nq-e-qe-7.6/LAXlib/zhpev_drv.f90\nq-e-qe-7.6/LR_Modules/\nq-e-qe-7.6/LR_Modules/CMakeLists.txt\nq-e-qe-7.6/LR_Modules/Coul_cut_2D_ph.f90\nq-e-qe-7.6/LR_Modules/Makefile\nq-e-qe-7.6/LR_Modules/adddvepsi_us.f90\nq-e-qe-7.6/LR_Modules/adddvhubscf.f90\nq-e-qe-7.6/LR_Modules/adddvscf.f90\nq-e-qe-7.6/LR_Modules/addusdbec.f90\nq-e-qe-7.6/LR_Modules/addusdbec_nc.f90\nq-e-qe-7.6/LR_Modules/addusldos.f90\nq-e-qe-7.6/LR_Modules/apply_dpot.f90\nq-e-qe-7.6/LR_Modules/apply_dpot_mod.f90\nq-e-qe-7.6/LR_Modules/apply_trev.f90\nq-e-qe-7.6/LR_Modules/c_bands_ph.f90\nq-e-qe-7.6/LR_Modules/ccg_psi.f90\nq-e-qe-7.6/LR_Modules/ccgsolve_all.f90\nq-e-qe-7.6/LR_Modules/cft_wave.f90\nq-e-qe-7.6/LR_Modules/cg_psi.f90\nq-e-qe-7.6/LR_Modules/cgsolve_all.f90\nq-e-qe-7.6/LR_Modules/ch_psi_all.f90\nq-e-qe-7.6/LR_Modules/ch_psi_all_complex.f90\nq-e-qe-7.6/LR_Modules/check_q_points_sym.f90\nq-e-qe-7.6/LR_Modules/compute_vsgga.f90\nq-e-qe-7.6/LR_Modules/dfpt_kernels.f90\nq-e-qe-7.6/LR_Modules/dfpt_tetra_mod.f90\nq-e-qe-7.6/LR_Modules/dfpt_type.f90\nq-e-qe-7.6/LR_Modules/dgradcorr.f90\nq-e-qe-7.6/LR_Modules/dnonloccorr.f90\nq-e-qe-7.6/LR_Modules/dnsq_scf.f90\nq-e-qe-7.6/LR_Modules/dv_of_drho.f90\nq-e-qe-7.6/LR_Modules/dv_rVV10.f90\nq-e-qe-7.6/LR_Modules/dv_vdW_DF.f90\nq-e-qe-7.6/LR_Modules/dynmat_sub.f90\nq-e-qe-7.6/LR_Modules/efermi_shift.f90\nq-e-qe-7.6/LR_Modules/h_prec.f90\nq-e-qe-7.6/LR_Modules/h_prec_freq.f90\nq-e-qe-7.6/LR_Modules/incdrhoscf_mod.f90\nq-e-qe-7.6/LR_Modules/lanczos_nonhermitian.f90\nq-e-qe-7.6/LR_Modules/lanczos_nonhermitian_c.f90\nq-e-qe-7.6/LR_Modules/lanczos_pseudohermitian.f90\nq-e-qe-7.6/LR_Modules/lanczos_pseudohermitian_c.f90\nq-e-qe-7.6/LR_Modules/localdos.f90\nq-e-qe-7.6/LR_Modules/lr_addusddens.f90\nq-e-qe-7.6/LR_Modules/lr_dot.f90\nq-e-qe-7.6/LR_Modules/lr_dot_magnons.f90\nq-e-qe-7.6/LR_Modules/lr_nc_mag.f90\nq-e-qe-7.6/LR_Modules/lr_orthoUwfc.f90\nq-e-qe-7.6/LR_Modules/lr_restart.f90\nq-e-qe-7.6/LR_Modules/lr_sm1_psi.f90\nq-e-qe-7.6/LR_Modules/lr_sym_mod.f90\nq-e-qe-7.6/LR_Modules/lr_sym_paw.f90\nq-e-qe-7.6/LR_Modules/lr_two_chem.f90\nq-e-qe-7.6/LR_Modules/lrcom.f90\nq-e-qe-7.6/LR_Modules/mix_pot.f90\nq-e-qe-7.6/LR_Modules/mode_group.f90\nq-e-qe-7.6/LR_Modules/newdq.f90\nq-e-qe-7.6/LR_Modules/non_scf_ph.f90\nq-e-qe-7.6/LR_Modules/orthogonalize.f90\nq-e-qe-7.6/LR_Modules/orthogonalize_omega.f90\nq-e-qe-7.6/LR_Modules/psymdvscf.f90\nq-e-qe-7.6/LR_Modules/qdipol_cryst.f90\nq-e-qe-7.6/LR_Modules/qpoint.f90\nq-e-qe-7.6/LR_Modules/response_kernels.f90\nq-e-qe-7.6/LR_Modules/set_dbecsum_nc.f90\nq-e-qe-7.6/LR_Modules/set_int3_nc.f90\nq-e-qe-7.6/LR_Modules/set_intq_nc.f90\nq-e-qe-7.6/LR_Modules/set_kplusq_nc.f90\nq-e-qe-7.6/LR_Modules/set_small_group_of_q.f90\nq-e-qe-7.6/LR_Modules/setqmod.f90\nq-e-qe-7.6/LR_Modules/setup_alpha_pv.f90\nq-e-qe-7.6/LR_Modules/setup_dgc.f90\nq-e-qe-7.6/LR_Modules/setup_dmuxc.f90\nq-e-qe-7.6/LR_Modules/setup_nbnd_occ.f90\nq-e-qe-7.6/LR_Modules/setup_nscf.f90\nq-e-qe-7.6/LR_Modules/sgam_lr.f90\nq-e-qe-7.6/LR_Modules/smallgq.f90\nq-e-qe-7.6/LR_Modules/star_q.f90\nq-e-qe-7.6/LR_Modules/sym_def.f90\nq-e-qe-7.6/LR_Modules/sym_dmag.f90\nq-e-qe-7.6/LR_Modules/sym_dns.f90\nq-e-qe-7.6/LR_Modules/symdvscf.f90\nq-e-qe-7.6/LR_Modules/twochem_postproc_dfpt.f90\nq-e-qe-7.6/License\nq-e-qe-7.6/Makefile\nq-e-qe-7.6/Modules/\nq-e-qe-7.6/Modules/CMakeLists.txt\nq-e-qe-7.6/Modules/Makefile\nq-e-qe-7.6/Modules/additional_kpoints.f90\nq-e-qe-7.6/Modules/allocate_fft_3drism.f90\nq-e-qe-7.6/Modules/atom_weight.f90\nq-e-qe-7.6/Modules/atomic_wfc_mod.f90\nq-e-qe-7.6/Modules/autopilot.f90\nq-e-qe-7.6/Modules/basic_algebra_routines.f90\nq-e-qe-7.6/Modules/becmod.f90\nq-e-qe-7.6/Modules/bfgs_module.f90\nq-e-qe-7.6/Modules/bspline.f90\nq-e-qe-7.6/Modules/bz_form.f90\nq-e-qe-7.6/Modules/cell_base.f90\nq-e-qe-7.6/Modules/cell_nose.f90\nq-e-qe-7.6/Modules/check_stop.f90\nq-e-qe-7.6/Modules/chempot.f90\nq-e-qe-7.6/Modules/chempot_lauerism.f90\nq-e-qe-7.6/Modules/closure.f90\nq-e-qe-7.6/Modules/command_line_options.f90\nq-e-qe-7.6/Modules/compute_dipole.f90\nq-e-qe-7.6/Modules/constants.f90\nq-e-qe-7.6/Modules/constraints_module.f90\nq-e-qe-7.6/Modules/control_flags.f90\nq-e-qe-7.6/Modules/copy_order_um_from_xml.f90\nq-e-qe-7.6/Modules/corrdipole_laue.f90\nq-e-qe-7.6/Modules/correctat0_vv.f90\nq-e-qe-7.6/Modules/corrgxy0_laue.f90\nq-e-qe-7.6/Modules/coulomb_vcut.f90\nq-e-qe-7.6/Modules/cryst_to_car.f90\nq-e-qe-7.6/Modules/cryst_to_car_2d.f90\nq-e-qe-7.6/Modules/customize_signals.c\nq-e-qe-7.6/Modules/data_structure_3drism.f90\nq-e-qe-7.6/Modules/date_and_tim.f90\nq-e-qe-7.6/Modules/deviatoric.f90\nq-e-qe-7.6/Modules/dist.f90\nq-e-qe-7.6/Modules/do_1drism.f90\nq-e-qe-7.6/Modules/do_3drism.f90\nq-e-qe-7.6/Modules/do_lauerism.f90\nq-e-qe-7.6/Modules/electrons_base.f90\nq-e-qe-7.6/Modules/environ_api_stub.f90\nq-e-qe-7.6/Modules/environ_base_module.f90\nq-e-qe-7.6/Modules/environment.f90\nq-e-qe-7.6/Modules/eqn_1drism.f90\nq-e-qe-7.6/Modules/eqn_3drism.f90\nq-e-qe-7.6/Modules/eqn_lauedipole.f90\nq-e-qe-7.6/Modules/eqn_lauegxy0.f90\nq-e-qe-7.6/Modules/eqn_lauelong.f90\nq-e-qe-7.6/Modules/eqn_lauerism.f90\nq-e-qe-7.6/Modules/eqn_laueshort.f90\nq-e-qe-7.6/Modules/eqn_lauevoid.f90\nq-e-qe-7.6/Modules/err_rism.f90\nq-e-qe-7.6/Modules/expint.f90\nq-e-qe-7.6/Modules/extffield.f90\nq-e-qe-7.6/Modules/fd_gradient.f90\nq-e-qe-7.6/Modules/fft_base.f90\nq-e-qe-7.6/Modules/fft_rho.f90\nq-e-qe-7.6/Modules/fft_wave.f90\nq-e-qe-7.6/Modules/fox_init_module.f90\nq-e-qe-7.6/Modules/fsockets.f90\nq-e-qe-7.6/Modules/funct.f90\nq-e-qe-7.6/Modules/generate_function.f90\nq-e-qe-7.6/Modules/generate_k_along_lines.f90\nq-e-qe-7.6/Modules/gradutils.f90\nq-e-qe-7.6/Modules/guess_3drism.f90\nq-e-qe-7.6/Modules/gvecw.f90\nq-e-qe-7.6/Modules/has_xml.f90\nq-e-qe-7.6/Modules/hdf5_qe.f90\nq-e-qe-7.6/Modules/init_1drism.f90\nq-e-qe-7.6/Modules/init_3drism.f90\nq-e-qe-7.6/Modules/inpfile.f90\nq-e-qe-7.6/Modules/input_1drism.f90\nq-e-qe-7.6/Modules/input_3drism.f90\nq-e-qe-7.6/Modules/input_parameters.f90\nq-e-qe-7.6/Modules/int_to_char.f90\nq-e-qe-7.6/Modules/invmat.f90\nq-e-qe-7.6/Modules/io_base.f90\nq-e-qe-7.6/Modules/io_files.f90\nq-e-qe-7.6/Modules/io_global.f90\nq-e-qe-7.6/Modules/io_rism_xml.f90\nq-e-qe-7.6/Modules/ions_base.f90\nq-e-qe-7.6/Modules/ions_nose.f90\nq-e-qe-7.6/Modules/kind.f90\nq-e-qe-7.6/Modules/latgen.f90\nq-e-qe-7.6/Modules/lauefft.f90\nq-e-qe-7.6/Modules/lauefft_subs.f90\nq-e-qe-7.6/Modules/linpack.f90\nq-e-qe-7.6/Modules/lj_forcefield.f90\nq-e-qe-7.6/Modules/lj_solute.f90\nq-e-qe-7.6/Modules/lmdif.f90\nq-e-qe-7.6/Modules/makov_payne.f90\nq-e-qe-7.6/Modules/mbdlib.f90\nq-e-qe-7.6/Modules/mdiis.f90\nq-e-qe-7.6/Modules/mm_dispersion.f90\nq-e-qe-7.6/Modules/molebridge_vv.f90\nq-e-qe-7.6/Modules/molecorr_vv.f90\nq-e-qe-7.6/Modules/molecule_const.f90\nq-e-qe-7.6/Modules/molecule_types.f90\nq-e-qe-7.6/Modules/more_functionals.f90\nq-e-qe-7.6/Modules/mp_bands.f90\nq-e-qe-7.6/Modules/mp_exx.f90\nq-e-qe-7.6/Modules/mp_global.f90\nq-e-qe-7.6/Modules/mp_images.f90\nq-e-qe-7.6/Modules/mp_pools.f90\nq-e-qe-7.6/Modules/mp_rism.f90\nq-e-qe-7.6/Modules/mp_swap_ax_rism.f90\nq-e-qe-7.6/Modules/mp_wave.f90\nq-e-qe-7.6/Modules/mp_world.f90\nq-e-qe-7.6/Modules/noncol.f90\nq-e-qe-7.6/Modules/normalize_lauerism.f90\nq-e-qe-7.6/Modules/open_close_input_file.f90\nq-e-qe-7.6/Modules/parameters.f90\nq-e-qe-7.6/Modules/parser.f90\nq-e-qe-7.6/Modules/plot_io.f90\nq-e-qe-7.6/Modules/plot_rism.f90\nq-e-qe-7.6/Modules/plugin_arguments.f90\nq-e-qe-7.6/Modules/plugin_flags.f90\nq-e-qe-7.6/Modules/plugin_variables.f90\nq-e-qe-7.6/Modules/potential_3drism.f90\nq-e-qe-7.6/Modules/potential_esm.f90\nq-e-qe-7.6/Modules/potential_vv.f90\nq-e-qe-7.6/Modules/print_chempot_3drism.f90\nq-e-qe-7.6/Modules/print_chempot_lauerism.f90\nq-e-qe-7.6/Modules/print_chempot_vv.f90\nq-e-qe-7.6/Modules/print_corr_vv.f90\nq-e-qe-7.6/Modules/print_solvavg.f90\nq-e-qe-7.6/Modules/printout_base.f90\nq-e-qe-7.6/Modules/pw_dot.f90\nq-e-qe-7.6/Modules/qeh5_module.f90\nq-e-qe-7.6/Modules/qes_bcast_module.f90\nq-e-qe-7.6/Modules/qes_init_module.f90\nq-e-qe-7.6/Modules/qes_libs_module.f90\nq-e-qe-7.6/Modules/qes_read_module.f90\nq-e-qe-7.6/Modules/qes_reset_module.f90\nq-e-qe-7.6/Modules/qes_types_module.f90\nq-e-qe-7.6/Modules/qes_write_module.f90\nq-e-qe-7.6/Modules/qexsd.f90\nq-e-qe-7.6/Modules/qexsd_copy.f90\nq-e-qe-7.6/Modules/qexsd_init.f90\nq-e-qe-7.6/Modules/qexsd_input.f90\nq-e-qe-7.6/Modules/qmmm.f90\nq-e-qe-7.6/Modules/qmmm_aux.c\nq-e-qe-7.6/Modules/radfft.f90\nq-e-qe-7.6/Modules/radial_gradients.f90\nq-e-qe-7.6/Modules/random_numbers.f90\nq-e-qe-7.6/Modules/random_numbers_gpu.f90\nq-e-qe-7.6/Modules/read_cards.f90\nq-e-qe-7.6/Modules/read_input.f90\nq-e-qe-7.6/Modules/read_mol.f90\nq-e-qe-7.6/Modules/read_namelists.f90\nq-e-qe-7.6/Modules/read_pseudo.f90\nq-e-qe-7.6/Modules/read_solv.f90\nq-e-qe-7.6/Modules/recips.f90\nq-e-qe-7.6/Modules/recvec.f90\nq-e-qe-7.6/Modules/recvec_3drism.f90\nq-e-qe-7.6/Modules/recvec_subs.f90\nq-e-qe-7.6/Modules/remove_tot_torque.f90\nq-e-qe-7.6/Modules/rgen.f90\nq-e-qe-7.6/Modules/rism.f90\nq-e-qe-7.6/Modules/rism1d_facade.f90\nq-e-qe-7.6/Modules/rism3d_facade.f90\nq-e-qe-7.6/Modules/rms_residual.f90\nq-e-qe-7.6/Modules/run_info.f90\nq-e-qe-7.6/Modules/scale_fft_3drism.f90\nq-e-qe-7.6/Modules/scale_fft_lauerism.f90\nq-e-qe-7.6/Modules/set_para_diag.f90\nq-e-qe-7.6/Modules/set_signal.f90\nq-e-qe-7.6/Modules/set_vdw_corr.f90\nq-e-qe-7.6/Modules/setqf.f90\nq-e-qe-7.6/Modules/sockets.c\nq-e-qe-7.6/Modules/solute.f90\nq-e-qe-7.6/Modules/solvation_3drism.f90\nq-e-qe-7.6/Modules/solvation_esm.f90\nq-e-qe-7.6/Modules/solvation_force.f90\nq-e-qe-7.6/Modules/solvation_lauerism.f90\nq-e-qe-7.6/Modules/solvation_pbc.f90\nq-e-qe-7.6/Modules/solvation_stress.f90\nq-e-qe-7.6/Modules/solvavg.f90\nq-e-qe-7.6/Modules/solvmol.f90\nq-e-qe-7.6/Modules/sort.f90\nq-e-qe-7.6/Modules/space_group.f90\nq-e-qe-7.6/Modules/summary_1drism.f90\nq-e-qe-7.6/Modules/summary_3drism.f90\nq-e-qe-7.6/Modules/suscept_g0.f90\nq-e-qe-7.6/Modules/suscept_laue.f90\nq-e-qe-7.6/Modules/suscept_laueint.f90\nq-e-qe-7.6/Modules/suscept_vv.f90\nq-e-qe-7.6/Modules/timestep.f90\nq-e-qe-7.6/Modules/trimcheck.f90\nq-e-qe-7.6/Modules/tsvdw.f90\nq-e-qe-7.6/Modules/version.f90\nq-e-qe-7.6/Modules/volume.f90\nq-e-qe-7.6/Modules/w0gauss.f90\nq-e-qe-7.6/Modules/w1gauss.f90\nq-e-qe-7.6/Modules/wannier_gw.f90\nq-e-qe-7.6/Modules/wannier_new.f90\nq-e-qe-7.6/Modules/wave_gauge.f90\nq-e-qe-7.6/Modules/wavefunctions.f90\nq-e-qe-7.6/Modules/wgauss.f90\nq-e-qe-7.6/Modules/write_rism_type.f90\nq-e-qe-7.6/Modules/ws_base.f90\nq-e-qe-7.6/Modules/wyckoff.f90\nq-e-qe-7.6/Modules/wypos.f90\nq-e-qe-7.6/Modules/xc_rVV10.f90\nq-e-qe-7.6/Modules/xc_vdW_DF.f90\nq-e-qe-7.6/Modules/xml_io_rism.f90\nq-e-qe-7.6/Modules/xsf.f90\nq-e-qe-7.6/Modules/zvscal.f90\nq-e-qe-7.6/NEB/\nq-e-qe-7.6/NEB/CMakeLists.txt\nq-e-qe-7.6/NEB/Doc/\nq-e-qe-7.6/NEB/Doc/INPUT_NEB.def\nq-e-qe-7.6/NEB/Doc/Makefile\nq-e-qe-7.6/NEB/Doc/user_guide.pdf\nq-e-qe-7.6/NEB/Doc/user_guide.tex\nq-e-qe-7.6/NEB/Makefile\nq-e-qe-7.6/NEB/examples/\nq-e-qe-7.6/NEB/examples/ESM_example/\nq-e-qe-7.6/NEB/examples/ESM_example/README\nq-e-qe-7.6/NEB/examples/ESM_example/reference/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_1/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_1/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_2/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_2/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_3/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_3/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_4/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_4/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_5/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_5/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/run_example\nq-e-qe-7.6/NEB/examples/ESM_example/run_example_ESM\nq-e-qe-7.6/NEB/examples/ESM_example/run_example_FCP\nq-e-qe-7.6/NEB/examples/ESM_example/run_example_GCSCF\nq-e-qe-7.6/NEB/examples/check-neb.x.j\nq-e-qe-7.6/NEB/examples/clean_all\nq-e-qe-7.6/NEB/examples/example01/\nq-e-qe-7.6/NEB/examples/example01/README\nq-e-qe-7.6/NEB/examples/example01/reference/\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.axsf\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.dat\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.int\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.out\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.path\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.xyz\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.axsf\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.dat\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.int\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.out\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.path\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.xyz\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.axsf\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.dat\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.int\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.out\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.path\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.xyz\nq-e-qe-7.6/NEB/examples/example01/run_example\nq-e-qe-7.6/NEB/examples/neb0.in\nq-e-qe-7.6/NEB/examples/neb0.ref\nq-e-qe-7.6/NEB/examples/neb1.in\nq-e-qe-7.6/NEB/examples/neb1.ref\nq-e-qe-7.6/NEB/examples/neb2.in\nq-e-qe-7.6/NEB/examples/neb2.ref\nq-e-qe-7.6/NEB/src/\nq-e-qe-7.6/NEB/src/Makefile\nq-e-qe-7.6/NEB/src/bcast_file.f90\nq-e-qe-7.6/NEB/src/compute_scf.f90\nq-e-qe-7.6/NEB/src/engine_to_path_alat.f90\nq-e-qe-7.6/NEB/src/engine_to_path_fix_atom_pos.f90\nq-e-qe-7.6/NEB/src/engine_to_path_nat.f90\nq-e-qe-7.6/NEB/src/engine_to_path_pos.f90\nq-e-qe-7.6/NEB/src/engine_to_path_tot_charge.f90\nq-e-qe-7.6/NEB/src/fcp_opt_routines.f90\nq-e-qe-7.6/NEB/src/fcp_variables.f90\nq-e-qe-7.6/NEB/src/gcscf_variables.f90\nq-e-qe-7.6/NEB/src/neb.f90\nq-e-qe-7.6/NEB/src/neb_input.f90\nq-e-qe-7.6/NEB/src/path_base.f90\nq-e-qe-7.6/NEB/src/path_formats.f90\nq-e-qe-7.6/NEB/src/path_gen_inputs.f90\nq-e-qe-7.6/NEB/src/path_input_parameters_module.f90\nq-e-qe-7.6/NEB/src/path_interpolation.f90\nq-e-qe-7.6/NEB/src/path_io_routines.f90\nq-e-qe-7.6/NEB/src/path_io_tools.f90\nq-e-qe-7.6/NEB/src/path_io_units_module.f90\nq-e-qe-7.6/NEB/src/path_opt_routines.f90\nq-e-qe-7.6/NEB/src/path_read_cards_module.f90\nq-e-qe-7.6/NEB/src/path_read_namelists_module.f90\nq-e-qe-7.6/NEB/src/path_reparametrisation.f90\nq-e-qe-7.6/NEB/src/path_to_engine_fix_atom_pos.f90\nq-e-qe-7.6/NEB/src/path_variables.f90\nq-e-qe-7.6/NEB/src/set_defaults.f90\nq-e-qe-7.6/NEB/src/stop_run_path.f90\nq-e-qe-7.6/NEB/tools/\nq-e-qe-7.6/NEB/tools/path_interpolation.sh\nq-e-qe-7.6/NEB/tools/path_merge.sh\nq-e-qe-7.6/PHonon/\nq-e-qe-7.6/PHonon/CMakeLists.txt\nq-e-qe-7.6/PHonon/Doc/\nq-e-qe-7.6/PHonon/Doc/INPUT_DYNMAT.def\nq-e-qe-7.6/PHonon/Doc/INPUT_Gamma\nq-e-qe-7.6/PHonon/Doc/INPUT_MATDYN.def\nq-e-qe-7.6/PHonon/Doc/INPUT_PH.def\nq-e-qe-7.6/PHonon/Doc/INPUT_POSTAHC.def\nq-e-qe-7.6/PHonon/Doc/INPUT_Q2R.def\nq-e-qe-7.6/PHonon/Doc/Makefile\nq-e-qe-7.6/PHonon/Doc/developer_man.pdf\nq-e-qe-7.6/PHonon/Doc/dfpt_self_energy.pdf\nq-e-qe-7.6/PHonon/Doc/dfpt_self_energy.tex\nq-e-qe-7.6/PHonon/Doc/dfpt_tetra.pdf\nq-e-qe-7.6/PHonon/Doc/dfpt_tetra.tex\nq-e-qe-7.6/PHonon/Doc/input_xx.xsl\nq-e-qe-7.6/PHonon/Doc/pic/\nq-e-qe-7.6/PHonon/Doc/pic/elph_tetra.pdf\nq-e-qe-7.6/PHonon/Doc/user_guide.pdf\nq-e-qe-7.6/PHonon/Doc/user_guide.tex\nq-e-qe-7.6/PHonon/FD/\nq-e-qe-7.6/PHonon/FD/Makefile\nq-e-qe-7.6/PHonon/FD/example/\nq-e-qe-7.6/PHonon/FD/example/README\nq-e-qe-7.6/PHonon/FD/example/Si_example/\nq-e-qe-7.6/PHonon/FD/example/Si_example/fd.in\nq-e-qe-7.6/PHonon/FD/example/Si_example/fd_ifc.in\nq-e-qe-7.6/PHonon/FD/example/Si_example/run_fd\nq-e-qe-7.6/PHonon/FD/example/Si_example/si.scf.in\nq-e-qe-7.6/PHonon/FD/fd.f90\nq-e-qe-7.6/PHonon/FD/fd_ef.f90\nq-e-qe-7.6/PHonon/FD/fd_ifc.f90\nq-e-qe-7.6/PHonon/FD/run_fd\nq-e-qe-7.6/PHonon/FD/stop_pp.f90\nq-e-qe-7.6/PHonon/Ford.md\nq-e-qe-7.6/PHonon/Ford/\nq-e-qe-7.6/PHonon/Ford/index.md\nq-e-qe-7.6/PHonon/Gamma/\nq-e-qe-7.6/PHonon/Gamma/Makefile\nq-e-qe-7.6/PHonon/Gamma/a_h.f90\nq-e-qe-7.6/PHonon/Gamma/cg_readin.f90\nq-e-qe-7.6/PHonon/Gamma/cg_setup.f90\nq-e-qe-7.6/PHonon/Gamma/cgcom.f90\nq-e-qe-7.6/PHonon/Gamma/cgsolve.f90\nq-e-qe-7.6/PHonon/Gamma/d2ion.f90\nq-e-qe-7.6/PHonon/Gamma/dgradcorr.f90\nq-e-qe-7.6/PHonon/Gamma/dielec.f90\nq-e-qe-7.6/PHonon/Gamma/drhodv.f90\nq-e-qe-7.6/PHonon/Gamma/dvb_cc.f90\nq-e-qe-7.6/PHonon/Gamma/dvpsi_e.f90\nq-e-qe-7.6/PHonon/Gamma/dvpsi_kb.f90\nq-e-qe-7.6/PHonon/Gamma/dyndiar.f90\nq-e-qe-7.6/PHonon/Gamma/dynmat_init.f90\nq-e-qe-7.6/PHonon/Gamma/dynmatcc.f90\nq-e-qe-7.6/PHonon/Gamma/find_equiv_sites.f90\nq-e-qe-7.6/PHonon/Gamma/generate_dynamical_matrix.f90\nq-e-qe-7.6/PHonon/Gamma/generate_effective_charges.f90\nq-e-qe-7.6/PHonon/Gamma/h_h.f90\nq-e-qe-7.6/PHonon/Gamma/macro.f90\nq-e-qe-7.6/PHonon/Gamma/phcg.f90\nq-e-qe-7.6/PHonon/Gamma/rhod2vkb.f90\nq-e-qe-7.6/PHonon/Gamma/solve_e.f90\nq-e-qe-7.6/PHonon/Gamma/solve_ph.f90\nq-e-qe-7.6/PHonon/Gamma/writedyn.f90\nq-e-qe-7.6/PHonon/Makefile\nq-e-qe-7.6/PHonon/PH/\nq-e-qe-7.6/PHonon/PH/Makefile\nq-e-qe-7.6/PHonon/PH/acfdtest.f90\nq-e-qe-7.6/PHonon/PH/add_dkmds.f90\nq-e-qe-7.6/PHonon/PH/add_for_charges.f90\nq-e-qe-7.6/PHonon/PH/add_zstar_ue.f90\nq-e-qe-7.6/PHonon/PH/add_zstar_ue_us.f90\nq-e-qe-7.6/PHonon/PH/addcore.f90\nq-e-qe-7.6/PHonon/PH/addnlcc_zstar_eu_us.f90\nq-e-qe-7.6/PHonon/PH/addusddens_pulay.f90\nq-e-qe-7.6/PHonon/PH/addusdynmat.f90\nq-e-qe-7.6/PHonon/PH/ahc.f90\nq-e-qe-7.6/PHonon/PH/allocate_part.f90\nq-e-qe-7.6/PHonon/PH/allocate_pert.f90\nq-e-qe-7.6/PHonon/PH/allocate_phq.f90\nq-e-qe-7.6/PHonon/PH/alpha2f.f90\nq-e-qe-7.6/PHonon/PH/bcast_ph_input.f90\nq-e-qe-7.6/PHonon/PH/cch_psi_all.f90\nq-e-qe-7.6/PHonon/PH/check_if_partial_dyn.f90\nq-e-qe-7.6/PHonon/PH/check_initial_status.f90\nq-e-qe-7.6/PHonon/PH/check_restart_recover.f90\nq-e-qe-7.6/PHonon/PH/chi_test.f90\nq-e-qe-7.6/PHonon/PH/clean_pw_ph.f90\nq-e-qe-7.6/PHonon/PH/clinear.f90\nq-e-qe-7.6/PHonon/PH/close_phq.f90\nq-e-qe-7.6/PHonon/PH/compute_alphasum.f90\nq-e-qe-7.6/PHonon/PH/compute_becalp.f90\nq-e-qe-7.6/PHonon/PH/compute_becsum_ph.f90\nq-e-qe-7.6/PHonon/PH/compute_drhous.f90\nq-e-qe-7.6/PHonon/PH/compute_drhous_nc.f90\nq-e-qe-7.6/PHonon/PH/compute_dvloc.f90\nq-e-qe-7.6/PHonon/PH/compute_nldyn.f90\nq-e-qe-7.6/PHonon/PH/compute_weight.f90\nq-e-qe-7.6/PHonon/PH/d2ionq.f90\nq-e-qe-7.6/PHonon/PH/d2ionq_disp.f90\nq-e-qe-7.6/PHonon/PH/d2mxc.f90\nq-e-qe-7.6/PHonon/PH/d2nsq_bare.f90\nq-e-qe-7.6/PHonon/PH/davcio_drho.f90\nq-e-qe-7.6/PHonon/PH/deallocate_part.f90\nq-e-qe-7.6/PHonon/PH/deallocate_phq.f90\nq-e-qe-7.6/PHonon/PH/delta_sphi.f90\nq-e-qe-7.6/PHonon/PH/dfile_autoname.f90\nq-e-qe-7.6/PHonon/PH/dfile_star.f90\nq-e-qe-7.6/PHonon/PH/dhdrhopsi.f90\nq-e-qe-7.6/PHonon/PH/dielec.f90\nq-e-qe-7.6/PHonon/PH/dielec_test.f90\nq-e-qe-7.6/PHonon/PH/dnsq_bare.f90\nq-e-qe-7.6/PHonon/PH/dnsq_orth.f90\nq-e-qe-7.6/PHonon/PH/dnsq_orth_set_irr.f90\nq-e-qe-7.6/PHonon/PH/dnsq_store.f90\nq-e-qe-7.6/PHonon/PH/do_phonon.f90\nq-e-qe-7.6/PHonon/PH/do_q2r.f90\nq-e-qe-7.6/PHonon/PH/dpsi_orth.f90\nq-e-qe-7.6/PHonon/PH/drho.f90\nq-e-qe-7.6/PHonon/PH/drhodv.f90\nq-e-qe-7.6/PHonon/PH/drhodvloc.f90\nq-e-qe-7.6/PHonon/PH/drhodvnl.f90\nq-e-qe-7.6/PHonon/PH/drhodvus.f90\nq-e-qe-7.6/PHonon/PH/dump_drho.f90\nq-e-qe-7.6/PHonon/PH/dvanqq.f90\nq-e-qe-7.6/PHonon/PH/dvkb3.f90\nq-e-qe-7.6/PHonon/PH/dvpsi_e.f90\nq-e-qe-7.6/PHonon/PH/dvpsi_e2.f90\nq-e-qe-7.6/PHonon/PH/dvqhub_barepsi_us.f90\nq-e-qe-7.6/PHonon/PH/dvqhub_barepsi_us2.f90\nq-e-qe-7.6/PHonon/PH/dvqpsi_us.f90\nq-e-qe-7.6/PHonon/PH/dvqpsi_us_only.f90\nq-e-qe-7.6/PHonon/PH/dvscf_interpolate.f90\nq-e-qe-7.6/PHonon/PH/dvscf_q2r.f90\nq-e-qe-7.6/PHonon/PH/dwfc.f90\nq-e-qe-7.6/PHonon/PH/dyndia.f90\nq-e-qe-7.6/PHonon/PH/dynmat.f90\nq-e-qe-7.6/PHonon/PH/dynmat0.f90\nq-e-qe-7.6/PHonon/PH/dynmat_hub_bare.f90\nq-e-qe-7.6/PHonon/PH/dynmat_hub_scf.f90\nq-e-qe-7.6/PHonon/PH/dynmat_nlcc.f90\nq-e-qe-7.6/PHonon/PH/dynmat_us.f90\nq-e-qe-7.6/PHonon/PH/dynmatcc.f90\nq-e-qe-7.6/PHonon/PH/dynmatrix.f90\nq-e-qe-7.6/PHonon/PH/el_opt.f90\nq-e-qe-7.6/PHonon/PH/el_ph_collect.f90\nq-e-qe-7.6/PHonon/PH/elph.f90\nq-e-qe-7.6/PHonon/PH/elph_scdft_mod.f90\nq-e-qe-7.6/PHonon/PH/elph_tetra_mod.f90\nq-e-qe-7.6/PHonon/PH/elphon.f90\nq-e-qe-7.6/PHonon/PH/ep_matrix_element_wannier.f90\nq-e-qe-7.6/PHonon/PH/epa.f90\nq-e-qe-7.6/PHonon/PH/find_equiv_sites.f90\nq-e-qe-7.6/PHonon/PH/find_irrep.f90\nq-e-qe-7.6/PHonon/PH/find_mode_sym.f90\nq-e-qe-7.6/PHonon/PH/fqha.f90\nq-e-qe-7.6/PHonon/PH/generate_dynamical_matrix_c.f90\nq-e-qe-7.6/PHonon/PH/generate_effective_charges_c.f90\nq-e-qe-7.6/PHonon/PH/gmressolve_all.f90\nq-e-qe-7.6/PHonon/PH/hdiag.f90\nq-e-qe-7.6/PHonon/PH/incdrhous.f90\nq-e-qe-7.6/PHonon/PH/incdrhous_nc.f90\nq-e-qe-7.6/PHonon/PH/init_representations.f90\nq-e-qe-7.6/PHonon/PH/initialize_ph.f90\nq-e-qe-7.6/PHonon/PH/io_dyn_mat.f90\nq-e-qe-7.6/PHonon/PH/io_dyn_mat_old.f90\nq-e-qe-7.6/PHonon/PH/io_pattern.f90\nq-e-qe-7.6/PHonon/PH/lambda.f90\nq-e-qe-7.6/PHonon/PH/matdyn.f90\nq-e-qe-7.6/PHonon/PH/obsolete.f90\nq-e-qe-7.6/PHonon/PH/openfilq.f90\nq-e-qe-7.6/PHonon/PH/pcgreen.f90\nq-e-qe-7.6/PHonon/PH/ph_restart.f90\nq-e-qe-7.6/PHonon/PH/ph_set_upert.f90\nq-e-qe-7.6/PHonon/PH/phcom.f90\nq-e-qe-7.6/PHonon/PH/phescf.f90\nq-e-qe-7.6/PHonon/PH/phonon.f90\nq-e-qe-7.6/PHonon/PH/phq_init.f90\nq-e-qe-7.6/PHonon/PH/phq_readin.f90\nq-e-qe-7.6/PHonon/PH/phq_recover.f90\nq-e-qe-7.6/PHonon/PH/phq_setup.f90\nq-e-qe-7.6/PHonon/PH/phq_summary.f90\nq-e-qe-7.6/PHonon/PH/phqscf.f90\nq-e-qe-7.6/PHonon/PH/polariz.f90\nq-e-qe-7.6/PHonon/PH/postahc.f90\nq-e-qe-7.6/PHonon/PH/prepare_q.f90\nq-e-qe-7.6/PHonon/PH/prepare_sym_analysis.f90\nq-e-qe-7.6/PHonon/PH/print_clock_ph.f90\nq-e-qe-7.6/PHonon/PH/psidspsi.f90\nq-e-qe-7.6/PHonon/PH/psyme2.f90\nq-e-qe-7.6/PHonon/PH/punch_plot_e.f90\nq-e-qe-7.6/PHonon/PH/q2qstar.f90\nq-e-qe-7.6/PHonon/PH/q2qstar_ph.f90\nq-e-qe-7.6/PHonon/PH/q2r.f90\nq-e-qe-7.6/PHonon/PH/q_points.f90\nq-e-qe-7.6/PHonon/PH/q_points_wannier.f90\nq-e-qe-7.6/PHonon/PH/raman.f90\nq-e-qe-7.6/PHonon/PH/raman_mat.f90\nq-e-qe-7.6/PHonon/PH/ramanm.f90\nq-e-qe-7.6/PHonon/PH/random_matrix.f90\nq-e-qe-7.6/PHonon/PH/read_wfc_rspace_and_fwfft.f90\nq-e-qe-7.6/PHonon/PH/rigid.f90\nq-e-qe-7.6/PHonon/PH/rotate_and_add_dyn.f90\nq-e-qe-7.6/PHonon/PH/rotate_dvscf_star.f90\nq-e-qe-7.6/PHonon/PH/rotate_pattern_add.f90\nq-e-qe-7.6/PHonon/PH/run_nscf.f90\nq-e-qe-7.6/PHonon/PH/save_ph_input.f90\nq-e-qe-7.6/PHonon/PH/set_asr_c.f90\nq-e-qe-7.6/PHonon/PH/set_drhoc.f90\nq-e-qe-7.6/PHonon/PH/set_dvscf.f90\nq-e-qe-7.6/PHonon/PH/set_int12_nc.f90\nq-e-qe-7.6/PHonon/PH/set_irr.f90\nq-e-qe-7.6/PHonon/PH/set_irr_nosym.f90\nq-e-qe-7.6/PHonon/PH/set_irr_sym.f90\nq-e-qe-7.6/PHonon/PH/setlocq.f90\nq-e-qe-7.6/PHonon/PH/solve_e.f90\nq-e-qe-7.6/PHonon/PH/solve_e2.f90\nq-e-qe-7.6/PHonon/PH/solve_e_fpol.f90\nq-e-qe-7.6/PHonon/PH/solve_e_nscf.f90\nq-e-qe-7.6/PHonon/PH/solve_linter.f90\nq-e-qe-7.6/PHonon/PH/stop_ph.f90\nq-e-qe-7.6/PHonon/PH/summarize.f90\nq-e-qe-7.6/PHonon/PH/swfc.f90\nq-e-qe-7.6/PHonon/PH/sym_and_write_zue.f90\nq-e-qe-7.6/PHonon/PH/sym_dns_wrapper.f90\nq-e-qe-7.6/PHonon/PH/symdyn_munu.f90\nq-e-qe-7.6/PHonon/PH/symdynph_gq.f90\nq-e-qe-7.6/PHonon/PH/syme2.f90\nq-e-qe-7.6/PHonon/PH/symm.f90\nq-e-qe-7.6/PHonon/PH/symmorphic_or_nzb.f90\nq-e-qe-7.6/PHonon/PH/tra_write_matrix.f90\nq-e-qe-7.6/PHonon/PH/transform_alphasum_nc.f90\nq-e-qe-7.6/PHonon/PH/transform_alphasum_so.f90\nq-e-qe-7.6/PHonon/PH/transform_int_nc.f90\nq-e-qe-7.6/PHonon/PH/transform_int_so.f90\nq-e-qe-7.6/PHonon/PH/trntnsc.f90\nq-e-qe-7.6/PHonon/PH/write_eigenvectors.f90\nq-e-qe-7.6/PHonon/PH/write_epsilon_and_zeu.f90\nq-e-qe-7.6/PHonon/PH/write_hub.f90\nq-e-qe-7.6/PHonon/PH/write_matrix.f90\nq-e-qe-7.6/PHonon/PH/write_modes.f90\nq-e-qe-7.6/PHonon/PH/write_qplot_data.f90\nq-e-qe-7.6/PHonon/PH/write_ramtns.f90\nq-e-qe-7.6/PHonon/PH/write_rec.f90\nq-e-qe-7.6/PHonon/PH/yambo.f90\nq-e-qe-7.6/PHonon/PH/zstar_eu.f90\nq-e-qe-7.6/PHonon/PH/zstar_eu_us.f90\nq-e-qe-7.6/PHonon/examples/\nq-e-qe-7.6/PHonon/examples/GRID_example/\nq-e-qe-7.6/PHonon/examples/GRID_example/README\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.ph.out0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.7\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.8\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.7\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.8\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.444.fc.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn1.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn2.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn3.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn4.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn5.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn6.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn7.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn8.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.freq\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.freq.rap\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.ph.in0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.ph.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.ph.out0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.1.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.1.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.1.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.2.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.2.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.3.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.3.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.4.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.4.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.5.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.5.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.freq\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.freq.rap\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.modes\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/phdos.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example_1\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example_2\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example_3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/README\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.444.fc\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dispersions.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn0\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn7\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn8\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.collect.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.prep.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.phdos.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/freq.plot\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/phdos.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dispersions.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn0\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn7\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn8\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.ph.collect.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.ph.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.ph.rec.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.phdos.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas444.fc\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/freq.plot\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.modes\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/out.1_0\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/phdos.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/run_example\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/run_example_2\nq-e-qe-7.6/PHonon/examples/Image_example/\nq-e-qe-7.6/PHonon/examples/Image_example/README\nq-e-qe-7.6/PHonon/examples/Image_example/reference/\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.ph.out1\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/out.1_0\nq-e-qe-7.6/PHonon/examples/Image_example/reference/phdos.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn0\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn1\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn2\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn3\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn4\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn5\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn6\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn7\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn8\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn0\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn1\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn10\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn11\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn12\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn13\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn14\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn15\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn16\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn17\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.freq\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.collect.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.disp.collect.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.disp.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.scf.out\nq-e-qe-7.6/PHonon/examples/Image_example/run_example\nq-e-qe-7.6/PHonon/examples/Image_example/run_example_1\nq-e-qe-7.6/PHonon/examples/Partial_example/\nq-e-qe-7.6/PHonon/examples/Partial_example/README\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phA1.out\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phE.out1\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phE.out2\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phG.out\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/Partial_example/run_example\nq-e-qe-7.6/PHonon/examples/README\nq-e-qe-7.6/PHonon/examples/Recover_example/\nq-e-qe-7.6/PHonon/examples/Recover_example/README\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Au.phX_rel.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Au.phX_rel.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Au.scf_rel.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phG_pbe.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phG_pbe.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phX_pbe_one_mode.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phX_pbe_one_mode.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.scf_pbe.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/ni.phX.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/ni.phX.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/si.phG.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/si.phG.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/si.scf.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/Al444.fc\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/Al444.freq\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/Al444.freq.gp\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos10\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos9\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn0\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.elph.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.elph.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.scf.fit.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.scf.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/dyna2F\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.61\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.62\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.63\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.64\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.65\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.66\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.67\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.68\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.69\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.70\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/lambda\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/matdyn.in.dos\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/matdyn.modes\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/matdyn.out.dos\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/phonon.dos\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/q2r.out\nq-e-qe-7.6/PHonon/examples/Recover_example/run_example\nq-e-qe-7.6/PHonon/examples/Recover_example/run_example_1\nq-e-qe-7.6/PHonon/examples/clean_all\nq-e-qe-7.6/PHonon/examples/example01/\nq-e-qe-7.6/PHonon/examples/example01/README\nq-e-qe-7.6/PHonon/examples/example01/reference/\nq-e-qe-7.6/PHonon/examples/example01/reference/c.phG.out\nq-e-qe-7.6/PHonon/examples/example01/reference/c.scf.out\nq-e-qe-7.6/PHonon/examples/example01/reference/ni.phX.out\nq-e-qe-7.6/PHonon/examples/example01/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.phG.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.phX.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.phXsingle.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.scf.out\nq-e-qe-7.6/PHonon/examples/example01/run_example\nq-e-qe-7.6/PHonon/examples/example014/\nq-e-qe-7.6/PHonon/examples/example014/run_example_ep_simple\nq-e-qe-7.6/PHonon/examples/example02/\nq-e-qe-7.6/PHonon/examples/example02/README\nq-e-qe-7.6/PHonon/examples/example02/reference/\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.freq\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/example02/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/example02/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example02/run_example\nq-e-qe-7.6/PHonon/examples/example03/\nq-e-qe-7.6/PHonon/examples/example03/README\nq-e-qe-7.6/PHonon/examples/example03/reference/\nq-e-qe-7.6/PHonon/examples/example03/reference/al.elph.out\nq-e-qe-7.6/PHonon/examples/example03/reference/al.scf.fit.out\nq-e-qe-7.6/PHonon/examples/example03/reference/al.scf.out\nq-e-qe-7.6/PHonon/examples/example03/reference/lambda\nq-e-qe-7.6/PHonon/examples/example03/run_example\nq-e-qe-7.6/PHonon/examples/example04/\nq-e-qe-7.6/PHonon/examples/example04/README\nq-e-qe-7.6/PHonon/examples/example04/reference/\nq-e-qe-7.6/PHonon/examples/example04/reference/ch4.dyn.out\nq-e-qe-7.6/PHonon/examples/example04/reference/ch4.nm.out\nq-e-qe-7.6/PHonon/examples/example04/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/example04/run_example\nq-e-qe-7.6/PHonon/examples/example05/\nq-e-qe-7.6/PHonon/examples/example05/README\nq-e-qe-7.6/PHonon/examples/example05/reference/\nq-e-qe-7.6/PHonon/examples/example05/reference/alas.dynG\nq-e-qe-7.6/PHonon/examples/example05/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/example05/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/example05/run_example\nq-e-qe-7.6/PHonon/examples/example06/\nq-e-qe-7.6/PHonon/examples/example06/README\nq-e-qe-7.6/PHonon/examples/example06/reference/\nq-e-qe-7.6/PHonon/examples/example06/reference/pt.ph.out\nq-e-qe-7.6/PHonon/examples/example06/reference/pt.phX.out\nq-e-qe-7.6/PHonon/examples/example06/reference/pt.scf_ph.out\nq-e-qe-7.6/PHonon/examples/example06/run_example\nq-e-qe-7.6/PHonon/examples/example07/\nq-e-qe-7.6/PHonon/examples/example07/README\nq-e-qe-7.6/PHonon/examples/example07/reference/\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.phG.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.phX.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.phX2.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.phG.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.phX.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.phX2.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.scf.out\nq-e-qe-7.6/PHonon/examples/example07/reference/pt.phG.out\nq-e-qe-7.6/PHonon/examples/example07/reference/pt.phX.out\nq-e-qe-7.6/PHonon/examples/example07/reference/pt.scf.out\nq-e-qe-7.6/PHonon/examples/example07/run_example\nq-e-qe-7.6/PHonon/examples/example08/\nq-e-qe-7.6/PHonon/examples/example08/README\nq-e-qe-7.6/PHonon/examples/example08/reference/\nq-e-qe-7.6/PHonon/examples/example08/reference/Cu.phG_pbe.out\nq-e-qe-7.6/PHonon/examples/example08/reference/Cu.scf_pbe.out\nq-e-qe-7.6/PHonon/examples/example08/reference/c.phG.out\nq-e-qe-7.6/PHonon/examples/example08/reference/c.phX.out\nq-e-qe-7.6/PHonon/examples/example08/reference/c.scf.out\nq-e-qe-7.6/PHonon/examples/example08/reference/ch4.nm.out\nq-e-qe-7.6/PHonon/examples/example08/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/example08/run_example\nq-e-qe-7.6/PHonon/examples/example09/\nq-e-qe-7.6/PHonon/examples/example09/README\nq-e-qe-7.6/PHonon/examples/example09/reference/\nq-e-qe-7.6/PHonon/examples/example09/reference/ch4.fpol.out\nq-e-qe-7.6/PHonon/examples/example09/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/example09/run_example\nq-e-qe-7.6/PHonon/examples/example10/\nq-e-qe-7.6/PHonon/examples/example10/README\nq-e-qe-7.6/PHonon/examples/example10/reference/\nq-e-qe-7.6/PHonon/examples/example10/reference/c.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/c.scf.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2.scf.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2_nc.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2_nc.scf.out\nq-e-qe-7.6/PHonon/examples/example10/reference/si.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/si.scf.out\nq-e-qe-7.6/PHonon/examples/example10/run_example\nq-e-qe-7.6/PHonon/examples/example11/\nq-e-qe-7.6/PHonon/examples/example11/README\nq-e-qe-7.6/PHonon/examples/example11/reference/\nq-e-qe-7.6/PHonon/examples/example11/reference/Au.phG_pz.out\nq-e-qe-7.6/PHonon/examples/example11/reference/Au.phX_pz.out\nq-e-qe-7.6/PHonon/examples/example11/reference/Au.scf_pz.out\nq-e-qe-7.6/PHonon/examples/example11/run_example\nq-e-qe-7.6/PHonon/examples/example12/\nq-e-qe-7.6/PHonon/examples/example12/README\nq-e-qe-7.6/PHonon/examples/example12/reference/\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4-gga.dyn.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4-gga.nm.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4-gga.scf.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4.dyn.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4.nm.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4.scf.out\nq-e-qe-7.6/PHonon/examples/example12/run_example\nq-e-qe-7.6/PHonon/examples/example13/\nq-e-qe-7.6/PHonon/examples/example13/reference/\nq-e-qe-7.6/PHonon/examples/example13/reference/ni.ph.out\nq-e-qe-7.6/PHonon/examples/example13/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/example13/run_example\nq-e-qe-7.6/PHonon/examples/example14/\nq-e-qe-7.6/PHonon/examples/example14/README\nq-e-qe-7.6/PHonon/examples/example14/reference/\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn0\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn1\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn2\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn3\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn4\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn5\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn6\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn7\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn8\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn.freq\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn0\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn1\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn10\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn11\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn12\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn13\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn14\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn15\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn16\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn17\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn2\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn3\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn4\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn5\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn6\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn7\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn8\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn9\nq-e-qe-7.6/PHonon/examples/example14/reference/al.freq\nq-e-qe-7.6/PHonon/examples/example14/reference/al.freq.gp\nq-e-qe-7.6/PHonon/examples/example14/reference/al.ph.disp.out\nq-e-qe-7.6/PHonon/examples/example14/reference/al.ph.out\nq-e-qe-7.6/PHonon/examples/example14/reference/al.scf.out\nq-e-qe-7.6/PHonon/examples/example14/reference/freq.disp.plot\nq-e-qe-7.6/PHonon/examples/example14/reference/freq.plot\nq-e-qe-7.6/PHonon/examples/example14/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/example14/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/example14/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example14/run_example\nq-e-qe-7.6/PHonon/examples/example15/\nq-e-qe-7.6/PHonon/examples/example15/README\nq-e-qe-7.6/PHonon/examples/example15/reference/\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.dm.in\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.dm.out\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.ph.in\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.ph.out\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.scf.in\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.scf.out\nq-e-qe-7.6/PHonon/examples/example15/reference/dmat.co2\nq-e-qe-7.6/PHonon/examples/example15/reference/dmat.zno\nq-e-qe-7.6/PHonon/examples/example15/reference/dynmat.axsf\nq-e-qe-7.6/PHonon/examples/example15/reference/dynmat.mold\nq-e-qe-7.6/PHonon/examples/example15/reference/dynmat.out\nq-e-qe-7.6/PHonon/examples/example15/reference/plot_command_co2.cmd\nq-e-qe-7.6/PHonon/examples/example15/reference/plot_command_zno.cmd\nq-e-qe-7.6/PHonon/examples/example15/reference/plotdata_co2.dat\nq-e-qe-7.6/PHonon/examples/example15/reference/plotdata_zno.dat\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.dm.in\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.dm.out\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.ph.in\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.ph.out\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.scf.in\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.scf.out\nq-e-qe-7.6/PHonon/examples/example15/run_example\nq-e-qe-7.6/PHonon/examples/example16/\nq-e-qe-7.6/PHonon/examples/example16/README\nq-e-qe-7.6/PHonon/examples/example16/reference/\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.rvv10.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.rvv10.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.rvv10.scf.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.scf.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df.scf.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df2.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df2.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df2.scf.out\nq-e-qe-7.6/PHonon/examples/example16/run_example\nq-e-qe-7.6/PHonon/examples/example17/\nq-e-qe-7.6/PHonon/examples/example17/README\nq-e-qe-7.6/PHonon/examples/example17/reference/\nq-e-qe-7.6/PHonon/examples/example17/reference/al.dispersions.ps\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn0\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn1\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn10\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn2\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn3\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn4\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn5\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn6\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn7\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn8\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn9\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.freq\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.freq.gp\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.ph.disp.in\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.ph.disp.out\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.scf.in\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.scf.out\nq-e-qe-7.6/PHonon/examples/example17/reference/bn881.fc\nq-e-qe-7.6/PHonon/examples/example17/reference/freq.disp.plot\nq-e-qe-7.6/PHonon/examples/example17/reference/freq.disp.ps\nq-e-qe-7.6/PHonon/examples/example17/reference/matdyn.in\nq-e-qe-7.6/PHonon/examples/example17/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/example17/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/example17/reference/plotband.in\nq-e-qe-7.6/PHonon/examples/example17/reference/q2r.in\nq-e-qe-7.6/PHonon/examples/example17/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example17/run_example\nq-e-qe-7.6/PHonon/examples/example18/\nq-e-qe-7.6/PHonon/examples/example18/README\nq-e-qe-7.6/PHonon/examples/example18/reference/\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.dynG\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.dynq\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.phG.in\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.phq.in\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.scf.in\nq-e-qe-7.6/PHonon/examples/example18/run_example\nq-e-qe-7.6/PHonon/examples/example19/\nq-e-qe-7.6/PHonon/examples/example19/README\nq-e-qe-7.6/PHonon/examples/example19/reference/\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.coarse.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.coarse.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.fine.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.fine.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn0\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn1\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn2\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn3\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn4\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ifc\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.modes_coarse\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.modes_fine\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.nscf.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.nscf.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ph.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ph.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.scf.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.scf.out\nq-e-qe-7.6/PHonon/examples/example19/reference/dvscfq2r.in\nq-e-qe-7.6/PHonon/examples/example19/reference/dvscfq2r.out\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.coarse.in\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.coarse.out\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.fine.in\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.fine.out\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.coarse.in\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.coarse.out\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.fine.in\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.fine.out\nq-e-qe-7.6/PHonon/examples/example19/reference/q2r.in\nq-e-qe-7.6/PHonon/examples/example19/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_coarse_imag.dat\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_coarse_real.dat\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_fine_imag.dat\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_fine_real.dat\nq-e-qe-7.6/PHonon/examples/example19/run_example\nq-e-qe-7.6/PHonon/examples/run_all_examples\nq-e-qe-7.6/PHonon/examples/tetra_example/\nq-e-qe-7.6/PHonon/examples/tetra_example/README\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.a2F.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn0\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn1\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn1.elph.1\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn10\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn10.elph.10\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn2\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn2.elph.2\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn3\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn3.elph.3\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn4\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn4.elph.4\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn5\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn5.elph.5\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn6\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn6.elph.6\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn7\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn7.elph.7\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn8\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn8.elph.8\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn9\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn9.elph.9\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.elph.in\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.elph.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.ph.in\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.ph.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.scf.in\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.scf.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/aluminum.McMillan.gp\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/aluminum.a2F.dat\nq-e-qe-7.6/PHonon/examples/tetra_example/run_example\nq-e-qe-7.6/PIOUD/\nq-e-qe-7.6/PIOUD/CMakeLists.txt\nq-e-qe-7.6/PIOUD/Makefile\nq-e-qe-7.6/PIOUD/examples/\nq-e-qe-7.6/PIOUD/examples/clean_all\nq-e-qe-7.6/PIOUD/examples/test_example_diamond/\nq-e-qe-7.6/PIOUD/examples/test_example_diamond/run_example\nq-e-qe-7.6/PIOUD/examples/test_example_diamond/script_sub\nq-e-qe-7.6/PIOUD/src/\nq-e-qe-7.6/PIOUD/src/Makefile\nq-e-qe-7.6/PIOUD/src/compute_scf_pioud.f90\nq-e-qe-7.6/PIOUD/src/engine_to_trpmd_nat_alat.f90\nq-e-qe-7.6/PIOUD/src/engine_to_trpmd_pos.f90\nq-e-qe-7.6/PIOUD/src/fcp_opt_routines.f90\nq-e-qe-7.6/PIOUD/src/fcp_variables.f90\nq-e-qe-7.6/PIOUD/src/make.depend\nq-e-qe-7.6/PIOUD/src/makedeps.sh\nq-e-qe-7.6/PIOUD/src/pimd_subrout.f90\nq-e-qe-7.6/PIOUD/src/pimd_utils.f90\nq-e-qe-7.6/PIOUD/src/pimd_variables.f90\nq-e-qe-7.6/PIOUD/src/pioud.f90\nq-e-qe-7.6/PIOUD/src/pw_gen_inputs.f90\nq-e-qe-7.6/PIOUD/src/ring_formats.f90\nq-e-qe-7.6/PIOUD/src/ring_input_parameters_module.f90\nq-e-qe-7.6/PIOUD/src/ring_io_units_module.f90\nq-e-qe-7.6/PIOUD/src/ring_variables.f90\nq-e-qe-7.6/PIOUD/src/set_defaults.f90\nq-e-qe-7.6/PIOUD/src/stop_run_path.f90\nq-e-qe-7.6/PIOUD/src/trpmd_base.f90\nq-e-qe-7.6/PIOUD/src/trpmd_io_routines.f90\nq-e-qe-7.6/PP/\nq-e-qe-7.6/PP/CMakeLists.txt\nq-e-qe-7.6/PP/Doc/\nq-e-qe-7.6/PP/Doc/INPUT_BANDS.def\nq-e-qe-7.6/PP/Doc/INPUT_BAND_INTERPOLATION.def\nq-e-qe-7.6/PP/Doc/INPUT_D3HESS.def\nq-e-qe-7.6/PP/Doc/INPUT_DOS.def\nq-e-qe-7.6/PP/Doc/INPUT_OSCDFT_ET.def\nq-e-qe-7.6/PP/Doc/INPUT_OSCDFT_PP.def\nq-e-qe-7.6/PP/Doc/INPUT_PP.def\nq-e-qe-7.6/PP/Doc/INPUT_PPACF.def\nq-e-qe-7.6/PP/Doc/INPUT_PPRISM.def\nq-e-qe-7.6/PP/Doc/INPUT_PROJWFC.def\nq-e-qe-7.6/PP/Doc/INPUT_bgw2pw.def\nq-e-qe-7.6/PP/Doc/INPUT_molecularpdos.def\nq-e-qe-7.6/PP/Doc/INPUT_pw2bgw.def\nq-e-qe-7.6/PP/Doc/INPUT_pw2gw.def\nq-e-qe-7.6/PP/Doc/INPUT_pw2wannier90.def\nq-e-qe-7.6/PP/Doc/INPUT_wannier2pw.def\nq-e-qe-7.6/PP/Doc/Makefile\nq-e-qe-7.6/PP/Doc/eps_man.tex\nq-e-qe-7.6/PP/Doc/user_guide.tex\nq-e-qe-7.6/PP/Makefile\nq-e-qe-7.6/PP/examples/\nq-e-qe-7.6/PP/examples/ACF_example/\nq-e-qe-7.6/PP/examples/ACF_example/README\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/atoms.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/atoms.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_fock.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_fock.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_plot.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_plot.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_scale.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_scale.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/atoms.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/atoms.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/atoms_ppacf.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_fock.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_fock.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_plot.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_plot.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_scale.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_scale.out\nq-e-qe-7.6/PP/examples/ACF_example/run_example\nq-e-qe-7.6/PP/examples/BGW_example/\nq-e-qe-7.6/PP/examples/BGW_example/README\nq-e-qe-7.6/PP/examples/BGW_example/references/\nq-e-qe-7.6/PP/examples/BGW_example/references/si.pw2bgw.in\nq-e-qe-7.6/PP/examples/BGW_example/references/si.pw2bgw.out\nq-e-qe-7.6/PP/examples/BGW_example/references/si.scf.in\nq-e-qe-7.6/PP/examples/BGW_example/references/si.scf.out\nq-e-qe-7.6/PP/examples/BGW_example/references/vxc.dat\nq-e-qe-7.6/PP/examples/BGW_example/references/vxc0.dat\nq-e-qe-7.6/PP/examples/BGW_example/run_example\nq-e-qe-7.6/PP/examples/CLS_FS_example/\nq-e-qe-7.6/PP/examples/CLS_FS_example/README\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/final-state.txt\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/rh011bulk.scf.out\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/rh011layer1.scf.out\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/rh011surf.scf.out\nq-e-qe-7.6/PP/examples/CLS_FS_example/run_example\nq-e-qe-7.6/PP/examples/CLS_IS_example/\nq-e-qe-7.6/PP/examples/CLS_IS_example/README\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/initial-state.txt\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/rh011slab.istate.out\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/rh011slab.scf.out\nq-e-qe-7.6/PP/examples/CLS_IS_example/run_example\nq-e-qe-7.6/PP/examples/ForceTheorem_example/\nq-e-qe-7.6/PP/examples/ForceTheorem_example/README\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/eband_par.dat\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/eband_per.dat\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/par.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/per.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/proj_par.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/proj_per.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/sr.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/run_example\nq-e-qe-7.6/PP/examples/MolDos_example/\nq-e-qe-7.6/PP/examples/MolDos_example/README\nq-e-qe-7.6/PP/examples/MolDos_example/reference/\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.bands.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.k.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.scf.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.bands.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.k.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.scf.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2_onto_H2.k.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2_onto_H2.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/gnuplot.tmp\nq-e-qe-7.6/PP/examples/MolDos_example/reference/project_chainH2_onto_H2.ps\nq-e-qe-7.6/PP/examples/MolDos_example/run_example\nq-e-qe-7.6/PP/examples/README\nq-e-qe-7.6/PP/examples/W90_open_grid_example/\nq-e-qe-7.6/PP/examples/W90_open_grid_example/README\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.lib.win\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.openg.sa.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.openg.sa.out\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.lib.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.sa.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.sa.out\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.eig\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.nnkp\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.win\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.wout\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.scf.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.scf.out\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/k_points.txt\nq-e-qe-7.6/PP/examples/W90_open_grid_example/run_example\nq-e-qe-7.6/PP/examples/WAN90_example/\nq-e-qe-7.6/PP/examples/WAN90_example/README\nq-e-qe-7.6/PP/examples/WAN90_example/reference/\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.lib.win\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.lib.wout\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.nscf.out\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.pw2wan.lib.out\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.pw2wan.sa.out\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.eig\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.nnkp\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.win\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.wout\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.scf.out\nq-e-qe-7.6/PP/examples/WAN90_example/run_example\nq-e-qe-7.6/PP/examples/WannierHam_example/\nq-e-qe-7.6/PP/examples/WannierHam_example/README\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/NiO.nscf.out\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/NiO.scf.out\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/hamilt.gz\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/wannier_hamilt.out\nq-e-qe-7.6/PP/examples/WannierHam_example/run_example\nq-e-qe-7.6/PP/examples/WorkFct_example/\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.avg.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.avg.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.pp.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.pp.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.avg.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.avg.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.pot\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.pp.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.pp.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.wf.data\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.wf.eps\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Albulkrefpot\nq-e-qe-7.6/PP/examples/WorkFct_example/run_example\nq-e-qe-7.6/PP/examples/clean_all\nq-e-qe-7.6/PP/examples/dipole_example/\nq-e-qe-7.6/PP/examples/dipole_example/README\nq-e-qe-7.6/PP/examples/dipole_example/reference/\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.avg.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.eps\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.pp.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.pp.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.scf.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.scf.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.vpot-z\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.avg.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.eps\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.pp.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.pp.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.scf.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.scf.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.vpot-z\nq-e-qe-7.6/PP/examples/dipole_example/run_example\nq-e-qe-7.6/PP/examples/example01/\nq-e-qe-7.6/PP/examples/example01/README\nq-e-qe-7.6/PP/examples/example01/reference/\nq-e-qe-7.6/PP/examples/example01/reference/si.band.out\nq-e-qe-7.6/PP/examples/example01/reference/si.bands.out\nq-e-qe-7.6/PP/examples/example01/reference/si.plotband.out\nq-e-qe-7.6/PP/examples/example01/reference/si.plotrho.out\nq-e-qe-7.6/PP/examples/example01/reference/si.pp_rho.out\nq-e-qe-7.6/PP/examples/example01/reference/si.rho.dat\nq-e-qe-7.6/PP/examples/example01/reference/si.rho.ps\nq-e-qe-7.6/PP/examples/example01/reference/si.scf.out\nq-e-qe-7.6/PP/examples/example01/reference/sibands.dat\nq-e-qe-7.6/PP/examples/example01/reference/sibands.dat.rap\nq-e-qe-7.6/PP/examples/example01/reference/sibands.ps\nq-e-qe-7.6/PP/examples/example01/reference/sicharge\nq-e-qe-7.6/PP/examples/example01/run_example\nq-e-qe-7.6/PP/examples/example02/\nq-e-qe-7.6/PP/examples/example02/README\nq-e-qe-7.6/PP/examples/example02/reference/\nq-e-qe-7.6/PP/examples/example02/reference/FS.in\nq-e-qe-7.6/PP/examples/example02/reference/FS.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos2.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos2.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_NSP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_NSP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_SP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_SP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos_atm#1(Ni)_wfc#1(s)\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos_atm#1(Ni)_wfc#2(d)\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos_tot\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf0.NSP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf0.SP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf_NSP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf_SP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni_fs.bxsf\nq-e-qe-7.6/PP/examples/example02/reference/ni_fsdw.bxsf\nq-e-qe-7.6/PP/examples/example02/reference/ni_fsup.bxsf\nq-e-qe-7.6/PP/examples/example02/run_example\nq-e-qe-7.6/PP/examples/example03/\nq-e-qe-7.6/PP/examples/example03/README\nq-e-qe-7.6/PP/examples/example03/reference/\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110+1.0eV.ps\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110-1.0eV.ps\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.box.projwfc.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.box.projwfc.ps\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.ldos_boxes\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.pp_stm+.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.pp_stm-.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110re.nonscf.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110re.scf.out\nq-e-qe-7.6/PP/examples/example03/run_example\nq-e-qe-7.6/PP/examples/example04/\nq-e-qe-7.6/PP/examples/example04/README\nq-e-qe-7.6/PP/examples/example04/reference/\nq-e-qe-7.6/PP/examples/example04/reference/pt.bands.out\nq-e-qe-7.6/PP/examples/example04/reference/pt.nscf.out\nq-e-qe-7.6/PP/examples/example04/reference/pt.pdos.out\nq-e-qe-7.6/PP/examples/example04/reference/pt.scf.out\nq-e-qe-7.6/PP/examples/example04/run_example\nq-e-qe-7.6/PP/examples/example05/\nq-e-qe-7.6/PP/examples/example05/README\nq-e-qe-7.6/PP/examples/example05/reference/\nq-e-qe-7.6/PP/examples/example05/reference/feo_LDA.in\nq-e-qe-7.6/PP/examples/example05/reference/feo_wannier.in\nq-e-qe-7.6/PP/examples/example05/reference/pmw.in\nq-e-qe-7.6/PP/examples/example05/run_example\nq-e-qe-7.6/PP/examples/example06/\nq-e-qe-7.6/PP/examples/example06/README\nq-e-qe-7.6/PP/examples/example06/reference/\nq-e-qe-7.6/PP/examples/example06/reference/Fe.band_pbe.out\nq-e-qe-7.6/PP/examples/example06/reference/Fe.bands.out\nq-e-qe-7.6/PP/examples/example06/reference/Fe.scf_pbe.out\nq-e-qe-7.6/PP/examples/example06/reference/fe.bands.ps\nq-e-qe-7.6/PP/examples/example06/reference/plotband.out\nq-e-qe-7.6/PP/examples/example06/run_example\nq-e-qe-7.6/PP/examples/example07/\nq-e-qe-7.6/PP/examples/example07/README\nq-e-qe-7.6/PP/examples/example07/reference1/\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.nscf.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.pw2wan.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.scf-wan.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.scf.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.wan2pw.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.win\nq-e-qe-7.6/PP/examples/example07/reference2/\nq-e-qe-7.6/PP/examples/example07/reference2/MnO.nscf.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO.scf-wan.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO.scf.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_down.pw2wan.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_down.wan2pw.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_down.win\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_up.pw2wan.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_up.wan2pw.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_up.win\nq-e-qe-7.6/PP/examples/example07/run_example1\nq-e-qe-7.6/PP/examples/example07/run_example2\nq-e-qe-7.6/PP/examples/example08/\nq-e-qe-7.6/PP/examples/example08/README\nq-e-qe-7.6/PP/examples/example08/reference/\nq-e-qe-7.6/PP/examples/example08/reference/TiO2.pp.in\nq-e-qe-7.6/PP/examples/example08/reference/TiO2.scf.in\nq-e-qe-7.6/PP/examples/example08/run_example\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/README\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier-diff.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/log.pbe0.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/out.fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/out.fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/pbe0.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier-diff.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/log.pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/out.fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/out.fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw-sphere.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw-sphere.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/log.pbe.scf.nosym.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/out.idw-sphere.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/out.idw.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/pbe.scf.nosym.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.bands.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.nscf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.pp.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat.gnu\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat.rap\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.nscf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.pp.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/README\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/bands.dat\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.bands.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.bands.out\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.plotband.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.plotband.out\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.scf.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.scf.out\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/sibands-p.dat\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/sibands.dat\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/sibands.dat.gnu\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/run_example\nq-e-qe-7.6/PP/examples/fermisurf_example/\nq-e-qe-7.6/PP/examples/fermisurf_example/README\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/FS_b2pz.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/FS_vf.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/b2pz.frmsf\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#1(Mg)_wfc#1(s)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#1(Mg)_wfc#2(p)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#2(B)_wfc#1(s)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#2(B)_wfc#2(p)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#3(B)_wfc#1(s)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#3(B)_wfc#2(p)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_tot\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.proj.in\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.proj.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.scf.in\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.scf.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/vfermi.frmsf\nq-e-qe-7.6/PP/examples/fermisurf_example/run_example\nq-e-qe-7.6/PP/examples/projected_bands_example/\nq-e-qe-7.6/PP/examples/projected_bands_example/README\nq-e-qe-7.6/PP/examples/projected_bands_example/projwfc_to_bands.awk\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/ni.kpdos_dw.png\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/ni.kpdos_up.png\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/pt.s-bands.png\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/silicene.projbands.png\nq-e-qe-7.6/PP/examples/projected_bands_example/run_example\nq-e-qe-7.6/PP/examples/pw2gw_example/\nq-e-qe-7.6/PP/examples/pw2gw_example/README\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/bn.nscf.out.xz\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/bn.pw2gw.out.xz\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/bn.scf.out\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsTOT.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsX.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsY.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsZ.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/k.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/matrixelements.xz\nq-e-qe-7.6/PP/examples/pw2gw_example/run_example\nq-e-qe-7.6/PP/examples/run_all_examples\nq-e-qe-7.6/PP/simple_transport/\nq-e-qe-7.6/PP/simple_transport/README\nq-e-qe-7.6/PP/simple_transport/examples/\nq-e-qe-7.6/PP/simple_transport/examples/eg_ef/\nq-e-qe-7.6/PP/simple_transport/examples/eg_ef/out.32\nq-e-qe-7.6/PP/simple_transport/examples/eg_ef/run_ef\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/README\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/Def_0.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/Se_0.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/sig_0.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/run_0\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/README\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/dop_vs_ef\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+18.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+19.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+20.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+21.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+18.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+19.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+20.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+21.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+18\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+19\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+20\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+21\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+18.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+19.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+20.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+21.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/run_1\nq-e-qe-7.6/PP/simple_transport/examples/scf/\nq-e-qe-7.6/PP/simple_transport/examples/scf/As.pbe-n-kjpaw_psl.0.2.upf\nq-e-qe-7.6/PP/simple_transport/examples/scf/Ga.pbe-dn-kjpaw_psl.0.2.upf\nq-e-qe-7.6/PP/simple_transport/examples/scf/info-q\nq-e-qe-7.6/PP/simple_transport/examples/scf/reference/\nq-e-qe-7.6/PP/simple_transport/examples/scf/reference/GaAs.32.a2Fsave\nq-e-qe-7.6/PP/simple_transport/examples/scf/reference/GaAs.scf.out\nq-e-qe-7.6/PP/simple_transport/examples/scf/run_GaAs_scf\nq-e-qe-7.6/PP/simple_transport/src/\nq-e-qe-7.6/PP/simple_transport/src/Makefile\nq-e-qe-7.6/PP/simple_transport/src/cryst_to_car.f90\nq-e-qe-7.6/PP/simple_transport/src/dos.f90\nq-e-qe-7.6/PP/simple_transport/src/ef.f90\nq-e-qe-7.6/PP/simple_transport/src/fermi_int_0.f90\nq-e-qe-7.6/PP/simple_transport/src/fermi_int_1.f90\nq-e-qe-7.6/PP/simple_transport/src/lint.f90\nq-e-qe-7.6/PP/simple_transport/src/reducegrid.f90\nq-e-qe-7.6/PP/simple_transport/src/smearing_mod.f90\nq-e-qe-7.6/PP/simple_transport/src/vband_ibz.f90\nq-e-qe-7.6/PP/src/\nq-e-qe-7.6/PP/src/Makefile\nq-e-qe-7.6/PP/src/add_shift_cc.f90\nq-e-qe-7.6/PP/src/add_shift_lc.f90\nq-e-qe-7.6/PP/src/add_shift_us.f90\nq-e-qe-7.6/PP/src/adduscore.f90\nq-e-qe-7.6/PP/src/addusdens1d.f90\nq-e-qe-7.6/PP/src/average.f90\nq-e-qe-7.6/PP/src/band_interpolation.f90\nq-e-qe-7.6/PP/src/bands.f90\nq-e-qe-7.6/PP/src/bgw2pw.f90.orig\nq-e-qe-7.6/PP/src/chdens_bspline.f90\nq-e-qe-7.6/PP/src/chdens_bspline_sphere.f90\nq-e-qe-7.6/PP/src/chdens_module.f90\nq-e-qe-7.6/PP/src/compute_ppsi.f90\nq-e-qe-7.6/PP/src/compute_sigma_avg.f90\nq-e-qe-7.6/PP/src/cube.f90\nq-e-qe-7.6/PP/src/d3hess.f90\nq-e-qe-7.6/PP/src/d_matrix_nc.f90\nq-e-qe-7.6/PP/src/d_matrix_so.f90\nq-e-qe-7.6/PP/src/do_initial_state.f90\nq-e-qe-7.6/PP/src/do_shift_ew.f90\nq-e-qe-7.6/PP/src/dos.f90\nq-e-qe-7.6/PP/src/dosg.f90\nq-e-qe-7.6/PP/src/elf.f90\nq-e-qe-7.6/PP/src/epsilon.f90\nq-e-qe-7.6/PP/src/fermi_proj.f90\nq-e-qe-7.6/PP/src/fermi_velocity.f90\nq-e-qe-7.6/PP/src/fermisurface.f90\nq-e-qe-7.6/PP/src/fermisurfer_common.f90\nq-e-qe-7.6/PP/src/fft_interpolation_mod.f90\nq-e-qe-7.6/PP/src/fouriermod.f90\nq-e-qe-7.6/PP/src/ggen1d.f90\nq-e-qe-7.6/PP/src/globalmod.f90\nq-e-qe-7.6/PP/src/hubbard_projectors.f90\nq-e-qe-7.6/PP/src/idwmod.f90\nq-e-qe-7.6/PP/src/initial_state.f90\nq-e-qe-7.6/PP/src/lebedev.f90\nq-e-qe-7.6/PP/src/local_dos.f90\nq-e-qe-7.6/PP/src/local_dos1d.f90\nq-e-qe-7.6/PP/src/local_dos_mag.f90\nq-e-qe-7.6/PP/src/molecularpdos.f90\nq-e-qe-7.6/PP/src/open_grid.f90\nq-e-qe-7.6/PP/src/openfil_pp.f90\nq-e-qe-7.6/PP/src/oscdft_et.f90\nq-e-qe-7.6/PP/src/oscdft_et_mod.f90\nq-e-qe-7.6/PP/src/oscdft_pp.f90\nq-e-qe-7.6/PP/src/oscdft_pp_mod.f90\nq-e-qe-7.6/PP/src/partialdos.f90\nq-e-qe-7.6/PP/src/paw_postproc.f90\nq-e-qe-7.6/PP/src/pawplot.f90\nq-e-qe-7.6/PP/src/plan_avg.f90\nq-e-qe-7.6/PP/src/plotband.f90\nq-e-qe-7.6/PP/src/plotproj.f90\nq-e-qe-7.6/PP/src/plotrho.f90\nq-e-qe-7.6/PP/src/poormanwannier.f90\nq-e-qe-7.6/PP/src/postproc.f90\nq-e-qe-7.6/PP/src/postrism.f90\nq-e-qe-7.6/PP/src/pp_example.f90\nq-e-qe-7.6/PP/src/ppacf.f90\nq-e-qe-7.6/PP/src/projections_mod.f90\nq-e-qe-7.6/PP/src/projwfc.f90\nq-e-qe-7.6/PP/src/projwfc_box.f90\nq-e-qe-7.6/PP/src/punch_plot.f90\nq-e-qe-7.6/PP/src/punch_rism.f90\nq-e-qe-7.6/PP/src/pw2bgw.f90\nq-e-qe-7.6/PP/src/pw2critic.f90\nq-e-qe-7.6/PP/src/pw2gt.f90\nq-e-qe-7.6/PP/src/pw2gw.f90\nq-e-qe-7.6/PP/src/pw2wannier90.f90\nq-e-qe-7.6/PP/src/read_proj.f90\nq-e-qe-7.6/PP/src/smallgk.f90\nq-e-qe-7.6/PP/src/solvdens.f90\nq-e-qe-7.6/PP/src/stm.f90\nq-e-qe-7.6/PP/src/stop_pp.f90\nq-e-qe-7.6/PP/src/sum_band_kin.f90\nq-e-qe-7.6/PP/src/sumpdos.f90\nq-e-qe-7.6/PP/src/sym_band.f90\nq-e-qe-7.6/PP/src/vasp_read_chgcar_mod.f90\nq-e-qe-7.6/PP/src/vasp_xml_module.f90\nq-e-qe-7.6/PP/src/wannier2pw.f90\nq-e-qe-7.6/PP/src/wannier_enrg.f90\nq-e-qe-7.6/PP/src/wannier_ham.f90\nq-e-qe-7.6/PP/src/wannier_mod.f90\nq-e-qe-7.6/PP/src/wannier_plot.f90\nq-e-qe-7.6/PP/src/wannier_proj.f90\nq-e-qe-7.6/PP/src/wfck2r.f90\nq-e-qe-7.6/PP/src/work_function.f90\nq-e-qe-7.6/PP/src/write_hamiltonians.f90\nq-e-qe-7.6/PP/src/write_io_header.f90\nq-e-qe-7.6/PP/src/write_p_avg.f90\nq-e-qe-7.6/PP/src/write_proj.f90\nq-e-qe-7.6/PP/src/xc_vdW_scale_mod.f90\nq-e-qe-7.6/PP/tools/\nq-e-qe-7.6/PP/tools/sum_states.py\nq-e-qe-7.6/PW/\nq-e-qe-7.6/PW/CMakeLists.txt\nq-e-qe-7.6/PW/Doc/\nq-e-qe-7.6/PW/Doc/INPUT_OSCDFT.def\nq-e-qe-7.6/PW/Doc/INPUT_PW.def\nq-e-qe-7.6/PW/Doc/Makefile\nq-e-qe-7.6/PW/Doc/user_guide.tex\nq-e-qe-7.6/PW/Ford.md\nq-e-qe-7.6/PW/Ford/\nq-e-qe-7.6/PW/Ford/index.md\nq-e-qe-7.6/PW/Makefile\nq-e-qe-7.6/PW/examples/\nq-e-qe-7.6/PW/examples/ESM_example/\nq-e-qe-7.6/PW/examples/ESM_example/README\nq-e-qe-7.6/PW/examples/ESM_example/reference/\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc1.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc1.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc1.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_efield.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_efield.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_efield.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_m002.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_m002.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_m002.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_p002.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_p002.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_p002.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_pbc.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_pbc.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_pbc.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_bc1.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_bc1.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_bc1.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_pbc.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_pbc.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_pbc.xml\nq-e-qe-7.6/PW/examples/ESM_example/run_example\nq-e-qe-7.6/PW/examples/ESM_example/run_example_ESM\nq-e-qe-7.6/PW/examples/ESM_example/run_example_FCP\nq-e-qe-7.6/PW/examples/ESM_example/run_example_GCSCF\nq-e-qe-7.6/PW/examples/EXX_example/\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/CPBE085nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/CPBE1nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/NPBE085nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/NPBE1nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/OPBE085nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/OPBE1nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/README\nq-e-qe-7.6/PW/examples/EXX_example/README.gaupbe\nq-e-qe-7.6/PW/examples/EXX_example/reference/\nq-e-qe-7.6/PW/examples/EXX_example/reference/c.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/c.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/c.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/co.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/co.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/co.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n2.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n2.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n2.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o2.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o2.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o2.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.PBE0_nq=1.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.PBE0_nq=2.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.PBE0_nq=4.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.gaupbe_nq=1.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.gaupbe_nq=2.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.gaupbe_nq=4.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.hse_nq=1.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.hse_nq=2.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.hse_nq=4.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/summarize\nq-e-qe-7.6/PW/examples/EXX_example/run_example\nq-e-qe-7.6/PW/examples/Extffield_example/\nq-e-qe-7.6/PW/examples/Extffield_example/README\nq-e-qe-7.6/PW/examples/Extffield_example/reference/\nq-e-qe-7.6/PW/examples/Extffield_example/reference/SiH4.extffield\nq-e-qe-7.6/PW/examples/Extffield_example/reference/SiH4.inp\nq-e-qe-7.6/PW/examples/Extffield_example/reference/SiH4.out\nq-e-qe-7.6/PW/examples/Extffield_example/reference/extffield.dat\nq-e-qe-7.6/PW/examples/Extffield_example/run_example\nq-e-qe-7.6/PW/examples/README\nq-e-qe-7.6/PW/examples/RISM_example/\nq-e-qe-7.6/PW/examples/RISM_example/MOL/\nq-e-qe-7.6/PW/examples/RISM_example/MOL/Cl-.aq.MOL\nq-e-qe-7.6/PW/examples/RISM_example/MOL/Ethanol.oplsua.MOL\nq-e-qe-7.6/PW/examples/RISM_example/MOL/H2O.spc.MOL\nq-e-qe-7.6/PW/examples/RISM_example/MOL/Na+.aq.MOL\nq-e-qe-7.6/PW/examples/RISM_example/README\nq-e-qe-7.6/PW/examples/RISM_example/reference/\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.esm1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.rism1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.esm1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.rism1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/H2O.NaCl_aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/H2O.NaCl_aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/H2O.NaCl_aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/HCHO.aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/HCHO.aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/HCHO.aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.esm1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.rism1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.xml\nq-e-qe-7.6/PW/examples/RISM_example/run_example\nq-e-qe-7.6/PW/examples/RISM_example/run_example_3D-RISM\nq-e-qe-7.6/PW/examples/RISM_example/run_example_ESM-RISM\nq-e-qe-7.6/PW/examples/VCSexample/\nq-e-qe-7.6/PW/examples/VCSexample/README\nq-e-qe-7.6/PW/examples/VCSexample/reference/\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.bfgs00.out\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.bfgs500.out\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.vcs00.out\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.vcs500.out\nq-e-qe-7.6/PW/examples/VCSexample/run_example\nq-e-qe-7.6/PW/examples/clean_all\nq-e-qe-7.6/PW/examples/cluster_example/\nq-e-qe-7.6/PW/examples/cluster_example/README\nq-e-qe-7.6/PW/examples/cluster_example/reference/\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.eigenvalues\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-12\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-16\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-20\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-24\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.eigenvalues\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-12\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-16\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-20\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-24\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.eigenvalues\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-12\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-16\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-20\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-24\nq-e-qe-7.6/PW/examples/cluster_example/run_example\nq-e-qe-7.6/PW/examples/dftd3_example/\nq-e-qe-7.6/PW/examples/dftd3_example/reference/\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d2.in\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d2.out\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d3.in\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d3.out\nq-e-qe-7.6/PW/examples/dftd3_example/run_example\nq-e-qe-7.6/PW/examples/example01/\nq-e-qe-7.6/PW/examples/example01/README\nq-e-qe-7.6/PW/examples/example01/reference/\nq-e-qe-7.6/PW/examples/example01/reference/al.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/al.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/al.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/al.scf.david.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.scf.david.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.scf.david.out\nq-e-qe-7.6/PW/examples/example01/reference/si.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/si.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/si.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/si.scf.david.out\nq-e-qe-7.6/PW/examples/example01/run_example\nq-e-qe-7.6/PW/examples/example02/\nq-e-qe-7.6/PW/examples/example02/README\nq-e-qe-7.6/PW/examples/example02/reference/\nq-e-qe-7.6/PW/examples/example02/reference/al001.mm.out\nq-e-qe-7.6/PW/examples/example02/reference/al001.rx.out\nq-e-qe-7.6/PW/examples/example02/reference/co.rx.out\nq-e-qe-7.6/PW/examples/example02/run_example\nq-e-qe-7.6/PW/examples/example03/\nq-e-qe-7.6/PW/examples/example03/README\nq-e-qe-7.6/PW/examples/example03/reference/\nq-e-qe-7.6/PW/examples/example03/reference/si.md2.out\nq-e-qe-7.6/PW/examples/example03/reference/si.md2_G3X.out\nq-e-qe-7.6/PW/examples/example03/reference/si.md8.out\nq-e-qe-7.6/PW/examples/example03/run_example\nq-e-qe-7.6/PW/examples/example04/\nq-e-qe-7.6/PW/examples/example04/README\nq-e-qe-7.6/PW/examples/example04/reference/\nq-e-qe-7.6/PW/examples/example04/reference/BP.out\nq-e-qe-7.6/PW/examples/example04/reference/chg.out\nq-e-qe-7.6/PW/examples/example04/run_example\nq-e-qe-7.6/PW/examples/example05/\nq-e-qe-7.6/PW/examples/example05/README\nq-e-qe-7.6/PW/examples/example05/reference/\nq-e-qe-7.6/PW/examples/example05/reference/Ni_gamma_d8s2.out\nq-e-qe-7.6/PW/examples/example05/reference/Ni_gamma_d9s1.out\nq-e-qe-7.6/PW/examples/example05/reference/O.out\nq-e-qe-7.6/PW/examples/example05/reference/O_gamma.out\nq-e-qe-7.6/PW/examples/example05/reference/al.out\nq-e-qe-7.6/PW/examples/example05/run_example\nq-e-qe-7.6/PW/examples/example06/\nq-e-qe-7.6/PW/examples/example06/README\nq-e-qe-7.6/PW/examples/example06/reference/\nq-e-qe-7.6/PW/examples/example06/reference/cu.band.out\nq-e-qe-7.6/PW/examples/example06/reference/cu.cg.out\nq-e-qe-7.6/PW/examples/example06/reference/cu.scf.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.angl.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.band.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.pen.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.scf.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.total.out\nq-e-qe-7.6/PW/examples/example06/reference/ni.band.out\nq-e-qe-7.6/PW/examples/example06/reference/ni.scf.out\nq-e-qe-7.6/PW/examples/example06/reference/o2.relax.out\nq-e-qe-7.6/PW/examples/example06/run_example\nq-e-qe-7.6/PW/examples/example07/\nq-e-qe-7.6/PW/examples/example07/README\nq-e-qe-7.6/PW/examples/example07/reference/\nq-e-qe-7.6/PW/examples/example07/reference/bands.pt.re\nq-e-qe-7.6/PW/examples/example07/reference/pt.nscf.out\nq-e-qe-7.6/PW/examples/example07/reference/pt.scf.out\nq-e-qe-7.6/PW/examples/example07/run_example\nq-e-qe-7.6/PW/examples/example08/\nq-e-qe-7.6/PW/examples/example08/README\nq-e-qe-7.6/PW/examples/example08/reference/\nq-e-qe-7.6/PW/examples/example08/reference/feo_LDA.in\nq-e-qe-7.6/PW/examples/example08/reference/feo_standard.in\nq-e-qe-7.6/PW/examples/example08/reference/feo_user_ns.in\nq-e-qe-7.6/PW/examples/example08/run_example\nq-e-qe-7.6/PW/examples/example09/\nq-e-qe-7.6/PW/examples/example09/README\nq-e-qe-7.6/PW/examples/example09/reference/\nq-e-qe-7.6/PW/examples/example09/reference/c4h6.pw.metaGGA.out\nq-e-qe-7.6/PW/examples/example09/run_example\nq-e-qe-7.6/PW/examples/example10/\nq-e-qe-7.6/PW/examples/example10/README\nq-e-qe-7.6/PW/examples/example10/reference/\nq-e-qe-7.6/PW/examples/example10/reference/alas.scf.efield.out\nq-e-qe-7.6/PW/examples/example10/reference/alas.scf.efield2.out\nq-e-qe-7.6/PW/examples/example10/reference/si.scf.efield.out\nq-e-qe-7.6/PW/examples/example10/reference/si.scf.efield2.out\nq-e-qe-7.6/PW/examples/example10/run_example\nq-e-qe-7.6/PW/examples/example11/\nq-e-qe-7.6/PW/examples/example11/README\nq-e-qe-7.6/PW/examples/example11/reference/\nq-e-qe-7.6/PW/examples/example11/reference/Fe.band_pbe.out\nq-e-qe-7.6/PW/examples/example11/reference/Fe.scf_pbe.out\nq-e-qe-7.6/PW/examples/example11/run_example\nq-e-qe-7.6/PW/examples/example12/\nq-e-qe-7.6/PW/examples/example12/README\nq-e-qe-7.6/PW/examples/example12/reference/\nq-e-qe-7.6/PW/examples/example12/reference/Fe.bands.in\nq-e-qe-7.6/PW/examples/example12/reference/Fe.bands.out\nq-e-qe-7.6/PW/examples/example12/reference/Fe.scf.in\nq-e-qe-7.6/PW/examples/example12/reference/Fe.scf.out\nq-e-qe-7.6/PW/examples/example12/run_example\nq-e-qe-7.6/PW/examples/example13/\nq-e-qe-7.6/PW/examples/example13/reference/\nq-e-qe-7.6/PW/examples/example13/reference/LiCoO2.scf.in\nq-e-qe-7.6/PW/examples/example13/reference/LiCoO2.scf.out\nq-e-qe-7.6/PW/examples/example13/run_example\nq-e-qe-7.6/PW/examples/example14/\nq-e-qe-7.6/PW/examples/example14/README\nq-e-qe-7.6/PW/examples/example14/reference/\nq-e-qe-7.6/PW/examples/example14/reference/srvo3.dmft_scf.out\nq-e-qe-7.6/PW/examples/example14/reference/srvo3.nscf.out\nq-e-qe-7.6/PW/examples/example14/reference/srvo3.scf.out\nq-e-qe-7.6/PW/examples/example14/run_example\nq-e-qe-7.6/PW/examples/example14/srvo3_dmft.h5\nq-e-qe-7.6/PW/examples/example15/\nq-e-qe-7.6/PW/examples/example15/README\nq-e-qe-7.6/PW/examples/example15/reference1/\nq-e-qe-7.6/PW/examples/example15/reference1/FeO.scf.in\nq-e-qe-7.6/PW/examples/example15/reference1/oscdft.in\nq-e-qe-7.6/PW/examples/example15/reference2/\nq-e-qe-7.6/PW/examples/example15/reference2/FeO.scf.in\nq-e-qe-7.6/PW/examples/example15/reference2/oscdft.in\nq-e-qe-7.6/PW/examples/example15/run1\nq-e-qe-7.6/PW/examples/example15/run2\nq-e-qe-7.6/PW/examples/example16/\nq-e-qe-7.6/PW/examples/example16/README\nq-e-qe-7.6/PW/examples/example16/reference/\nq-e-qe-7.6/PW/examples/example16/reference/LiCoO2.scf.1.in\nq-e-qe-7.6/PW/examples/example16/reference/LiCoO2.scf.2.in\nq-e-qe-7.6/PW/examples/example16/run_example\nq-e-qe-7.6/PW/examples/example17/\nq-e-qe-7.6/PW/examples/example17/README\nq-e-qe-7.6/PW/examples/example17/reference/\nq-e-qe-7.6/PW/examples/example17/reference/LiCoO2.scf.in\nq-e-qe-7.6/PW/examples/example17/run_example\nq-e-qe-7.6/PW/examples/gammaDFT_example/\nq-e-qe-7.6/PW/examples/gammaDFT_example/README\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/MgO_1.in\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/MgO_2.in\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/MgO_3.in\nq-e-qe-7.6/PW/examples/gammaDFT_example/run_example\nq-e-qe-7.6/PW/examples/gatefield/\nq-e-qe-7.6/PW/examples/gatefield/reference/\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.bands.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.bands.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.bands.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.bands.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_-0.10.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_-0.10.out\nq-e-qe-7.6/PW/examples/gatefield/run_example\nq-e-qe-7.6/PW/examples/run_all_examples\nq-e-qe-7.6/PW/examples/vdwDF_example/\nq-e-qe-7.6/PW/examples/vdwDF_example/README\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/Ar.scf.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/graphite.scf.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/water.scf.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/graphite.scf.+1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/graphite.scf.-1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/graphite.scf.0.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/water.scf.+1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/water.scf.-1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/water.scf.0.out\nq-e-qe-7.6/PW/examples/vdwDF_example/run_example\nq-e-qe-7.6/PW/examples/vdwDF_example/run_example_delta_scf\nq-e-qe-7.6/PW/src/\nq-e-qe-7.6/PW/src/Coul_cut_2D.f90\nq-e-qe-7.6/PW/src/Makefile\nq-e-qe-7.6/PW/src/a2fmod.f90\nq-e-qe-7.6/PW/src/acfdt_in_pw.f90\nq-e-qe-7.6/PW/src/add_bfield.f90\nq-e-qe-7.6/PW/src/add_dmft_occ.f90\nq-e-qe-7.6/PW/src/add_efield.f90\nq-e-qe-7.6/PW/src/add_gatefield.f90\nq-e-qe-7.6/PW/src/add_paw_to_deeq.f90\nq-e-qe-7.6/PW/src/add_paw_to_deeq_acc.f90\nq-e-qe-7.6/PW/src/add_qexsd_step.f90\nq-e-qe-7.6/PW/src/add_vhub_to_deeq.f90\nq-e-qe-7.6/PW/src/add_vhub_to_deeq_acc.f90\nq-e-qe-7.6/PW/src/add_vuspsi.f90\nq-e-qe-7.6/PW/src/add_vuspsi_acc.f90\nq-e-qe-7.6/PW/src/addusdens.f90\nq-e-qe-7.6/PW/src/addusforce.f90\nq-e-qe-7.6/PW/src/addusstress.f90\nq-e-qe-7.6/PW/src/allocate_fft.f90\nq-e-qe-7.6/PW/src/allocate_locpot.f90\nq-e-qe-7.6/PW/src/allocate_wfc.f90\nq-e-qe-7.6/PW/src/atomic_rho.f90\nq-e-qe-7.6/PW/src/atomic_wfc.f90\nq-e-qe-7.6/PW/src/atomic_wfc_mod.f90\nq-e-qe-7.6/PW/src/average_pp.f90\nq-e-qe-7.6/PW/src/beef.f90\nq-e-qe-7.6/PW/src/bp_c_phase.f90\nq-e-qe-7.6/PW/src/bp_mod.f90\nq-e-qe-7.6/PW/src/bp_strings.f90\nq-e-qe-7.6/PW/src/buffers.f90\nq-e-qe-7.6/PW/src/c_bands.f90\nq-e-qe-7.6/PW/src/c_phase_field.f90\nq-e-qe-7.6/PW/src/cdiagh.f90\nq-e-qe-7.6/PW/src/clean_pw.f90\nq-e-qe-7.6/PW/src/close_files.f90\nq-e-qe-7.6/PW/src/commutator_Hx_psi.f90\nq-e-qe-7.6/PW/src/commutator_Vhubx_psi.f90\nq-e-qe-7.6/PW/src/compute_becsum.f90\nq-e-qe-7.6/PW/src/compute_deff.f90\nq-e-qe-7.6/PW/src/compute_dip.f90\nq-e-qe-7.6/PW/src/compute_qdipol.f90\nq-e-qe-7.6/PW/src/compute_qdipol_so.f90\nq-e-qe-7.6/PW/src/compute_rho.f90\nq-e-qe-7.6/PW/src/compute_ux.f90\nq-e-qe-7.6/PW/src/d3hess_mod.f90\nq-e-qe-7.6/PW/src/d_matrix.f90\nq-e-qe-7.6/PW/src/data_structure.f90\nq-e-qe-7.6/PW/src/diag_direct.f90\nq-e-qe-7.6/PW/src/divide_class.f90\nq-e-qe-7.6/PW/src/divide_class_so.f90\nq-e-qe-7.6/PW/src/divide_et_impera.f90\nq-e-qe-7.6/PW/src/dynamics_module.f90\nq-e-qe-7.6/PW/src/efermig.f90\nq-e-qe-7.6/PW/src/efermit.f90\nq-e-qe-7.6/PW/src/electrons.f90\nq-e-qe-7.6/PW/src/environ_io_stub.f90\nq-e-qe-7.6/PW/src/environ_pw_module.f90\nq-e-qe-7.6/PW/src/eqvect.f90\nq-e-qe-7.6/PW/src/esm.f90\nq-e-qe-7.6/PW/src/esm_common_mod.f90\nq-e-qe-7.6/PW/src/esm_ewald_mod.f90\nq-e-qe-7.6/PW/src/esm_force_mod.f90\nq-e-qe-7.6/PW/src/esm_hartree_mod.f90\nq-e-qe-7.6/PW/src/esm_local_mod.f90\nq-e-qe-7.6/PW/src/esm_stres_mod.f90\nq-e-qe-7.6/PW/src/ewald.f90\nq-e-qe-7.6/PW/src/ewald_dipole.f90\nq-e-qe-7.6/PW/src/extfield.f90\nq-e-qe-7.6/PW/src/exx.f90\nq-e-qe-7.6/PW/src/exx_base.f90\nq-e-qe-7.6/PW/src/exx_bp.f90\nq-e-qe-7.6/PW/src/exx_bp_utils.f90\nq-e-qe-7.6/PW/src/exx_std.f90\nq-e-qe-7.6/PW/src/fcp_capacitance.f90\nq-e-qe-7.6/PW/src/fcp_dyn_calcavg.f90\nq-e-qe-7.6/PW/src/fcp_dyn_printavg.f90\nq-e-qe-7.6/PW/src/fcp_dynamics.f90\nq-e-qe-7.6/PW/src/fcp_hessian.f90\nq-e-qe-7.6/PW/src/fcp_input.f90\nq-e-qe-7.6/PW/src/fcp_module.f90\nq-e-qe-7.6/PW/src/fcp_relaxation.f90\nq-e-qe-7.6/PW/src/find_group.f90\nq-e-qe-7.6/PW/src/force_cc.f90\nq-e-qe-7.6/PW/src/force_corr.f90\nq-e-qe-7.6/PW/src/force_ew.f90\nq-e-qe-7.6/PW/src/force_hub.f90\nq-e-qe-7.6/PW/src/force_lc.f90\nq-e-qe-7.6/PW/src/force_us.f90\nq-e-qe-7.6/PW/src/forces.f90\nq-e-qe-7.6/PW/src/forces_bp_efield.f90\nq-e-qe-7.6/PW/src/g2_kin.f90\nq-e-qe-7.6/PW/src/g_psi.f90\nq-e-qe-7.6/PW/src/g_psi_mod.f90\nq-e-qe-7.6/PW/src/gcscf_input.f90\nq-e-qe-7.6/PW/src/gcscf_module.f90\nq-e-qe-7.6/PW/src/gen_at_dj.f90\nq-e-qe-7.6/PW/src/gen_at_dy.f90\nq-e-qe-7.6/PW/src/get_locals.f90\nq-e-qe-7.6/PW/src/gk_sort.f90\nq-e-qe-7.6/PW/src/gradcorr.f90\nq-e-qe-7.6/PW/src/gweights.f90\nq-e-qe-7.6/PW/src/h_epsi_her_apply.f90\nq-e-qe-7.6/PW/src/h_epsi_her_set.f90\nq-e-qe-7.6/PW/src/h_psi.f90\nq-e-qe-7.6/PW/src/h_psi_meta.f90\nq-e-qe-7.6/PW/src/hinit0.f90\nq-e-qe-7.6/PW/src/hinit1.f90\nq-e-qe-7.6/PW/src/hs_1psi.f90\nq-e-qe-7.6/PW/src/hs_psi.f90\nq-e-qe-7.6/PW/src/hubbard.f90\nq-e-qe-7.6/PW/src/init_ns.f90\nq-e-qe-7.6/PW/src/init_nsg.f90\nq-e-qe-7.6/PW/src/init_q_aeps.f90\nq-e-qe-7.6/PW/src/init_run.f90\nq-e-qe-7.6/PW/src/init_us_2.f90\nq-e-qe-7.6/PW/src/init_vloc.f90\nq-e-qe-7.6/PW/src/input.f90\nq-e-qe-7.6/PW/src/intersite_V.f90\nq-e-qe-7.6/PW/src/io_rho_xml.f90\nq-e-qe-7.6/PW/src/irreducible_BZ.f90\nq-e-qe-7.6/PW/src/iweights.f90\nq-e-qe-7.6/PW/src/kpoint_grid.f90\nq-e-qe-7.6/PW/src/lchk_tauxk.f90\nq-e-qe-7.6/PW/src/ldaU.f90\nq-e-qe-7.6/PW/src/loc_scdm.f90\nq-e-qe-7.6/PW/src/loc_scdm_k.f90\nq-e-qe-7.6/PW/src/make_pointlists.f90\nq-e-qe-7.6/PW/src/manypw.f90\nq-e-qe-7.6/PW/src/martyna_tuckerman.f90\nq-e-qe-7.6/PW/src/memory_report.f90\nq-e-qe-7.6/PW/src/mix_rho.f90\nq-e-qe-7.6/PW/src/move_ions.f90\nq-e-qe-7.6/PW/src/multable.f90\nq-e-qe-7.6/PW/src/n_plane_waves.f90\nq-e-qe-7.6/PW/src/new_ns.f90\nq-e-qe-7.6/PW/src/new_nsb.f90\nq-e-qe-7.6/PW/src/new_nsg.f90\nq-e-qe-7.6/PW/src/new_occ.f90\nq-e-qe-7.6/PW/src/newd_acc.f90\nq-e-qe-7.6/PW/src/non_scf.f90\nq-e-qe-7.6/PW/src/ns_adj.f90\nq-e-qe-7.6/PW/src/offset_atom_wfc.f90\nq-e-qe-7.6/PW/src/openfil.f90\nq-e-qe-7.6/PW/src/orbm_kubo.f90\nq-e-qe-7.6/PW/src/orthoUwfc.f90\nq-e-qe-7.6/PW/src/ortho_wfc.f90\nq-e-qe-7.6/PW/src/orthoatwfc.f90\nq-e-qe-7.6/PW/src/oscdft_base.f90\nq-e-qe-7.6/PW/src/oscdft_context.f90\nq-e-qe-7.6/PW/src/oscdft_enums.f90\nq-e-qe-7.6/PW/src/oscdft_extended.f90\nq-e-qe-7.6/PW/src/oscdft_forces.f90\nq-e-qe-7.6/PW/src/oscdft_forces_subs.f90\nq-e-qe-7.6/PW/src/oscdft_functions.f90\nq-e-qe-7.6/PW/src/oscdft_functions_gpu.f90\nq-e-qe-7.6/PW/src/oscdft_indices.f90\nq-e-qe-7.6/PW/src/oscdft_input.f90\nq-e-qe-7.6/PW/src/oscdft_occupations.f90\nq-e-qe-7.6/PW/src/oscdft_wavefunction.f90\nq-e-qe-7.6/PW/src/oscdft_wavefunction_subs.f90\nq-e-qe-7.6/PW/src/oscdft_wfcO.f90\nq-e-qe-7.6/PW/src/output_tau.f90\nq-e-qe-7.6/PW/src/para.f90\nq-e-qe-7.6/PW/src/paw_exx.f90\nq-e-qe-7.6/PW/src/paw_init.f90\nq-e-qe-7.6/PW/src/paw_onecenter.f90\nq-e-qe-7.6/PW/src/paw_symmetry.f90\nq-e-qe-7.6/PW/src/plugin_check.f90\nq-e-qe-7.6/PW/src/plugin_clean.f90\nq-e-qe-7.6/PW/src/plugin_clock.f90\nq-e-qe-7.6/PW/src/plugin_ext_forces.f90\nq-e-qe-7.6/PW/src/plugin_init_cell.f90\nq-e-qe-7.6/PW/src/plugin_init_ions.f90\nq-e-qe-7.6/PW/src/plugin_init_potential.f90\nq-e-qe-7.6/PW/src/plugin_initbase.f90\nq-e-qe-7.6/PW/src/plugin_initialization.f90\nq-e-qe-7.6/PW/src/plugin_int_forces.f90\nq-e-qe-7.6/PW/src/plugin_print_energies.f90\nq-e-qe-7.6/PW/src/plugin_read_input.f90\nq-e-qe-7.6/PW/src/plugin_scf_energy.f90\nq-e-qe-7.6/PW/src/plugin_scf_potential.f90\nq-e-qe-7.6/PW/src/plugin_summary.f90\nq-e-qe-7.6/PW/src/plus_u_full.f90\nq-e-qe-7.6/PW/src/potinit.f90\nq-e-qe-7.6/PW/src/print_clock_pw.f90\nq-e-qe-7.6/PW/src/print_ks_energies.f90\nq-e-qe-7.6/PW/src/printpot.f90\nq-e-qe-7.6/PW/src/punch.f90\nq-e-qe-7.6/PW/src/pw2blip.f90\nq-e-qe-7.6/PW/src/pw2casino.f90\nq-e-qe-7.6/PW/src/pw2casino_write.f90\nq-e-qe-7.6/PW/src/pw_init_qexsd_input.f90\nq-e-qe-7.6/PW/src/pw_restart_new.f90\nq-e-qe-7.6/PW/src/pwcom.f90\nq-e-qe-7.6/PW/src/pwscf.f90\nq-e-qe-7.6/PW/src/rdiagh.f90\nq-e-qe-7.6/PW/src/read_conf_from_file.f90\nq-e-qe-7.6/PW/src/read_file_new.f90\nq-e-qe-7.6/PW/src/realus.f90\nq-e-qe-7.6/PW/src/remove_atomic_rho.f90\nq-e-qe-7.6/PW/src/report_mag.f90\nq-e-qe-7.6/PW/src/restart_in_electrons.f90\nq-e-qe-7.6/PW/src/rho2zeta.f90\nq-e-qe-7.6/PW/src/rism_module.f90\nq-e-qe-7.6/PW/src/rotate_wfc.f90\nq-e-qe-7.6/PW/src/run_driver.f90\nq-e-qe-7.6/PW/src/run_pwscf.f90\nq-e-qe-7.6/PW/src/ruotaijk.f90\nq-e-qe-7.6/PW/src/s_1psi.f90\nq-e-qe-7.6/PW/src/s_psi.f90\nq-e-qe-7.6/PW/src/save_in_cbands.f90\nq-e-qe-7.6/PW/src/save_in_electrons.f90\nq-e-qe-7.6/PW/src/scale_h.f90\nq-e-qe-7.6/PW/src/scf_mod.f90\nq-e-qe-7.6/PW/src/scissor.f90\nq-e-qe-7.6/PW/src/set_kplusq.f90\nq-e-qe-7.6/PW/src/set_kup_and_kdw.f90\nq-e-qe-7.6/PW/src/set_occupations.f90\nq-e-qe-7.6/PW/src/set_rhoc.f90\nq-e-qe-7.6/PW/src/set_spin_vars.f90\nq-e-qe-7.6/PW/src/set_vrs.f90\nq-e-qe-7.6/PW/src/setlocal.f90\nq-e-qe-7.6/PW/src/setup.f90\nq-e-qe-7.6/PW/src/sic.f90\nq-e-qe-7.6/PW/src/start_k.f90\nq-e-qe-7.6/PW/src/starting_scf_mod.f90\nq-e-qe-7.6/PW/src/stop_run.f90\nq-e-qe-7.6/PW/src/stres_cc.f90\nq-e-qe-7.6/PW/src/stres_ewa.f90\nq-e-qe-7.6/PW/src/stres_gradcorr.f90\nq-e-qe-7.6/PW/src/stres_har.f90\nq-e-qe-7.6/PW/src/stres_hub.f90\nq-e-qe-7.6/PW/src/stres_knl.f90\nq-e-qe-7.6/PW/src/stres_loc.f90\nq-e-qe-7.6/PW/src/stres_mgga.f90\nq-e-qe-7.6/PW/src/stres_nonloc_dft.f90\nq-e-qe-7.6/PW/src/stres_us.f90\nq-e-qe-7.6/PW/src/stress.f90\nq-e-qe-7.6/PW/src/struct_fact.f90\nq-e-qe-7.6/PW/src/sum_band.f90\nq-e-qe-7.6/PW/src/sumkg.f90\nq-e-qe-7.6/PW/src/sumkt.f90\nq-e-qe-7.6/PW/src/summary.f90\nq-e-qe-7.6/PW/src/symm_base.f90\nq-e-qe-7.6/PW/src/symme.f90\nq-e-qe-7.6/PW/src/symmetrize_at.f90\nq-e-qe-7.6/PW/src/tetra.f90\nq-e-qe-7.6/PW/src/transform_becsum_nc.f90\nq-e-qe-7.6/PW/src/transform_becsum_so.f90\nq-e-qe-7.6/PW/src/trnvecc.f90\nq-e-qe-7.6/PW/src/two_chem.f90\nq-e-qe-7.6/PW/src/update_pot.f90\nq-e-qe-7.6/PW/src/us_exx.f90\nq-e-qe-7.6/PW/src/usnldiag.f90\nq-e-qe-7.6/PW/src/utils.f90\nq-e-qe-7.6/PW/src/utils_gpu.f90\nq-e-qe-7.6/PW/src/v_hubbard.f90\nq-e-qe-7.6/PW/src/v_of_rho.f90\nq-e-qe-7.6/PW/src/vcsmd.f90\nq-e-qe-7.6/PW/src/vcsubs.f90\nq-e-qe-7.6/PW/src/vhpsi.f90\nq-e-qe-7.6/PW/src/vhpsi_U.f90\nq-e-qe-7.6/PW/src/vloc_psi_acc.f90\nq-e-qe-7.6/PW/src/vloc_psi_tg.f90\nq-e-qe-7.6/PW/src/wannier_check.f90\nq-e-qe-7.6/PW/src/wannier_clean.f90\nq-e-qe-7.6/PW/src/wannier_init.f90\nq-e-qe-7.6/PW/src/wannier_occ.f90\nq-e-qe-7.6/PW/src/weights.f90\nq-e-qe-7.6/PW/src/wfcinit.f90\nq-e-qe-7.6/PW/src/write_ns.f90\nq-e-qe-7.6/PW/src/wsweight.f90\nq-e-qe-7.6/PW/src/xdm_dispersion.f90\nq-e-qe-7.6/PW/tools/\nq-e-qe-7.6/PW/tools/MINpuT.ipynb\nq-e-qe-7.6/PW/tools/MINpuT.py\nq-e-qe-7.6/PW/tools/Makefile\nq-e-qe-7.6/PW/tools/README\nq-e-qe-7.6/PW/tools/README_MINpuT.txt\nq-e-qe-7.6/PW/tools/castep2qe.sh\nq-e-qe-7.6/PW/tools/cell2ibrav.f90\nq-e-qe-7.6/PW/tools/cif2qe.sh\nq-e-qe-7.6/PW/tools/ev.f90\nq-e-qe-7.6/PW/tools/graphene.cif\nq-e-qe-7.6/PW/tools/graphene_hBN.in\nq-e-qe-7.6/PW/tools/hBN.cif\nq-e-qe-7.6/PW/tools/ibrav2cell.f90\nq-e-qe-7.6/PW/tools/kpoints.f90\nq-e-qe-7.6/PW/tools/md_analyzer.sh\nq-e-qe-7.6/PW/tools/pwi2xsf.f90\nq-e-qe-7.6/PW/tools/pwi2xsf.sh\nq-e-qe-7.6/PW/tools/pwo2xsf.sh\nq-e-qe-7.6/PW/tools/qeout2axsf.sh\nq-e-qe-7.6/PW/tools/rism1d.f90\nq-e-qe-7.6/PW/tools/scan_ibrav.f90\nq-e-qe-7.6/PW/tools/system.cif\nq-e-qe-7.6/PW/tools/xsf2pwi.sh\nq-e-qe-7.6/PWCOND/\nq-e-qe-7.6/PWCOND/CMakeLists.txt\nq-e-qe-7.6/PWCOND/Doc/\nq-e-qe-7.6/PWCOND/Doc/INPUT_PWCOND.def\nq-e-qe-7.6/PWCOND/Doc/Makefile\nq-e-qe-7.6/PWCOND/Makefile\nq-e-qe-7.6/PWCOND/examples/\nq-e-qe-7.6/PWCOND/examples/clean_all\nq-e-qe-7.6/PWCOND/examples/example01/\nq-e-qe-7.6/PWCOND/examples/example01/README\nq-e-qe-7.6/PWCOND/examples/example01/reference/\nq-e-qe-7.6/PWCOND/examples/example01/reference/AlwireAl.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/AlwireH.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/AlwireH.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/al.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/al.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/alwire.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/alwire.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/alwire1.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.al.co\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.al.im\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.al.re\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.alwire.co\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.alwire.im\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.alwire.re\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.ni_down.co\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.ni_down.im\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.ni_down.re\nq-e-qe-7.6/PWCOND/examples/example01/reference/ni.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/ni.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/trans.alwire\nq-e-qe-7.6/PWCOND/examples/example01/reference/trans.alwireh\nq-e-qe-7.6/PWCOND/examples/example01/run_example\nq-e-qe-7.6/PWCOND/examples/example02/\nq-e-qe-7.6/PWCOND/examples/example02/README\nq-e-qe-7.6/PWCOND/examples/example02/reference/\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt.cond.out\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt.cond_t.out\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt.tet.out\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt4.out\nq-e-qe-7.6/PWCOND/examples/example02/run_example\nq-e-qe-7.6/PWCOND/examples/example03/\nq-e-qe-7.6/PWCOND/examples/example03/README\nq-e-qe-7.6/PWCOND/examples/example03/reference/\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire1.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire1U.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/AuwireU.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/AuwireU.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwire.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwire.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwireU.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwireU.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.co_im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.co_re\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.re\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.co_im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.co_re\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.re\nq-e-qe-7.6/PWCOND/examples/example03/reference/plot_results.gnu\nq-e-qe-7.6/PWCOND/examples/example03/reference/trans.AuwireCO\nq-e-qe-7.6/PWCOND/examples/example03/reference/transU.AuwireCO\nq-e-qe-7.6/PWCOND/examples/example03/run_example\nq-e-qe-7.6/PWCOND/examples/run_all_examples\nq-e-qe-7.6/PWCOND/src/\nq-e-qe-7.6/PWCOND/src/Makefile\nq-e-qe-7.6/PWCOND/src/allocate_cond.f90\nq-e-qe-7.6/PWCOND/src/bessj.f90\nq-e-qe-7.6/PWCOND/src/compbs.f90\nq-e-qe-7.6/PWCOND/src/compbs_2.f90\nq-e-qe-7.6/PWCOND/src/cond_out.f90\nq-e-qe-7.6/PWCOND/src/cond_restart.f90\nq-e-qe-7.6/PWCOND/src/condcom.f90\nq-e-qe-7.6/PWCOND/src/condmain.f90\nq-e-qe-7.6/PWCOND/src/do_cond.f90\nq-e-qe-7.6/PWCOND/src/eigenchnl.f90\nq-e-qe-7.6/PWCOND/src/form_zk.f90\nq-e-qe-7.6/PWCOND/src/four.f90\nq-e-qe-7.6/PWCOND/src/free_mem.f90\nq-e-qe-7.6/PWCOND/src/gep_x.f90\nq-e-qe-7.6/PWCOND/src/gramsh.f90\nq-e-qe-7.6/PWCOND/src/hev_ab.f90\nq-e-qe-7.6/PWCOND/src/init_cond.f90\nq-e-qe-7.6/PWCOND/src/init_gper.f90\nq-e-qe-7.6/PWCOND/src/init_orbitals.f90\nq-e-qe-7.6/PWCOND/src/integrals.f90\nq-e-qe-7.6/PWCOND/src/jbloch.f90\nq-e-qe-7.6/PWCOND/src/kbloch.f90\nq-e-qe-7.6/PWCOND/src/local.f90\nq-e-qe-7.6/PWCOND/src/local_set.f90\nq-e-qe-7.6/PWCOND/src/openfil_cond.f90\nq-e-qe-7.6/PWCOND/src/plus_u_setup.f90\nq-e-qe-7.6/PWCOND/src/poten.f90\nq-e-qe-7.6/PWCOND/src/print_clock_pwcond.f90\nq-e-qe-7.6/PWCOND/src/realus_scatt.f90\nq-e-qe-7.6/PWCOND/src/rotproc.f90\nq-e-qe-7.6/PWCOND/src/save_cond.f90\nq-e-qe-7.6/PWCOND/src/scat_states_plot.f90\nq-e-qe-7.6/PWCOND/src/scatter_forw.f90\nq-e-qe-7.6/PWCOND/src/summary_band.f90\nq-e-qe-7.6/PWCOND/src/summary_tran.f90\nq-e-qe-7.6/PWCOND/src/sunitary.f90\nq-e-qe-7.6/PWCOND/src/transmit.f90\nq-e-qe-7.6/QEHeat/\nq-e-qe-7.6/QEHeat/CMakeLists.txt\nq-e-qe-7.6/QEHeat/Doc/\nq-e-qe-7.6/QEHeat/Doc/INPUT_ALL_CURRENTS.def\nq-e-qe-7.6/QEHeat/Doc/Makefile\nq-e-qe-7.6/QEHeat/Doc/input_xx.xsl\nq-e-qe-7.6/QEHeat/Makefile\nq-e-qe-7.6/QEHeat/README\nq-e-qe-7.6/QEHeat/examples/\nq-e-qe-7.6/QEHeat/examples/README.md\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/input\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/current_hz\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/current_hz.dat\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/output\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/run_example.sh\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/traj.pos\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/traj.vel\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/input_energycurrent\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/current_hz\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/current_hz.dat\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/output_energycurrent\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/run_example.sh\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/input_all_currents\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/input_cp\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/current_hz\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/current_hz.dat\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/out_all_currents\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/out_cp\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.0_0\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.cel\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.con\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.eig\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.evp\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.for\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.hrs\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.ncg\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.nos\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.pol\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.pos\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.spr\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.str\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.the\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.vel\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.wfc\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/run_example_water\nq-e-qe-7.6/QEHeat/examples/pseudo/\nq-e-qe-7.6/QEHeat/examples/pseudo/Ar_ONCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/H_HSCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/O_HSCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/O_ONCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/Si_ONCV_PBE-1.1.upf\nq-e-qe-7.6/QEHeat/src/\nq-e-qe-7.6/QEHeat/src/Makefile\nq-e-qe-7.6/QEHeat/src/all_currents.f90\nq-e-qe-7.6/QEHeat/src/averages.f90\nq-e-qe-7.6/QEHeat/src/compute_charge.f90\nq-e-qe-7.6/QEHeat/src/cpv_traj.f90\nq-e-qe-7.6/QEHeat/src/cpv_traj_test.f90\nq-e-qe-7.6/QEHeat/src/ec_functionals.f90\nq-e-qe-7.6/QEHeat/src/hartree_xc_mod.f90\nq-e-qe-7.6/QEHeat/src/init_us_3.f90\nq-e-qe-7.6/QEHeat/src/ionic_mod.f90\nq-e-qe-7.6/QEHeat/src/kohn_sham_mod.f90\nq-e-qe-7.6/QEHeat/src/project.f90\nq-e-qe-7.6/QEHeat/src/scf_result.f90\nq-e-qe-7.6/QEHeat/src/test_h_psi_s_psi_commutator_Hx_psi.f90\nq-e-qe-7.6/QEHeat/src/traj_object.f90\nq-e-qe-7.6/QEHeat/src/zero_mod.f90\nq-e-qe-7.6/README.md\nq-e-qe-7.6/README_GPU.md\nq-e-qe-7.6/TDDFPT/\nq-e-qe-7.6/TDDFPT/.dependencies\nq-e-qe-7.6/TDDFPT/CMakeLists.txt\nq-e-qe-7.6/TDDFPT/ColorCalculator/\nq-e-qe-7.6/TDDFPT/ColorCalculator/CIEx\nq-e-qe-7.6/TDDFPT/ColorCalculator/CIEy\nq-e-qe-7.6/TDDFPT/ColorCalculator/CIEz\nq-e-qe-7.6/TDDFPT/ColorCalculator/ColorCalculator5.jar\nq-e-qe-7.6/TDDFPT/ColorCalculator/D65.light\nq-e-qe-7.6/TDDFPT/ColorCalculator/Install\nq-e-qe-7.6/TDDFPT/ColorCalculator/Makefile\nq-e-qe-7.6/TDDFPT/ColorCalculator/README\nq-e-qe-7.6/TDDFPT/ColorCalculator/colorBlue.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/pelargonin_inter_sort.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/pelargonin_no_inter.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/pelargonin_no_inter_no_sort.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/ColorCalculator.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/ColorWindow.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/GUITools.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/Graph.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/GraphFactory.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/Manifest.txt\nq-e-qe-7.6/TDDFPT/Doc/\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Davidson.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_EELS.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Lanczos.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Magnon.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Spectrum.def\nq-e-qe-7.6/TDDFPT/Doc/Makefile\nq-e-qe-7.6/TDDFPT/Makefile\nq-e-qe-7.6/TDDFPT/README\nq-e-qe-7.6/TDDFPT/examples/\nq-e-qe-7.6/TDDFPT/examples/README\nq-e-qe-7.6/TDDFPT/examples/clean_all\nq-e-qe-7.6/TDDFPT/examples/example01/\nq-e-qe-7.6/TDDFPT/examples/example01/reference/\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example01/run_example\nq-e-qe-7.6/TDDFPT/examples/example02/\nq-e-qe-7.6/TDDFPT/examples/example02/reference/\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.scf.in\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.scf.out\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example02/run_example\nq-e-qe-7.6/TDDFPT/examples/example03/\nq-e-qe-7.6/TDDFPT/examples/example03/reference/\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.scf.in\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.scf.out\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example03/run_example\nq-e-qe-7.6/TDDFPT/examples/example04/\nq-e-qe-7.6/TDDFPT/examples/example04/reference/\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example04/run_example\nq-e-qe-7.6/TDDFPT/examples/example05/\nq-e-qe-7.6/TDDFPT/examples/example05/reference/\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example05/run_example\nq-e-qe-7.6/TDDFPT/examples/example06/\nq-e-qe-7.6/TDDFPT/examples/example06/reference/\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt2.in\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt2.out\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example06/reference/README\nq-e-qe-7.6/TDDFPT/examples/example06/run_example\nq-e-qe-7.6/TDDFPT/examples/example07/\nq-e-qe-7.6/TDDFPT/examples/example07/reference/\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example07/reference/environ.in\nq-e-qe-7.6/TDDFPT/examples/example07/run_example\nq-e-qe-7.6/TDDFPT/examples/example08/\nq-e-qe-7.6/TDDFPT/examples/example08/reference/\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.eigen\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example08/run_example\nq-e-qe-7.6/TDDFPT/examples/example09/\nq-e-qe-7.6/TDDFPT/examples/example09/reference/\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.eigen\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.scf.in\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.scf.out\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example09/run_example\nq-e-qe-7.6/TDDFPT/examples/example10/\nq-e-qe-7.6/TDDFPT/examples/example10/reference/\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.eigen\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example10/run_example\nq-e-qe-7.6/TDDFPT/examples/example11/\nq-e-qe-7.6/TDDFPT/examples/example11/reference/\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.eigen\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example11/reference/environ.in\nq-e-qe-7.6/TDDFPT/examples/example11/run_example\nq-e-qe-7.6/TDDFPT/examples/example12/\nq-e-qe-7.6/TDDFPT/examples/example12/reference/\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.eigen\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.pp.in\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.pp.out\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.scf.in\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.scf.out\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example12/reference/drho-of-eign-1.cube\nq-e-qe-7.6/TDDFPT/examples/example12/run_example\nq-e-qe-7.6/TDDFPT/examples/example13/\nq-e-qe-7.6/TDDFPT/examples/example13/reference/\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.scf.in\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.scf.out\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example13/run_example\nq-e-qe-7.6/TDDFPT/examples/example14/\nq-e-qe-7.6/TDDFPT/examples/example14/reference/\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.scf.in\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.scf.out\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example14/run_example\nq-e-qe-7.6/TDDFPT/examples/example15/\nq-e-qe-7.6/TDDFPT/examples/example15/reference/\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.scf.in\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.scf.out\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example15/run_example\nq-e-qe-7.6/TDDFPT/examples/example16/\nq-e-qe-7.6/TDDFPT/examples/example16/reference/\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.scf.in\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.scf.out\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example16/run_example\nq-e-qe-7.6/TDDFPT/examples/example17/\nq-e-qe-7.6/TDDFPT/examples/example17/reference/\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.scf.in\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.scf.out\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example17/run_example\nq-e-qe-7.6/TDDFPT/examples/example18/\nq-e-qe-7.6/TDDFPT/examples/example18/reference/\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.scf.in\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.scf.out\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example18/run_example\nq-e-qe-7.6/TDDFPT/examples/example19/\nq-e-qe-7.6/TDDFPT/examples/example19/reference/\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.scf.in\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.scf.out\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example19/run_example\nq-e-qe-7.6/TDDFPT/examples/run_all_examples\nq-e-qe-7.6/TDDFPT/src/\nq-e-qe-7.6/TDDFPT/src/Makefile\nq-e-qe-7.6/TDDFPT/src/bcast_lr_input.f90\nq-e-qe-7.6/TDDFPT/src/dveqpsi_us.f90\nq-e-qe-7.6/TDDFPT/src/dveqpsi_us_only.f90\nq-e-qe-7.6/TDDFPT/src/environ_td_module.f90\nq-e-qe-7.6/TDDFPT/src/linear_solvers.f90\nq-e-qe-7.6/TDDFPT/src/lr_Opsi_magnons.f90\nq-e-qe-7.6/TDDFPT/src/lr_addus_dvpsi.f90\nq-e-qe-7.6/TDDFPT/src/lr_alloc_init.f90\nq-e-qe-7.6/TDDFPT/src/lr_apply_liouvillian.f90\nq-e-qe-7.6/TDDFPT/src/lr_apply_liouvillian_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_apply_liouvillian_magnons.f90\nq-e-qe-7.6/TDDFPT/src/lr_calc_dens.f90\nq-e-qe-7.6/TDDFPT/src/lr_calc_dens_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_calc_dens_eels_nc.f90\nq-e-qe-7.6/TDDFPT/src/lr_calc_dens_magnons.f90\nq-e-qe-7.6/TDDFPT/src/lr_charg_resp.f90\nq-e-qe-7.6/TDDFPT/src/lr_compute_intq.f90\nq-e-qe-7.6/TDDFPT/src/lr_dav_main.f90\nq-e-qe-7.6/TDDFPT/src/lr_dav_routines.f90\nq-e-qe-7.6/TDDFPT/src/lr_dav_variables.f90\nq-e-qe-7.6/TDDFPT/src/lr_dealloc.f90\nq-e-qe-7.6/TDDFPT/src/lr_dv_setup.f90\nq-e-qe-7.6/TDDFPT/src/lr_dvpsi_e.f90\nq-e-qe-7.6/TDDFPT/src/lr_dvpsi_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_dvpsi_magnons.f90\nq-e-qe-7.6/TDDFPT/src/lr_eels_main.f90\nq-e-qe-7.6/TDDFPT/src/lr_exx_kernel.f90\nq-e-qe-7.6/TDDFPT/src/lr_init_nfo.f90\nq-e-qe-7.6/TDDFPT/src/lr_lanczos.f90\nq-e-qe-7.6/TDDFPT/src/lr_magnons_main.f90\nq-e-qe-7.6/TDDFPT/src/lr_magnons_routines.f90\nq-e-qe-7.6/TDDFPT/src/lr_main.f90\nq-e-qe-7.6/TDDFPT/src/lr_mix_pot.f90\nq-e-qe-7.6/TDDFPT/src/lr_normalise.f90\nq-e-qe-7.6/TDDFPT/src/lr_ortho.f90\nq-e-qe-7.6/TDDFPT/src/lr_psym_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_read_d0psi.f90\nq-e-qe-7.6/TDDFPT/src/lr_read_wf.f90\nq-e-qe-7.6/TDDFPT/src/lr_readin.f90\nq-e-qe-7.6/TDDFPT/src/lr_restart.f90\nq-e-qe-7.6/TDDFPT/src/lr_run_nscf.f90\nq-e-qe-7.6/TDDFPT/src/lr_set_boxes_density.f90\nq-e-qe-7.6/TDDFPT/src/lr_set_intq_nc.f90\nq-e-qe-7.6/TDDFPT/src/lr_setup_nscf.f90\nq-e-qe-7.6/TDDFPT/src/lr_smallgq.f90\nq-e-qe-7.6/TDDFPT/src/lr_solve_e.f90\nq-e-qe-7.6/TDDFPT/src/lr_sternheimer.f90\nq-e-qe-7.6/TDDFPT/src/lr_summary.f90\nq-e-qe-7.6/TDDFPT/src/lr_sym_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_test_restart.f90\nq-e-qe-7.6/TDDFPT/src/lr_transform_intq_nc.f90\nq-e-qe-7.6/TDDFPT/src/lr_transform_intq_so.f90\nq-e-qe-7.6/TDDFPT/src/lr_us.f90\nq-e-qe-7.6/TDDFPT/src/lr_variables.f90\nq-e-qe-7.6/TDDFPT/src/lr_write_restart.f90\nq-e-qe-7.6/TDDFPT/src/paw_add_symmetry.f90\nq-e-qe-7.6/TDDFPT/src/plugin_tddfpt_potential.f90\nq-e-qe-7.6/TDDFPT/src/print_clock_lr.f90\nq-e-qe-7.6/TDDFPT/src/sd0psi.f90\nq-e-qe-7.6/TDDFPT/src/stop_lr.f90\nq-e-qe-7.6/TDDFPT/src/turbo_spectrum.f90\nq-e-qe-7.6/UtilXlib/\nq-e-qe-7.6/UtilXlib/CMakeLists.txt\nq-e-qe-7.6/UtilXlib/Makefile\nq-e-qe-7.6/UtilXlib/Makefile.test\nq-e-qe-7.6/UtilXlib/README.md\nq-e-qe-7.6/UtilXlib/c_mkdir.c\nq-e-qe-7.6/UtilXlib/clib_wrappers.f90\nq-e-qe-7.6/UtilXlib/clocks_handler.f90\nq-e-qe-7.6/UtilXlib/copy.c\nq-e-qe-7.6/UtilXlib/cptimer.c\nq-e-qe-7.6/UtilXlib/data_buffer.f90\nq-e-qe-7.6/UtilXlib/device_helper.f90\nq-e-qe-7.6/UtilXlib/divide.f90\nq-e-qe-7.6/UtilXlib/error_handler.f90\nq-e-qe-7.6/UtilXlib/eval_infix.c\nq-e-qe-7.6/UtilXlib/export_gstart_2_solvers.f90\nq-e-qe-7.6/UtilXlib/find_free_unit.f90\nq-e-qe-7.6/UtilXlib/fletcher32.c\nq-e-qe-7.6/UtilXlib/fletcher32_mod.f90\nq-e-qe-7.6/UtilXlib/hash.f90\nq-e-qe-7.6/UtilXlib/md5.c\nq-e-qe-7.6/UtilXlib/md5.h\nq-e-qe-7.6/UtilXlib/md5_from_file.c\nq-e-qe-7.6/UtilXlib/mem_counter.f90\nq-e-qe-7.6/UtilXlib/memstat.c\nq-e-qe-7.6/UtilXlib/memusage.c\nq-e-qe-7.6/UtilXlib/mp.f90\nq-e-qe-7.6/UtilXlib/mp_bands_util.f90\nq-e-qe-7.6/UtilXlib/mp_base.f90\nq-e-qe-7.6/UtilXlib/mp_base_gpu.f90\nq-e-qe-7.6/UtilXlib/nvtx_wrapper.f90\nq-e-qe-7.6/UtilXlib/parallel_include.f90\nq-e-qe-7.6/UtilXlib/print_mem.f90\nq-e-qe-7.6/UtilXlib/ptrace.c\nq-e-qe-7.6/UtilXlib/set_mpi_comm_4_solvers.f90\nq-e-qe-7.6/UtilXlib/tests/\nq-e-qe-7.6/UtilXlib/tests/Makefile\nq-e-qe-7.6/UtilXlib/tests/README.md\nq-e-qe-7.6/UtilXlib/tests/compile_and_run_tests.sh\nq-e-qe-7.6/UtilXlib/tests/gen_tests.py\nq-e-qe-7.6/UtilXlib/tests/mp_world.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_allgatherv_type_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_alltoall.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_alltoall_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_c4d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_c5d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_c6d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_i1.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_i1_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_i4d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_im.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_im_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_it.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_it_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_iv.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_iv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_iv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_iv_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_lv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_lv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_r4d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_r5d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_rv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_rv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_circular_shift_left_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_count_nodes.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_gather_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_gatherv_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_gatherv_type_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_get_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_iv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_iv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_rv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_rv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_iv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_iv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_rv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_rv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_put_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_root_sum_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_iv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_iv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_rv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_rv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_offload_macros.f90\nq-e-qe-7.6/UtilXlib/tests/tester.f90\nq-e-qe-7.6/UtilXlib/tests/utils.f90\nq-e-qe-7.6/UtilXlib/thread_util.f90\nq-e-qe-7.6/UtilXlib/util_param.f90\nq-e-qe-7.6/XClib/\nq-e-qe-7.6/XClib/CMakeLists.txt\nq-e-qe-7.6/XClib/Ford/\nq-e-qe-7.6/XClib/Ford/Ford.md\nq-e-qe-7.6/XClib/Ford/pagedir/\nq-e-qe-7.6/XClib/Ford/pagedir/index.md\nq-e-qe-7.6/XClib/Makefile\nq-e-qe-7.6/XClib/README.BEEF\nq-e-qe-7.6/XClib/README.TEST\nq-e-qe-7.6/XClib/beefleg.h\nq-e-qe-7.6/XClib/beefun.c\nq-e-qe-7.6/XClib/dft_setting_params.f90\nq-e-qe-7.6/XClib/dft_setting_routines.f90\nq-e-qe-7.6/XClib/pbecor.c\nq-e-qe-7.6/XClib/pbecor.h\nq-e-qe-7.6/XClib/qe_constants.f90\nq-e-qe-7.6/XClib/qe_dft_list.f90\nq-e-qe-7.6/XClib/qe_dft_refs.f90\nq-e-qe-7.6/XClib/qe_drivers_d_gga.f90\nq-e-qe-7.6/XClib/qe_drivers_d_lda_lsda.f90\nq-e-qe-7.6/XClib/qe_drivers_gga.f90\nq-e-qe-7.6/XClib/qe_drivers_lda_lsda.f90\nq-e-qe-7.6/XClib/qe_drivers_mgga.f90\nq-e-qe-7.6/XClib/qe_funct_corr_gga.f90\nq-e-qe-7.6/XClib/qe_funct_corr_lda_lsda.f90\nq-e-qe-7.6/XClib/qe_funct_exch_gga.f90\nq-e-qe-7.6/XClib/qe_funct_exch_lda_lsda.f90\nq-e-qe-7.6/XClib/qe_funct_mgga.f90\nq-e-qe-7.6/XClib/qe_kind.f90\nq-e-qe-7.6/XClib/test_input_files/\nq-e-qe-7.6/XClib/test_input_files/all_shorts.xml\nq-e-qe-7.6/XClib/test_input_files/all_terms.xml\nq-e-qe-7.6/XClib/test_input_files/exe_test.in\nq-e-qe-7.6/XClib/test_input_files/gen_test.in\nq-e-qe-7.6/XClib/test_input_files/test_all_shorts.in\nq-e-qe-7.6/XClib/test_input_files/test_all_terms.in\nq-e-qe-7.6/XClib/xc_beef_interface.f90\nq-e-qe-7.6/XClib/xc_infos.f90\nq-e-qe-7.6/XClib/xc_lib.f90\nq-e-qe-7.6/XClib/xc_wrapper_d_gga.f90\nq-e-qe-7.6/XClib/xc_wrapper_d_lda_lsda.f90\nq-e-qe-7.6/XClib/xc_wrapper_gga.f90\nq-e-qe-7.6/XClib/xc_wrapper_lda_lsda.f90\nq-e-qe-7.6/XClib/xc_wrapper_mgga.f90\nq-e-qe-7.6/XClib/xclib_error.f90\nq-e-qe-7.6/XClib/xclib_test.f90\nq-e-qe-7.6/XClib/xclib_utils_and_para.f90\nq-e-qe-7.6/XSpectra/\nq-e-qe-7.6/XSpectra/CMakeLists.txt\nq-e-qe-7.6/XSpectra/Doc/\nq-e-qe-7.6/XSpectra/Doc/INPUT_MOLECULARNEXAFS\nq-e-qe-7.6/XSpectra/Doc/INPUT_SPECTRA_CORRECTION\nq-e-qe-7.6/XSpectra/Doc/INPUT_SPECTRA_MANIPULATION\nq-e-qe-7.6/XSpectra/Doc/INPUT_XSPECTRA\nq-e-qe-7.6/XSpectra/Makefile\nq-e-qe-7.6/XSpectra/README\nq-e-qe-7.6/XSpectra/examples/\nq-e-qe-7.6/XSpectra/examples/pseudo/\nq-e-qe-7.6/XSpectra/examples/pseudo/C_PBE_TM_2pj.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Ch_PBE_TM_2pj.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Cu_US_PBE_3pj_lowE.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Cu_halfh_US_PBE_3pj.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Ni_PBE_TM_2pj.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/O_PBE_TM.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/O_PBE_USPP.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Si_PBE_USPP.UPF\nq-e-qe-7.6/XSpectra/examples/reference/\nq-e-qe-7.6/XSpectra/examples/reference/C.wfc\nq-e-qe-7.6/XSpectra/examples/reference/Cu.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/Cu.wfc\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh_xspectra.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh_xspectra.out\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh_xspectra_xonlyplot.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xanes_L2.dat\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xanes_L2.sav\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xanes_L2_lplus.dat\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xanes_L2_lplus.sav\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xspectra.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xspectra.out\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xspectra_lplus.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xspectra_lplus.out\nq-e-qe-7.6/XSpectra/examples/reference/Cuhalfh_xanes_L2.dat\nq-e-qe-7.6/XSpectra/examples/reference/Cuhalfh_xanes_L2.sav\nq-e-qe-7.6/XSpectra/examples/reference/Cuhalfh_xanes_L2_xonlyplot.dat\nq-e-qe-7.6/XSpectra/examples/reference/Ni.wfc\nq-e-qe-7.6/XSpectra/examples/reference/NiO.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/NiO.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip.dat\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip.in\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip.out\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip.sav\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip_replot.dat\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip_replot.in\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip_replot.out\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_qua.dat\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_qua.in\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_qua.out\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_qua.sav\nq-e-qe-7.6/XSpectra/examples/reference/Si.wfc\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_c.dat\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_c.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_c.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_c.sav\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_plane.dat\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_plane.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_plane.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_plane.sav\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.sav\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.dat\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.sav\nq-e-qe-7.6/XSpectra/examples/reference/diamond.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/diamond.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra.dat\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra.in\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra.out\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra.sav\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_fermi.in\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_fermi.out\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_replot.dat\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_replot.in\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_replot.out\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra.dat\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra.in\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra.out\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra.sav\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra_fermi.in\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra_fermi.out\nq-e-qe-7.6/XSpectra/examples/run_example_Cu_L23\nq-e-qe-7.6/XSpectra/examples/run_example_NiO\nq-e-qe-7.6/XSpectra/examples/run_example_SiO2_USPP\nq-e-qe-7.6/XSpectra/examples/run_example_diamond\nq-e-qe-7.6/XSpectra/src/\nq-e-qe-7.6/XSpectra/src/Makefile\nq-e-qe-7.6/XSpectra/src/assign_paw_radii_to_species.f90\nq-e-qe-7.6/XSpectra/src/banner_xspectra.f90\nq-e-qe-7.6/XSpectra/src/check_orthogonality_k_epsilon.f90\nq-e-qe-7.6/XSpectra/src/gaunt_mod.f90\nq-e-qe-7.6/XSpectra/src/init_gipaw_1.f90\nq-e-qe-7.6/XSpectra/src/init_gipaw_2.f90\nq-e-qe-7.6/XSpectra/src/io_routines.f90\nq-e-qe-7.6/XSpectra/src/ipoolscatter.f90\nq-e-qe-7.6/XSpectra/src/lanczos.f90\nq-e-qe-7.6/XSpectra/src/lr_sm1_psi.f90\nq-e-qe-7.6/XSpectra/src/molecularnexafs.f90\nq-e-qe-7.6/XSpectra/src/mygetK.f90\nq-e-qe-7.6/XSpectra/src/paw_gipaw.f90\nq-e-qe-7.6/XSpectra/src/plot_xanes_cross_sections.f90\nq-e-qe-7.6/XSpectra/src/radin_mod.f90\nq-e-qe-7.6/XSpectra/src/read_input_and_bcast.f90\nq-e-qe-7.6/XSpectra/src/read_k_points.f90\nq-e-qe-7.6/XSpectra/src/reset_k_points_and_reinit.f90\nq-e-qe-7.6/XSpectra/src/select_nl_init.f90\nq-e-qe-7.6/XSpectra/src/set_xspectra_namelists_defaults.f90\nq-e-qe-7.6/XSpectra/src/spectra_correction.f90\nq-e-qe-7.6/XSpectra/src/stdout_routines.f90\nq-e-qe-7.6/XSpectra/src/xanes_dipole.f90\nq-e-qe-7.6/XSpectra/src/xanes_dipole_general_edge.f90\nq-e-qe-7.6/XSpectra/src/xanes_quadrupole.f90\nq-e-qe-7.6/XSpectra/src/xspectra.f90\nq-e-qe-7.6/XSpectra/src/xspectra_mod.f90\nq-e-qe-7.6/XSpectra/src/xspectra_utils.f90\nq-e-qe-7.6/XSpectra/tools/\nq-e-qe-7.6/XSpectra/tools/upf2plotcore.sh\nq-e-qe-7.6/archive/\nq-e-qe-7.6/archive/.gitignore\nq-e-qe-7.6/archive/README.md\nq-e-qe-7.6/atomic/\nq-e-qe-7.6/atomic/CMakeLists.txt\nq-e-qe-7.6/atomic/Doc/\nq-e-qe-7.6/atomic/Doc/ChangeLog\nq-e-qe-7.6/atomic/Doc/INPUT_LD1.def\nq-e-qe-7.6/atomic/Doc/Makefile\nq-e-qe-7.6/atomic/Doc/pseudo-gen-fig1.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen-fig2.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen-fig3.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen-fig4.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen.tex\nq-e-qe-7.6/atomic/KLI.md\nq-e-qe-7.6/atomic/Makefile\nq-e-qe-7.6/atomic/README\nq-e-qe-7.6/atomic/examples/\nq-e-qe-7.6/atomic/examples/all-electron/\nq-e-qe-7.6/atomic/examples/all-electron/AAREADME\nq-e-qe-7.6/atomic/examples/all-electron/ar.in\nq-e-qe-7.6/atomic/examples/all-electron/c_oep.in\nq-e-qe-7.6/atomic/examples/all-electron/clean.sh\nq-e-qe-7.6/atomic/examples/all-electron/cu.in\nq-e-qe-7.6/atomic/examples/all-electron/cu1.in\nq-e-qe-7.6/atomic/examples/all-electron/f.in\nq-e-qe-7.6/atomic/examples/all-electron/fe.in\nq-e-qe-7.6/atomic/examples/all-electron/h.in\nq-e-qe-7.6/atomic/examples/all-electron/h.oep.in\nq-e-qe-7.6/atomic/examples/all-electron/he.in\nq-e-qe-7.6/atomic/examples/all-electron/he.oep.in\nq-e-qe-7.6/atomic/examples/all-electron/mg.in\nq-e-qe-7.6/atomic/examples/all-electron/ne.kli.in\nq-e-qe-7.6/atomic/examples/all-electron/ne_oep.in\nq-e-qe-7.6/atomic/examples/all-electron/pt.in\nq-e-qe-7.6/atomic/examples/all-electron/reference/\nq-e-qe-7.6/atomic/examples/all-electron/reference/ar.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/c_oep.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/cu.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/cu1.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/f.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/fe.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/h.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/he.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/mg.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/ne_oep.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/pt.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/u.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/u1.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/w.out\nq-e-qe-7.6/atomic/examples/all-electron/test.job\nq-e-qe-7.6/atomic/examples/all-electron/u.in\nq-e-qe-7.6/atomic/examples/all-electron/u1.in\nq-e-qe-7.6/atomic/examples/all-electron/w.in\nq-e-qe-7.6/atomic/examples/make_clean\nq-e-qe-7.6/atomic/examples/paw_examples/\nq-e-qe-7.6/atomic/examples/paw_examples/README\nq-e-qe-7.6/atomic/examples/paw_examples/clean\nq-e-qe-7.6/atomic/examples/paw_examples/input/\nq-e-qe-7.6/atomic/examples/paw_examples/input/Be.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/C.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Cl.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Cu.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/F.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Fe.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Ge.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/H.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Li-1s.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Li.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/N.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Na-2s2p.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/O-lda.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/O.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/P.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Pd.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/S.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Si.in\nq-e-qe-7.6/atomic/examples/paw_examples/oxygen/\nq-e-qe-7.6/atomic/examples/paw_examples/oxygen/gen.in\nq-e-qe-7.6/atomic/examples/paw_examples/oxygen/spin.in\nq-e-qe-7.6/atomic/examples/paw_examples/oxygen/test.in\nq-e-qe-7.6/atomic/examples/paw_examples/plot_dlog\nq-e-qe-7.6/atomic/examples/paw_examples/reference/\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Be-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Be.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/C-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/C.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Cl-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Cl.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Cu-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Cu.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/F-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/F.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Fe-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Fe.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Ge-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Ge.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/H-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/H.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Li-1s-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Li-1s.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Li-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Li.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/N-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/N.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Na-2s2p-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Na-2s2p.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/O-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/O-lda-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/O-lda.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/O.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/P-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/P.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Pd-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Pd.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/S-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/S.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Si-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Si.out\nq-e-qe-7.6/atomic/examples/paw_examples/test\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/AAREADME\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/Si.pz-vbc.UPF\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/clean.sh\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/reference/\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/reference/Si.LDA.0.5.UPF\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/reference/si.lda.0.5.out\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/si.lda.0.5.in\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/test.job\nq-e-qe-7.6/atomic/examples/pseudo-gen/\nq-e-qe-7.6/atomic/examples/pseudo-gen/AAREADME\nq-e-qe-7.6/atomic/examples/pseudo-gen/al.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/as.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/clean.sh\nq-e-qe-7.6/atomic/examples/pseudo-gen/o.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/pt.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/Al.rrkj3\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/Asrel.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/OPBE.RRKJ3\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/Ptrel.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/SiPBE_nc\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/al.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/as.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/o.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/pt.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/si_nc.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/si_nc.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/test.job\nq-e-qe-7.6/atomic/examples/pseudo-test/\nq-e-qe-7.6/atomic/examples/pseudo-test/AAREADME\nq-e-qe-7.6/atomic/examples/pseudo-test/Al.rrkj3\nq-e-qe-7.6/atomic/examples/pseudo-test/Asrel.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-test/Garel.ld1\nq-e-qe-7.6/atomic/examples/pseudo-test/NiUSPBE.RRKJ3\nq-e-qe-7.6/atomic/examples/pseudo-test/OPBE.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-test/RhUSPBEnlcc.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-test/S.gon\nq-e-qe-7.6/atomic/examples/pseudo-test/al.in\nq-e-qe-7.6/atomic/examples/pseudo-test/as.in\nq-e-qe-7.6/atomic/examples/pseudo-test/clean.sh\nq-e-qe-7.6/atomic/examples/pseudo-test/ga.in\nq-e-qe-7.6/atomic/examples/pseudo-test/ni.in\nq-e-qe-7.6/atomic/examples/pseudo-test/o.in\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/al.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/as.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/ga.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/ni.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/o.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/rh.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/s.out\nq-e-qe-7.6/atomic/examples/pseudo-test/rh.in\nq-e-qe-7.6/atomic/examples/pseudo-test/s.in\nq-e-qe-7.6/atomic/examples/pseudo-test/test.job\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/AAREADME\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ar.sla-gl.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ar.sla-noc.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ar.sla-pz.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/clean.sh\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/kr.sla-gl.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/kr.sla-noc.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/kr.sla-pz.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ne.sla-gl.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ne.sla-noc.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ne.sla-pz.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-gl.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-gl.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-noc.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-noc.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-pz.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-pz.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/compare.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-gl.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-gl.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-noc.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-noc.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-pz.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-pz.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-gl.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-gl.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-noc.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-noc.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-pz.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-pz.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/test.job\nq-e-qe-7.6/atomic/pseudo_library/\nq-e-qe-7.6/atomic/pseudo_library/AAAREADME\nq-e-qe-7.6/atomic/pseudo_library/LDA/\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Ag.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Al.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/As.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Au.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/B.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Br.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/C.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Cd.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Cl.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/F.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/H.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Hg.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Ir.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/N.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/O.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/O.rel-pz-rrkjus_h.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Os.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/P.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Pb.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Pd.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Rh.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Ru.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/S.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Sb.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Se.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Si.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/clean\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/make_ps\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Ag.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Al.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/As.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Au.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Au.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/B.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Br.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/C.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Cd.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Cd.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Cl.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/F.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/H.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Hg.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Ir.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/N.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/O.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/O.pz-rrkjus_h.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Os.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/P.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Pb.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Pd.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Rh.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Ru.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/S.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Sb.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Se.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Si.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/clean\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/make_ps\nq-e-qe-7.6/atomic/pseudo_library/PBE/\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Ag.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Al.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/As.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Au.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/B.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Br.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/C.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Cd.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Cl.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/F.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/H.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Hg.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Ir.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/N.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/O.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/O.rel-pbe-rrkjus_h.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Os.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/P.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Pb.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Pd.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Rh.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Ru.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/S.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Sb.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Se.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Si.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/clean\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/make_ps\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Ag.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Al.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/As.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Au.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Au.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/B.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Br.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/C.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Cd.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Cd.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Cl.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/F.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/H.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Hg.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Ir.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Mg.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/N.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/O.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/O.pbe-rrkjus_h.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Os.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/P.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Pb.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Pd.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Rh.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Ru.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/S.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Sb.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Se.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Si.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Sn.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/clean\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/make_ps\nq-e-qe-7.6/atomic/pseudo_library/make_clean\nq-e-qe-7.6/atomic/pseudo_library/make_ps\nq-e-qe-7.6/atomic/src/\nq-e-qe-7.6/atomic/src/Makefile\nq-e-qe-7.6/atomic/src/add_exchange.f90\nq-e-qe-7.6/atomic/src/all_electron.f90\nq-e-qe-7.6/atomic/src/ascheq.f90\nq-e-qe-7.6/atomic/src/ascheqps.f90\nq-e-qe-7.6/atomic/src/ascheqps_drv.f90\nq-e-qe-7.6/atomic/src/atomic_paw.f90\nq-e-qe-7.6/atomic/src/c6_dft.f90\nq-e-qe-7.6/atomic/src/c6_tfvw.f90\nq-e-qe-7.6/atomic/src/calculate_gipaw_orbitals.f90\nq-e-qe-7.6/atomic/src/cfdsol.f90\nq-e-qe-7.6/atomic/src/chargeps.f90\nq-e-qe-7.6/atomic/src/compute_chi.f90\nq-e-qe-7.6/atomic/src/compute_chi_tm.f90\nq-e-qe-7.6/atomic/src/compute_phi.f90\nq-e-qe-7.6/atomic/src/compute_phi_tm.f90\nq-e-qe-7.6/atomic/src/compute_phius.f90\nq-e-qe-7.6/atomic/src/compute_potps.f90\nq-e-qe-7.6/atomic/src/compute_potps_new.f90\nq-e-qe-7.6/atomic/src/compute_q_3bess.f90\nq-e-qe-7.6/atomic/src/compute_relpert.f90\nq-e-qe-7.6/atomic/src/compute_solution.f90\nq-e-qe-7.6/atomic/src/default_conf.f90\nq-e-qe-7.6/atomic/src/descreening.f90\nq-e-qe-7.6/atomic/src/dfx_new.f90\nq-e-qe-7.6/atomic/src/dir_outward.f90\nq-e-qe-7.6/atomic/src/dirsol.f90\nq-e-qe-7.6/atomic/src/dmixp.f90\nq-e-qe-7.6/atomic/src/drho0ofvx.f90\nq-e-qe-7.6/atomic/src/drhoofv.f90\nq-e-qe-7.6/atomic/src/dvex.f90\nq-e-qe-7.6/atomic/src/el_config.f90\nq-e-qe-7.6/atomic/src/elsd.f90\nq-e-qe-7.6/atomic/src/elsd_highv.f90\nq-e-qe-7.6/atomic/src/elsdps.f90\nq-e-qe-7.6/atomic/src/elsdps_paw.f90\nq-e-qe-7.6/atomic/src/esic.f90\nq-e-qe-7.6/atomic/src/export_upf.f90\nq-e-qe-7.6/atomic/src/find_qi.f90\nq-e-qe-7.6/atomic/src/gener_pseudo.f90\nq-e-qe-7.6/atomic/src/grad_log.f90\nq-e-qe-7.6/atomic/src/green.f90\nq-e-qe-7.6/atomic/src/import_upf.f90\nq-e-qe-7.6/atomic/src/int_0_inf_dr.f90\nq-e-qe-7.6/atomic/src/integrate_inward.f90\nq-e-qe-7.6/atomic/src/integrate_outward.f90\nq-e-qe-7.6/atomic/src/intref.f90\nq-e-qe-7.6/atomic/src/inward.f90\nq-e-qe-7.6/atomic/src/kin_e_density.f90\nq-e-qe-7.6/atomic/src/kli.f90\nq-e-qe-7.6/atomic/src/ld1.f90\nq-e-qe-7.6/atomic/src/ld1_readin.f90\nq-e-qe-7.6/atomic/src/ld1_setup.f90\nq-e-qe-7.6/atomic/src/ld1_writeout.f90\nq-e-qe-7.6/atomic/src/ld1inc.f90\nq-e-qe-7.6/atomic/src/lderiv.f90\nq-e-qe-7.6/atomic/src/lderivps.f90\nq-e-qe-7.6/atomic/src/lschps.f90\nq-e-qe-7.6/atomic/src/new_potential.f90\nq-e-qe-7.6/atomic/src/newd_at.f90\nq-e-qe-7.6/atomic/src/nodenum.f90\nq-e-qe-7.6/atomic/src/normalize.f90\nq-e-qe-7.6/atomic/src/occ_spin.f90\nq-e-qe-7.6/atomic/src/outward.f90\nq-e-qe-7.6/atomic/src/parameters.f90\nq-e-qe-7.6/atomic/src/partial_wave_expansion.f90\nq-e-qe-7.6/atomic/src/paw_type.f90\nq-e-qe-7.6/atomic/src/pseudo_q.f90\nq-e-qe-7.6/atomic/src/pseudovloc.f90\nq-e-qe-7.6/atomic/src/read_pseudo_ncpp.f90\nq-e-qe-7.6/atomic/src/read_pseudo_rrkj3.f90\nq-e-qe-7.6/atomic/src/run_lda_half.f90\nq-e-qe-7.6/atomic/src/run_pseudo.f90\nq-e-qe-7.6/atomic/src/run_test.f90\nq-e-qe-7.6/atomic/src/scf.f90\nq-e-qe-7.6/atomic/src/seriebes.f90\nq-e-qe-7.6/atomic/src/set_psi_in.f90\nq-e-qe-7.6/atomic/src/set_rc_rv.f90\nq-e-qe-7.6/atomic/src/set_rho_core.f90\nq-e-qe-7.6/atomic/src/set_sl3.f90\nq-e-qe-7.6/atomic/src/sic_correction.f90\nq-e-qe-7.6/atomic/src/start_potps.f90\nq-e-qe-7.6/atomic/src/start_scheq.f90\nq-e-qe-7.6/atomic/src/starting_potential.f90\nq-e-qe-7.6/atomic/src/test_bessel.f90\nq-e-qe-7.6/atomic/src/trou.f90\nq-e-qe-7.6/atomic/src/utils.f90\nq-e-qe-7.6/atomic/src/v_of_rho_at.f90\nq-e-qe-7.6/atomic/src/vdpack.f90\nq-e-qe-7.6/atomic/src/vext.f90\nq-e-qe-7.6/atomic/src/vpack.f90\nq-e-qe-7.6/atomic/src/vxcgc.f90\nq-e-qe-7.6/atomic/src/write_ae_pseudo.f90\nq-e-qe-7.6/atomic/src/write_cpmd.f90\nq-e-qe-7.6/atomic/src/write_files.f90\nq-e-qe-7.6/atomic/src/write_paw_recon.f90\nq-e-qe-7.6/atomic/src/write_pseudo.f90\nq-e-qe-7.6/atomic/src/write_results.f90\nq-e-qe-7.6/atomic/src/write_resultsps.f90\nq-e-qe-7.6/cmake/\nq-e-qe-7.6/cmake/AddRPATH.cmake\nq-e-qe-7.6/cmake/CMakeGraphVizOptions.cmake\nq-e-qe-7.6/cmake/CrayFortranCompiler.cmake\nq-e-qe-7.6/cmake/DetermineDeviceArchitectures.cmake\nq-e-qe-7.6/cmake/DetermineGPUFeatures.cmake\nq-e-qe-7.6/cmake/FindDeviceXlib.cmake\nq-e-qe-7.6/cmake/FindELPA.cmake\nq-e-qe-7.6/cmake/FindEnviron.cmake\nq-e-qe-7.6/cmake/FindFFTW3.cmake\nq-e-qe-7.6/cmake/FindFoX.cmake\nq-e-qe-7.6/cmake/FindLibxc.cmake\nq-e-qe-7.6/cmake/FindMBD.cmake\nq-e-qe-7.6/cmake/FindSCALAPACK.cmake\nq-e-qe-7.6/cmake/FindVendorFFTW.cmake\nq-e-qe-7.6/cmake/FindWannier90.cmake\nq-e-qe-7.6/cmake/FujitsuFortranCompiler.cmake\nq-e-qe-7.6/cmake/GNUFortranCompiler.cmake\nq-e-qe-7.6/cmake/GitInfo.cmake\nq-e-qe-7.6/cmake/IBMFortranCompiler.cmake\nq-e-qe-7.6/cmake/IntelFortranCompiler.cmake\nq-e-qe-7.6/cmake/LLVMFlangCompiler.cmake\nq-e-qe-7.6/cmake/NVFortranCompiler.cmake\nq-e-qe-7.6/cmake/UseLATEX.cmake\nq-e-qe-7.6/cmake/flags/\nq-e-qe-7.6/cmake/flags/debug.cmake\nq-e-qe-7.6/cmake/flags/native.cmake\nq-e-qe-7.6/cmake/flags/native.pgi.cmake\nq-e-qe-7.6/cmake/qeConfig.cmake.in\nq-e-qe-7.6/cmake/qeHelpers.cmake\nq-e-qe-7.6/cmake/quantum_espresso.pc.in\nq-e-qe-7.6/cmake/unit_test.cmake\nq-e-qe-7.6/configure\nq-e-qe-7.6/dev-tools/\nq-e-qe-7.6/dev-tools/Makefile\nq-e-qe-7.6/dev-tools/README.helpdoc\nq-e-qe-7.6/dev-tools/README.md\nq-e-qe-7.6/dev-tools/callhtml.pl\nq-e-qe-7.6/dev-tools/calltree.pl\nq-e-qe-7.6/dev-tools/check_gui\nq-e-qe-7.6/dev-tools/check_versions.sh\nq-e-qe-7.6/dev-tools/device_props.c\nq-e-qe-7.6/dev-tools/diff_gui_help\nq-e-qe-7.6/dev-tools/exported-cmds.pwtk\nq-e-qe-7.6/dev-tools/gen-emacs-mode\nq-e-qe-7.6/dev-tools/gen-emacs-mode.tcl\nq-e-qe-7.6/dev-tools/get_device_props.py\nq-e-qe-7.6/dev-tools/guihelp.xsl\nq-e-qe-7.6/dev-tools/helpdoc\nq-e-qe-7.6/dev-tools/helpdoc.d/\nq-e-qe-7.6/dev-tools/helpdoc.d/auxil.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/gui.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/guihelp.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/helpdoc.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/modules.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/parseTags.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/readSchema.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/robodoc.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/syntax_txt.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/tclIndex\nq-e-qe-7.6/dev-tools/helpdoc.d/tree.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/txt.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/txt_enter.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/txt_leave.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/validate.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/vocabularies.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/xml.tcl\nq-e-qe-7.6/dev-tools/helpdoc.schema\nq-e-qe-7.6/dev-tools/input_xx.xsl\nq-e-qe-7.6/dev-tools/mem_analyse.py\nq-e-qe-7.6/dev-tools/mem_counter\nq-e-qe-7.6/dev-tools/mem_counter.py\nq-e-qe-7.6/dev-tools/porting/\nq-e-qe-7.6/dev-tools/porting/becmod.json\nq-e-qe-7.6/dev-tools/porting/derived_type_duplicated_module.jf90\nq-e-qe-7.6/dev-tools/porting/duplicated_module.jf90\nq-e-qe-7.6/dev-tools/porting/gen_derived.py\nq-e-qe-7.6/dev-tools/porting/gen_intrinsic.py\nq-e-qe-7.6/dev-tools/porting/regenerate_duplicated_variables.sh\nq-e-qe-7.6/dev-tools/release-checklist.md\nq-e-qe-7.6/dev-tools/src-normal\nq-e-qe-7.6/dev-tools/src-normal.py\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/README.md\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_default_mixed.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_default_nofallback.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_dim_base.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_dim_on_nonreal.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_enum_default.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_index_range.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_missing_dim.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_missing_units.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_required_default.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_units_base.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_units_exponent.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_units_nofallback.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_vocab.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/good.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/good_bare_ref.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/run-tests.sh\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/vocabularies.tcl\nq-e-qe-7.6/dev-tools/update_gui_help\nq-e-qe-7.6/dev-tools/version-update-checklist.md\nq-e-qe-7.6/dft-d3/\nq-e-qe-7.6/dft-d3/CMakeLists.txt\nq-e-qe-7.6/dft-d3/Makefile\nq-e-qe-7.6/dft-d3/README\nq-e-qe-7.6/dft-d3/api.f90\nq-e-qe-7.6/dft-d3/common.f90\nq-e-qe-7.6/dft-d3/core.f90\nq-e-qe-7.6/dft-d3/dftd3_qe.f90\nq-e-qe-7.6/dft-d3/pars.f90\nq-e-qe-7.6/dft-d3/sizes.f90\nq-e-qe-7.6/dft-d3/test_code.f90\nq-e-qe-7.6/environment_variables\nq-e-qe-7.6/external/\nq-e-qe-7.6/external/.gitignore\nq-e-qe-7.6/external/CMakeLists.txt\nq-e-qe-7.6/external/d3q/\nq-e-qe-7.6/external/devxlib/\nq-e-qe-7.6/external/devxlib.cmake\nq-e-qe-7.6/external/environ.cmake\nq-e-qe-7.6/external/fox/\nq-e-qe-7.6/external/fox.cmake\nq-e-qe-7.6/external/initialize_external_repos.sh\nq-e-qe-7.6/external/lapack/\nq-e-qe-7.6/external/mbd/\nq-e-qe-7.6/external/mbd.cmake\nq-e-qe-7.6/external/mbd.make\nq-e-qe-7.6/external/pw2qmcpack/\nq-e-qe-7.6/external/qe-gipaw/\nq-e-qe-7.6/external/submodule_commit_hash_records\nq-e-qe-7.6/external/update_commit_has_records.sh\nq-e-qe-7.6/external/wannier90/\nq-e-qe-7.6/external/wannier90.cmake\nq-e-qe-7.6/include/\nq-e-qe-7.6/include/cpv_device_macros.h\nq-e-qe-7.6/include/defs.h.README\nq-e-qe-7.6/include/qe_version.h\nq-e-qe-7.6/install/\nq-e-qe-7.6/install/README.FX10\nq-e-qe-7.6/install/aclocal.m4\nq-e-qe-7.6/install/addsonpatch.sh\nq-e-qe-7.6/install/addsontool.sh\nq-e-qe-7.6/install/build_fox_with_pgi.sh\nq-e-qe-7.6/install/config.guess\nq-e-qe-7.6/install/config.sub\nq-e-qe-7.6/install/configure.ac\nq-e-qe-7.6/install/configure.msg.in\nq-e-qe-7.6/install/extlibs_makefile\nq-e-qe-7.6/install/includedep.sh\nq-e-qe-7.6/install/install-sh\nq-e-qe-7.6/install/install_utils\nq-e-qe-7.6/install/m4/\nq-e-qe-7.6/install/m4/README\nq-e-qe-7.6/install/m4/ax_check_compile_flag.m4\nq-e-qe-7.6/install/m4/x_ac_qe_aix_dflags.m4\nq-e-qe-7.6/install/m4/x_ac_qe_ar.m4\nq-e-qe-7.6/install/m4/x_ac_qe_arch.m4\nq-e-qe-7.6/install/m4/x_ac_qe_blas.m4\nq-e-qe-7.6/install/m4/x_ac_qe_cc.m4\nq-e-qe-7.6/install/m4/x_ac_qe_cpp.m4\nq-e-qe-7.6/install/m4/x_ac_qe_cuda.m4\nq-e-qe-7.6/install/m4/x_ac_qe_default_env.m4\nq-e-qe-7.6/install/m4/x_ac_qe_elpa.m4\nq-e-qe-7.6/install/m4/x_ac_qe_environ.m4\nq-e-qe-7.6/install/m4/x_ac_qe_f90.m4\nq-e-qe-7.6/install/m4/x_ac_qe_f90rule.m4\nq-e-qe-7.6/install/m4/x_ac_qe_fft.m4\nq-e-qe-7.6/install/m4/x_ac_qe_fox.m4\nq-e-qe-7.6/install/m4/x_ac_qe_git.m4\nq-e-qe-7.6/install/m4/x_ac_qe_gpu.m4\nq-e-qe-7.6/install/m4/x_ac_qe_hdf5.m4\nq-e-qe-7.6/install/m4/x_ac_qe_lapack.m4\nq-e-qe-7.6/install/m4/x_ac_qe_ld.m4\nq-e-qe-7.6/install/m4/x_ac_qe_libxc.m4\nq-e-qe-7.6/install/m4/x_ac_qe_make_tree.m4\nq-e-qe-7.6/install/m4/x_ac_qe_makedeps.m4\nq-e-qe-7.6/install/m4/x_ac_qe_mass.m4\nq-e-qe-7.6/install/m4/x_ac_qe_mpi.m4\nq-e-qe-7.6/install/m4/x_ac_qe_mpif90.m4\nq-e-qe-7.6/install/m4/x_ac_qe_openmp.m4\nq-e-qe-7.6/install/m4/x_ac_qe_openmp_offload.m4\nq-e-qe-7.6/install/m4/x_ac_qe_plugins.m4\nq-e-qe-7.6/install/m4/x_ac_qe_ranlib.m4\nq-e-qe-7.6/install/m4/x_ac_qe_scalapack.m4\nq-e-qe-7.6/install/m4/x_ac_qe_signal.m4\nq-e-qe-7.6/install/m4/x_ac_qe_wget.m4\nq-e-qe-7.6/install/make.inc.in\nq-e-qe-7.6/install/make_lapack.inc.in\nq-e-qe-7.6/install/make_wannier90.inc.in\nq-e-qe-7.6/install/makedeps.sh\nq-e-qe-7.6/install/moduledep.sh\nq-e-qe-7.6/install/namedep.sh\nq-e-qe-7.6/install/oldlibs_makefile\nq-e-qe-7.6/install/plugins_list\nq-e-qe-7.6/install/plugins_makefile\nq-e-qe-7.6/install/refresh-configure.sh\nq-e-qe-7.6/install/tldeps\nq-e-qe-7.6/logo.jpg\nq-e-qe-7.6/pseudo/\nq-e-qe-7.6/pseudo/Au.pz-rrkjus_aewfc.UPF\nq-e-qe-7.6/pseudo/Au_ONCV_PBE_FR_.upf\nq-e-qe-7.6/pseudo/B-PBE.upf\nq-e-qe-7.6/pseudo/C-q4.gth\nq-e-qe-7.6/pseudo/C.UPF\nq-e-qe-7.6/pseudo/C_3.98148.UPF\nq-e-qe-7.6/pseudo/Fe.pz-n-nc.UPF\nq-e-qe-7.6/pseudo/H-q1.gth\nq-e-qe-7.6/pseudo/HUSPBE.RRKJ3\nq-e-qe-7.6/pseudo/H_US.van\nq-e-qe-7.6/pseudo/Mo-PBE.upf\nq-e-qe-7.6/pseudo/N-PBE.upf\nq-e-qe-7.6/pseudo/O-q6.gth\nq-e-qe-7.6/pseudo/O_US.van\nq-e-qe-7.6/pseudo/Rh.pbe-rrkjus_lb.UPF\nq-e-qe-7.6/pseudo/Rhs.pbe-rrkjus_lb.UPF\nq-e-qe-7.6/pseudo/S-PBE.upf\nq-e-qe-7.6/pseudo/Si.bhs\nq-e-qe-7.6/pseudo/Si_r.upf\nq-e-qe-7.6/pseudo/clean_ps\nq-e-qe-7.6/pseudo/pb_s.UPF\nq-e-qe-7.6/test-suite/\nq-e-qe-7.6/test-suite/.gitignore\nq-e-qe-7.6/test-suite/CMakeLists.txt\nq-e-qe-7.6/test-suite/ENVIRONMENT\nq-e-qe-7.6/test-suite/Makefile\nq-e-qe-7.6/test-suite/QEHeat_h2o/\nq-e-qe-7.6/test-suite/QEHeat_h2o/all_currents.in\nq-e-qe-7.6/test-suite/QEHeat_h2o/all_currents_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_h2o/benchmark.out.git.inp=all_currents.in\nq-e-qe-7.6/test-suite/QEHeat_h2o/benchmark.out.git.inp=all_currents_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_h2o/traj/\nq-e-qe-7.6/test-suite/QEHeat_h2o/traj/cp.pos\nq-e-qe-7.6/test-suite/QEHeat_h2o/traj/cp.vel\nq-e-qe-7.6/test-suite/QEHeat_rotation/\nq-e-qe-7.6/test-suite/QEHeat_rotation/all_currents.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/all_currents_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/all_currents_not_rotated.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/all_currents_not_rotated_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_not_rotated.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_not_rotated_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/generate_all_currents.in.sh\nq-e-qe-7.6/test-suite/QEHeat_rotation/inpos\nq-e-qe-7.6/test-suite/QEHeat_rotation/invel\nq-e-qe-7.6/test-suite/QEHeat_rotation/rotate.py\nq-e-qe-7.6/test-suite/QEHeat_rotation/rotate_run.sh\nq-e-qe-7.6/test-suite/QEHeat_rotation/types\nq-e-qe-7.6/test-suite/QEHeat_translation/\nq-e-qe-7.6/test-suite/QEHeat_translation/README\nq-e-qe-7.6/test-suite/QEHeat_translation/benchmark.out.git.inp=input.in\nq-e-qe-7.6/test-suite/QEHeat_translation/benchmark.out.git.inp=input_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_translation/benchmark.out.git.inp=input_ar.in\nq-e-qe-7.6/test-suite/QEHeat_translation/benchmark.out.git.inp=input_ar_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_translation/input.in\nq-e-qe-7.6/test-suite/QEHeat_translation/input_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_translation/input_ar.in\nq-e-qe-7.6/test-suite/QEHeat_translation/input_ar_2pt.in\nq-e-qe-7.6/test-suite/README\nq-e-qe-7.6/test-suite/README_CMake\nq-e-qe-7.6/test-suite/benchmarks/\nq-e-qe-7.6/test-suite/benchmarks/CMakeLists.txt\nq-e-qe-7.6/test-suite/benchmarks/pw/\nq-e-qe-7.6/test-suite/benchmarks/pw/ausurf.in\nq-e-qe-7.6/test-suite/benchmarks/pw/psiwat.in\nq-e-qe-7.6/test-suite/buildbot/\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/README.txt\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/README.txt.libxc\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_Anvf227_para_GPU.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_aocc_flang_openmpi507.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi316-dbg.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404-nimage.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_hdf5.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_libxc.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_openmp.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_serial.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_intel20_openmpi412.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_nvf217_openmpi315.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_nvf217_serial_GPU.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_oneapi_impi.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/master.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/worker.py\nq-e-qe-7.6/test-suite/check_pseudo.sh\nq-e-qe-7.6/test-suite/cp_al_edft/\nq-e-qe-7.6/test-suite/cp_al_edft/Al.in\nq-e-qe-7.6/test-suite/cp_al_edft/Al.uspp.in\nq-e-qe-7.6/test-suite/cp_al_edft/benchmark.out.git.inp=Al.in\nq-e-qe-7.6/test-suite/cp_al_edft/benchmark.out.git.inp=Al.uspp.in\nq-e-qe-7.6/test-suite/cp_cluster/\nq-e-qe-7.6/test-suite/cp_cluster/benchmark.out.git.inp=cluster4.in\nq-e-qe-7.6/test-suite/cp_cluster/benchmark.out.git.inp=cluster6.in\nq-e-qe-7.6/test-suite/cp_cluster/cluster4.in\nq-e-qe-7.6/test-suite/cp_cluster/cluster6.in\nq-e-qe-7.6/test-suite/cp_h2o/\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-1.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-2.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-3.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-4.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-5.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-6.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-7.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-cg.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-1.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-2.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-3.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-4.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-5.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-6.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-7.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-cg.in\nq-e-qe-7.6/test-suite/cp_h2o_exx/\nq-e-qe-7.6/test-suite/cp_h2o_exx/benchmark.out.git.inp=h2o-mt-b3lyp-1.in\nq-e-qe-7.6/test-suite/cp_h2o_exx/benchmark.out.git.inp=h2o-mt-exx_fraction.in\nq-e-qe-7.6/test-suite/cp_h2o_exx/h2o-mt-b3lyp-1.in\nq-e-qe-7.6/test-suite/cp_h2o_exx/h2o-mt-exx_fraction.in\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/benchmark.out.git.inp=nspin1.in\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/benchmark.out.git.inp=nspin2.in\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/nspin1.in\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/nspin2.in\nq-e-qe-7.6/test-suite/cp_h2o_wf/\nq-e-qe-7.6/test-suite/cp_h2o_wf/README\nq-e-qe-7.6/test-suite/cp_h2o_wf/benchmark.out.git.inp=h2o-nspin1.in\nq-e-qe-7.6/test-suite/cp_h2o_wf/benchmark.out.git.inp=h2o-nspin2.in\nq-e-qe-7.6/test-suite/cp_h2o_wf/h2o-nspin1.in\nq-e-qe-7.6/test-suite/cp_h2o_wf/h2o-nspin2.in\nq-e-qe-7.6/test-suite/cp_o2/\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-1.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-2.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-3.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-4.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-5.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-6.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-1.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-2.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-3.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-4.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-5.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-6.in\nq-e-qe-7.6/test-suite/cp_si/\nq-e-qe-7.6/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-1.in\nq-e-qe-7.6/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-2.in\nq-e-qe-7.6/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-3.in\nq-e-qe-7.6/test-suite/cp_si/si-vbc-lda-1.in\nq-e-qe-7.6/test-suite/cp_si/si-vbc-lda-2.in\nq-e-qe-7.6/test-suite/cp_si/si-vbc-lda-3.in\nq-e-qe-7.6/test-suite/cp_sio2/\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-1.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-2.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-3.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-4.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-cg.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-1.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-2.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-cg.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-1.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-2.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-3.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-4.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-cg.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-pbe-1.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-pbe-2.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-pbe-cg.in\nq-e-qe-7.6/test-suite/ctest_runner.sh\nq-e-qe-7.6/test-suite/epw_2D/\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw3.in.args=10\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw5.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw6.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw8.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=scf.in.args=0\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=scf_epw.in.args=0\nq-e-qe-7.6/test-suite/epw_2D/epw1.in\nq-e-qe-7.6/test-suite/epw_2D/epw2.in\nq-e-qe-7.6/test-suite/epw_2D/epw3.in\nq-e-qe-7.6/test-suite/epw_2D/epw4.in\nq-e-qe-7.6/test-suite/epw_2D/epw5.in\nq-e-qe-7.6/test-suite/epw_2D/epw6.in\nq-e-qe-7.6/test-suite/epw_2D/epw7.in\nq-e-qe-7.6/test-suite/epw_2D/epw8.in\nq-e-qe-7.6/test-suite/epw_2D/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_2D/ph.in\nq-e-qe-7.6/test-suite/epw_2D/pp.in\nq-e-qe-7.6/test-suite/epw_2D/quadrupole.fmt\nq-e-qe-7.6/test-suite/epw_2D/scf.in\nq-e-qe-7.6/test-suite/epw_2D/scf_epw.in\nq-e-qe-7.6/test-suite/epw_base/\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw10.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw11.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw12.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw13.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw9.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_base/epw.in\nq-e-qe-7.6/test-suite/epw_base/epw1.in\nq-e-qe-7.6/test-suite/epw_base/epw10.in\nq-e-qe-7.6/test-suite/epw_base/epw11.in\nq-e-qe-7.6/test-suite/epw_base/epw12.in\nq-e-qe-7.6/test-suite/epw_base/epw13.in\nq-e-qe-7.6/test-suite/epw_base/epw2.in\nq-e-qe-7.6/test-suite/epw_base/epw3.in\nq-e-qe-7.6/test-suite/epw_base/epw4.in\nq-e-qe-7.6/test-suite/epw_base/epw5.in\nq-e-qe-7.6/test-suite/epw_base/epw6.in\nq-e-qe-7.6/test-suite/epw_base/epw9.in\nq-e-qe-7.6/test-suite/epw_base/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_base/path.dat\nq-e-qe-7.6/test-suite/epw_base/ph.in\nq-e-qe-7.6/test-suite/epw_base/pp.in\nq-e-qe-7.6/test-suite/epw_base/scf.in\nq-e-qe-7.6/test-suite/epw_base/scf_epw.in\nq-e-qe-7.6/test-suite/epw_hall/\nq-e-qe-7.6/test-suite/epw_hall/LGXKG4.txt\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw5.in.args=5\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=scf.in.args=0\nq-e-qe-7.6/test-suite/epw_hall/epw1.in\nq-e-qe-7.6/test-suite/epw_hall/epw2.in\nq-e-qe-7.6/test-suite/epw_hall/epw3.in\nq-e-qe-7.6/test-suite/epw_hall/epw4.in\nq-e-qe-7.6/test-suite/epw_hall/epw5.in\nq-e-qe-7.6/test-suite/epw_hall/nscf.in\nq-e-qe-7.6/test-suite/epw_hall/ph.in\nq-e-qe-7.6/test-suite/epw_hall/pp.in\nq-e-qe-7.6/test-suite/epw_hall/quadrupole.fmt\nq-e-qe-7.6/test-suite/epw_hall/scf.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw1_dn.in.args=3\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw1_up.in.args=3\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw2_dn.in.args=3\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw2_up.in.args=3\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw3_dn.in.args=5\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw3_up.in.args=5\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw1_dn.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw1_up.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw2_dn.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw2_up.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw3_dn.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw3_up.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/nscf.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/ph.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/pp.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/scf.in\nq-e-qe-7.6/test-suite/epw_metal/\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw1_dn.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw1_up.in.args=5\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw2_dn.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw2_up.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw3_dn.in.args=5\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw3_up.in.args=5\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw5.in.args=10\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw6.in.args=11\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=nscf_epw_lsda.in.args=1\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=scf_epw_lsda.in.args=1\nq-e-qe-7.6/test-suite/epw_metal/epw1.in\nq-e-qe-7.6/test-suite/epw_metal/epw1_dn.in\nq-e-qe-7.6/test-suite/epw_metal/epw1_up.in\nq-e-qe-7.6/test-suite/epw_metal/epw2.in\nq-e-qe-7.6/test-suite/epw_metal/epw2_dn.in\nq-e-qe-7.6/test-suite/epw_metal/epw2_up.in\nq-e-qe-7.6/test-suite/epw_metal/epw3.in\nq-e-qe-7.6/test-suite/epw_metal/epw3_dn.in\nq-e-qe-7.6/test-suite/epw_metal/epw3_up.in\nq-e-qe-7.6/test-suite/epw_metal/epw4.in\nq-e-qe-7.6/test-suite/epw_metal/epw5.in\nq-e-qe-7.6/test-suite/epw_metal/epw6.in\nq-e-qe-7.6/test-suite/epw_metal/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_metal/nscf_epw_lsda.in\nq-e-qe-7.6/test-suite/epw_metal/ph.in\nq-e-qe-7.6/test-suite/epw_metal/pp.in\nq-e-qe-7.6/test-suite/epw_metal/save/\nq-e-qe-7.6/test-suite/epw_metal/save/ifc.q2r\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dvscf_q1\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dvscf_q2\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dvscf_q3\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dvscf_q4\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dyn_q1\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dyn_q2\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dyn_q3\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dyn_q4\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/control_ph.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/patterns.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/patterns.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/patterns.3.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/patterns.4.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/status_run.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/ifc.q2r\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dvscf_q1\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dvscf_q2\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dvscf_q3\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dvscf_q4\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dyn_q1\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dyn_q2\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dyn_q3\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dyn_q4\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/control_ph.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/patterns.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/patterns.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/patterns.3.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/patterns.4.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/status_run.xml\nq-e-qe-7.6/test-suite/epw_metal/scf.in\nq-e-qe-7.6/test-suite/epw_metal/scf_epw.in\nq-e-qe-7.6/test-suite/epw_metal/scf_epw_lsda.in\nq-e-qe-7.6/test-suite/epw_metal/scf_lsda.in\nq-e-qe-7.6/test-suite/epw_mob/\nq-e-qe-7.6/test-suite/epw_mob/LGX.txt\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob/epw1.in\nq-e-qe-7.6/test-suite/epw_mob/epw2.in\nq-e-qe-7.6/test-suite/epw_mob/epw3.in\nq-e-qe-7.6/test-suite/epw_mob/epw4.in\nq-e-qe-7.6/test-suite/epw_mob/epw5.in\nq-e-qe-7.6/test-suite/epw_mob/epw6.in\nq-e-qe-7.6/test-suite/epw_mob/kpt.txt\nq-e-qe-7.6/test-suite/epw_mob/nscf.in\nq-e-qe-7.6/test-suite/epw_mob/ph.in\nq-e-qe-7.6/test-suite/epw_mob/pp.in\nq-e-qe-7.6/test-suite/epw_mob/pp.py\nq-e-qe-7.6/test-suite/epw_mob/q2r.in\nq-e-qe-7.6/test-suite/epw_mob/scf.in\nq-e-qe-7.6/test-suite/epw_mob/si.eig\nq-e-qe-7.6/test-suite/epw_mob_U/\nq-e-qe-7.6/test-suite/epw_mob_U/LGX.dat\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_U/epw1.in\nq-e-qe-7.6/test-suite/epw_mob_U/epw2.in\nq-e-qe-7.6/test-suite/epw_mob_U/epw3.in\nq-e-qe-7.6/test-suite/epw_mob_U/epw4.in\nq-e-qe-7.6/test-suite/epw_mob_U/nscf.in\nq-e-qe-7.6/test-suite/epw_mob_U/ph.in\nq-e-qe-7.6/test-suite/epw_mob_U/pp.in\nq-e-qe-7.6/test-suite/epw_mob_U/scf.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/\nq-e-qe-7.6/test-suite/epw_mob_ibte/LGX.txt\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_ibte/epw1.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/epw2.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/epw3.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/nscf.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/ph.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/pp.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/q2r.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/scf.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/LGX.txt\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw6.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw8.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw9.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw1.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw2.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw3.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw4.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw5.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw6.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw7.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw8.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw9.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/nscf.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/ph.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/pp.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/q2r.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/scf.in\nq-e-qe-7.6/test-suite/epw_mob_polar/\nq-e-qe-7.6/test-suite/epw_mob_polar/Ga-LDA.upf\nq-e-qe-7.6/test-suite/epw_mob_polar/MGA.txt\nq-e-qe-7.6/test-suite/epw_mob_polar/N-LDA.upf\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_polar/epw1.in\nq-e-qe-7.6/test-suite/epw_mob_polar/epw2.in\nq-e-qe-7.6/test-suite/epw_mob_polar/epw3.in\nq-e-qe-7.6/test-suite/epw_mob_polar/nscf.in\nq-e-qe-7.6/test-suite/epw_mob_polar/ph.in\nq-e-qe-7.6/test-suite/epw_mob_polar/pp.in\nq-e-qe-7.6/test-suite/epw_mob_polar/scf.in\nq-e-qe-7.6/test-suite/epw_pl/\nq-e-qe-7.6/test-suite/epw_pl/LGX.txt\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_pl/epw1.in\nq-e-qe-7.6/test-suite/epw_pl/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_pl/ph.in\nq-e-qe-7.6/test-suite/epw_pl/pp.in\nq-e-qe-7.6/test-suite/epw_pl/qgrid.txt\nq-e-qe-7.6/test-suite/epw_pl/scf.in\nq-e-qe-7.6/test-suite/epw_pl/scf_epw.in\nq-e-qe-7.6/test-suite/epw_plrn/\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_plrn/epw1.in\nq-e-qe-7.6/test-suite/epw_plrn/epw2.in\nq-e-qe-7.6/test-suite/epw_plrn/nscf.in\nq-e-qe-7.6/test-suite/epw_plrn/ph.in\nq-e-qe-7.6/test-suite/epw_plrn/pp.in\nq-e-qe-7.6/test-suite/epw_plrn/scf.in\nq-e-qe-7.6/test-suite/epw_polar/\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_polar/epw1.in\nq-e-qe-7.6/test-suite/epw_polar/epw3.in\nq-e-qe-7.6/test-suite/epw_polar/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_polar/ph.in\nq-e-qe-7.6/test-suite/epw_polar/pp.in\nq-e-qe-7.6/test-suite/epw_polar/scf.in\nq-e-qe-7.6/test-suite/epw_polar/scf_epw.in\nq-e-qe-7.6/test-suite/epw_qdpt/\nq-e-qe-7.6/test-suite/epw_qdpt/LGX.txt\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_qdpt/epw1.in\nq-e-qe-7.6/test-suite/epw_qdpt/epw2.in\nq-e-qe-7.6/test-suite/epw_qdpt/epw2_no_elpa.in\nq-e-qe-7.6/test-suite/epw_qdpt/nscf.in\nq-e-qe-7.6/test-suite/epw_qdpt/ph.in\nq-e-qe-7.6/test-suite/epw_qdpt/pp.in\nq-e-qe-7.6/test-suite/epw_qdpt/pp.py\nq-e-qe-7.6/test-suite/epw_qdpt/q2r.in\nq-e-qe-7.6/test-suite/epw_qdpt/scf.in\nq-e-qe-7.6/test-suite/epw_soc/\nq-e-qe-7.6/test-suite/epw_soc/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_soc/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_soc/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_soc/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_soc/epw1.in\nq-e-qe-7.6/test-suite/epw_soc/epw2.in\nq-e-qe-7.6/test-suite/epw_soc/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_soc/ph.in\nq-e-qe-7.6/test-suite/epw_soc/pp.in\nq-e-qe-7.6/test-suite/epw_soc/save/\nq-e-qe-7.6/test-suite/epw_soc/save/ifc.q2r.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dvscf_q1\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dvscf_q2\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dvscf_q3\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dvscf_q4\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dyn_q1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dyn_q2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dyn_q3.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dyn_q4.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/control_ph.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/patterns.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/patterns.2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/patterns.3.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/patterns.4.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/status_run.xml\nq-e-qe-7.6/test-suite/epw_soc/scf.in\nq-e-qe-7.6/test-suite/epw_soc/scf_epw.in\nq-e-qe-7.6/test-suite/epw_super/\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw8.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=nscf2supercond.in.args=9\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=nscf_outerbands.in.args=1\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_super/epw1.in\nq-e-qe-7.6/test-suite/epw_super/epw2.in\nq-e-qe-7.6/test-suite/epw_super/epw3.in\nq-e-qe-7.6/test-suite/epw_super/epw4.in\nq-e-qe-7.6/test-suite/epw_super/epw5.in\nq-e-qe-7.6/test-suite/epw_super/epw6.in\nq-e-qe-7.6/test-suite/epw_super/epw7.in\nq-e-qe-7.6/test-suite/epw_super/epw8.in\nq-e-qe-7.6/test-suite/epw_super/nscf2supercond.in\nq-e-qe-7.6/test-suite/epw_super/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_super/nscf_outerbands.in\nq-e-qe-7.6/test-suite/epw_super/ph.in\nq-e-qe-7.6/test-suite/epw_super/pp.in\nq-e-qe-7.6/test-suite/epw_super/scf.in\nq-e-qe-7.6/test-suite/epw_super/scf_epw.in\nq-e-qe-7.6/test-suite/epw_tdbe/\nq-e-qe-7.6/test-suite/epw_tdbe/LGX.txt\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_tdbe/epw1.in\nq-e-qe-7.6/test-suite/epw_tdbe/epw2.in\nq-e-qe-7.6/test-suite/epw_tdbe/epw3.in\nq-e-qe-7.6/test-suite/epw_tdbe/nscf.in\nq-e-qe-7.6/test-suite/epw_tdbe/ph.in\nq-e-qe-7.6/test-suite/epw_tdbe/pp.in\nq-e-qe-7.6/test-suite/epw_tdbe/scf.in\nq-e-qe-7.6/test-suite/epw_trev/\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_trev/epw1.in\nq-e-qe-7.6/test-suite/epw_trev/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_trev/ph.in\nq-e-qe-7.6/test-suite/epw_trev/pp.in\nq-e-qe-7.6/test-suite/epw_trev/scf.in\nq-e-qe-7.6/test-suite/epw_trev/scf_epw.in\nq-e-qe-7.6/test-suite/epw_trev_paw/\nq-e-qe-7.6/test-suite/epw_trev_paw/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_trev_paw/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev_paw/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_trev_paw/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev_paw/epw1.in\nq-e-qe-7.6/test-suite/epw_trev_paw/nscf.in\nq-e-qe-7.6/test-suite/epw_trev_paw/path.dat\nq-e-qe-7.6/test-suite/epw_trev_paw/pathq.dat\nq-e-qe-7.6/test-suite/epw_trev_paw/ph.in\nq-e-qe-7.6/test-suite/epw_trev_paw/pp.in\nq-e-qe-7.6/test-suite/epw_trev_paw/scf.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/\nq-e-qe-7.6/test-suite/epw_trev_uspp/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_trev_uspp/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev_uspp/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_trev_uspp/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev_uspp/epw1.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/nscf.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/path.dat\nq-e-qe-7.6/test-suite/epw_trev_uspp/pathq.dat\nq-e-qe-7.6/test-suite/epw_trev_uspp/ph.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/pp.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/scf.in\nq-e-qe-7.6/test-suite/epw_wfpt/\nq-e-qe-7.6/test-suite/epw_wfpt/.gitignore\nq-e-qe-7.6/test-suite/epw_wfpt/README.md\nq-e-qe-7.6/test-suite/epw_wfpt/ahc1.in\nq-e-qe-7.6/test-suite/epw_wfpt/ahc2.in\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=ahc1.in.args=7\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=ahc2.in.args=7\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw11.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw12.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw21.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw22.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw23.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=matdyn.in.args=6\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=nscf1.in.args=1\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=nscf2.in.args=1\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_wfpt/epw11.in\nq-e-qe-7.6/test-suite/epw_wfpt/epw12.in\nq-e-qe-7.6/test-suite/epw_wfpt/epw21.in\nq-e-qe-7.6/test-suite/epw_wfpt/epw22.in\nq-e-qe-7.6/test-suite/epw_wfpt/epw23.in\nq-e-qe-7.6/test-suite/epw_wfpt/kpath.GammaX.txt\nq-e-qe-7.6/test-suite/epw_wfpt/matdyn.in\nq-e-qe-7.6/test-suite/epw_wfpt/nscf1.in\nq-e-qe-7.6/test-suite/epw_wfpt/nscf2.in\nq-e-qe-7.6/test-suite/epw_wfpt/ph.in\nq-e-qe-7.6/test-suite/epw_wfpt/postahc1.in\nq-e-qe-7.6/test-suite/epw_wfpt/postahc2.in\nq-e-qe-7.6/test-suite/epw_wfpt/pp.in\nq-e-qe-7.6/test-suite/epw_wfpt/q2r.in\nq-e-qe-7.6/test-suite/epw_wfpt/scf.in\nq-e-qe-7.6/test-suite/extract-all_currents.sh\nq-e-qe-7.6/test-suite/extract-cp.sh\nq-e-qe-7.6/test-suite/extract-epw.sh\nq-e-qe-7.6/test-suite/extract-hp.sh\nq-e-qe-7.6/test-suite/extract-image.sh\nq-e-qe-7.6/test-suite/extract-kcw.sh\nq-e-qe-7.6/test-suite/extract-oscdft-pp.sh\nq-e-qe-7.6/test-suite/extract-ph.sh\nq-e-qe-7.6/test-suite/extract-pioud.sh\nq-e-qe-7.6/test-suite/extract-pp.sh\nq-e-qe-7.6/test-suite/extract-pw.sh\nq-e-qe-7.6/test-suite/extract-tddfpt.sh\nq-e-qe-7.6/test-suite/extract-zg.sh\nq-e-qe-7.6/test-suite/gpu-resource-example.json\nq-e-qe-7.6/test-suite/hp_insulator_paw/\nq-e-qe-7.6/test-suite/hp_insulator_paw/BN.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_paw/BN.scf.in\nq-e-qe-7.6/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/CrI3.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/CrI3.scf.1.in\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/CrI3.scf.2.in\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.scf.1.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.scf.2.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us/\nq-e-qe-7.6/test-suite/hp_insulator_us/LiCoO2.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_us/LiCoO2.scf.in\nq-e-qe-7.6/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/LiCoO2.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/LiCoO2.scf.in\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/NiO.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/NiO.scf.1.in\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/NiO.scf.2.in\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=2\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=2\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/Fe.hp.in\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/Fe.scf.in\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/benchmark.out.git.inp=Fe.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/benchmark.out.git.inp=Fe.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/LiNiO2.hp.in\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/LiNiO2.scf.in\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/benchmark.out.git.inp=LiNiO2.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/benchmark.out.git.inp=LiNiO2.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_metal_us_magn/\nq-e-qe-7.6/test-suite/hp_metal_us_magn/Ni.hp.in\nq-e-qe-7.6/test-suite/hp_metal_us_magn/Ni.scf.in\nq-e-qe-7.6/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/bn.hp.in\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/bn.scf.in\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/au.hp.in\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/au.scf.in\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/bn.hp.in\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/bn.scf.in\nq-e-qe-7.6/test-suite/image_para/\nq-e-qe-7.6/test-suite/image_para/benchmark.out.git.inp=si.ph.in.args=2\nq-e-qe-7.6/test-suite/image_para/benchmark.out.git.inp=si.scf.in.args=1\nq-e-qe-7.6/test-suite/image_para/si.ph.in\nq-e-qe-7.6/test-suite/image_para/si.scf.in\nq-e-qe-7.6/test-suite/jobconfig\nq-e-qe-7.6/test-suite/kcw_ks/\nq-e-qe-7.6/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-ham.in.args=7\nq-e-qe-7.6/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-screen.in.args=16\nq-e-qe-7.6/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-wann2kcw.in.args=15\nq-e-qe-7.6/test-suite/kcw_ks/benchmark.out.git.inp=h2o.scf.in.args=1\nq-e-qe-7.6/test-suite/kcw_ks/h2o.kcw-ham.in\nq-e-qe-7.6/test-suite/kcw_ks/h2o.kcw-screen.in\nq-e-qe-7.6/test-suite/kcw_ks/h2o.kcw-wann2kcw.in\nq-e-qe-7.6/test-suite/kcw_ks/h2o.scf.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.kcw-ham.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.kcw-screen.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.kcw-wann2kcw.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.pw2wann.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.scf.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.win\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-ham.in.args=7\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-screen.in.args=6\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-wann2kcw.in.args=5\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.pw2wann.in.args=3\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.scf.in.args=1\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.win.args=2\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.win.args=4\nq-e-qe-7.6/test-suite/kcw_wann/\nq-e-qe-7.6/test-suite/kcw_wann/Si.kcw-ham.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.kcw-screen.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.kcw-wann2kcw.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.pw2wann.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.scf.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.win\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-ham.in.args=7\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-screen.in.args=6\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-wann2kcw.in.args=5\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.pw2wann.in.args=3\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.scf.in.args=1\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.win.args=2\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.win.args=4\nq-e-qe-7.6/test-suite/kcw_wann_sym/\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.kcw-ham.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.kcw-screen.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.kcw-wann2kcw.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.pw2wann.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.scf.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.win\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-ham.in.args=7\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-screen.in.args=6\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-wann2kcw.in.args=5\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.pw2wann.in.args=3\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.scf.in.args=1\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.win.args=2\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.win.args=4\nq-e-qe-7.6/test-suite/noexe/\nq-e-qe-7.6/test-suite/noexe/benchmark.out.git.inp=langevin.in\nq-e-qe-7.6/test-suite/noexe/benchmark.out.git.inp=langevin_smc.in\nq-e-qe-7.6/test-suite/noexe/benchmark.out.git.inp=md_verlet_wall.in\nq-e-qe-7.6/test-suite/noexe/langevin.in\nq-e-qe-7.6/test-suite/noexe/langevin_smc.in\nq-e-qe-7.6/test-suite/noexe/md_verlet_wall.in\nq-e-qe-7.6/test-suite/not_epw_comp/\nq-e-qe-7.6/test-suite/not_epw_comp/epw1.in\nq-e-qe-7.6/test-suite/not_epw_comp/grid.py\nq-e-qe-7.6/test-suite/not_epw_comp/nscf_epw.in\nq-e-qe-7.6/test-suite/not_epw_comp/ph.in\nq-e-qe-7.6/test-suite/not_epw_comp/ph_epw.in\nq-e-qe-7.6/test-suite/not_epw_comp/scf.in\nq-e-qe-7.6/test-suite/not_epw_comp/scf_epw.in\nq-e-qe-7.6/test-suite/not_epw_scdm/\nq-e-qe-7.6/test-suite/not_epw_scdm/LGX.txt\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/not_epw_scdm/epw1.in\nq-e-qe-7.6/test-suite/not_epw_scdm/epw2.in\nq-e-qe-7.6/test-suite/not_epw_scdm/epw3.in\nq-e-qe-7.6/test-suite/not_epw_scdm/nscf.in\nq-e-qe-7.6/test-suite/not_epw_scdm/ph.in\nq-e-qe-7.6/test-suite/not_epw_scdm/pp.in\nq-e-qe-7.6/test-suite/not_epw_scdm/scf.in\nq-e-qe-7.6/test-suite/oscdft_pp/\nq-e-qe-7.6/test-suite/oscdft_pp/benchmark.out.git.inp=normalize.in.args=3_normalize.oscdft.in_pw.in\nq-e-qe-7.6/test-suite/oscdft_pp/benchmark.out.git.inp=view.in.args=3_view.oscdft.in_pw.in\nq-e-qe-7.6/test-suite/oscdft_pp/normalize.in\nq-e-qe-7.6/test-suite/oscdft_pp/normalize.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pp/pw.in\nq-e-qe-7.6/test-suite/oscdft_pp/view.in\nq-e-qe-7.6/test-suite/oscdft_pp/view.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=k.in.args=2_k.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=nooscdft.in.args=1\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=normcons.in.args=2_normcons.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=relax.in.args=2_scf.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=scf.in.args=2_scf.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=view.in.args=2_view.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/k.in\nq-e-qe-7.6/test-suite/oscdft_pw/k.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/nooscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/normcons.in\nq-e-qe-7.6/test-suite/oscdft_pw/normcons.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/relax.in\nq-e-qe-7.6/test-suite/oscdft_pw/scf.in\nq-e-qe-7.6/test-suite/oscdft_pw/scf.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/view.in\nq-e-qe-7.6/test-suite/oscdft_pw/view.oscdft.in\nq-e-qe-7.6/test-suite/ph_1d/\nq-e-qe-7.6/test-suite/ph_1d/benchmark.out.git.inp=ch4.dynmat.in.args=9\nq-e-qe-7.6/test-suite/ph_1d/benchmark.out.git.inp=ch4.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_1d/benchmark.out.git.inp=ch4.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_1d/ch4.dynmat.in\nq-e-qe-7.6/test-suite/ph_1d/ch4.ph.in\nq-e-qe-7.6/test-suite/ph_1d/ch4.scf.in\nq-e-qe-7.6/test-suite/ph_2d/\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=matdyn1.in.args=8\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=matdyn2.in.args=8\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=q2r1.in.args=3\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=q2r2.in.args=3\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/ph_2d/matdyn1.in\nq-e-qe-7.6/test-suite/ph_2d/matdyn2.in\nq-e-qe-7.6/test-suite/ph_2d/ph.in\nq-e-qe-7.6/test-suite/ph_2d/q2r1.in\nq-e-qe-7.6/test-suite/ph_2d/q2r2.in\nq-e-qe-7.6/test-suite/ph_2d/scf.in\nq-e-qe-7.6/test-suite/ph_2d_metal/\nq-e-qe-7.6/test-suite/ph_2d_metal/benchmark.out.git.inp=phG.in.args=2\nq-e-qe-7.6/test-suite/ph_2d_metal/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/ph_2d_metal/phG.in\nq-e-qe-7.6/test-suite/ph_2d_metal/scf.in\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/Ni.ph.in\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/Ni.scf.in\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/benchmark.out.git.inp=Ni.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/BN.phG.in\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/BN.phq.in\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/BN.scf.in\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.phq.in.args=2\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_U_insulator_us/\nq-e-qe-7.6/test-suite/ph_U_insulator_us/BN.phG.in\nq-e-qe-7.6/test-suite/ph_U_insulator_us/BN.phq.in\nq-e-qe-7.6/test-suite/ph_U_insulator_us/BN.scf.in\nq-e-qe-7.6/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.phq.in.args=2\nq-e-qe-7.6/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_U_metal_paw/\nq-e-qe-7.6/test-suite/ph_U_metal_paw/Ni.phq.in\nq-e-qe-7.6/test-suite/ph_U_metal_paw/Ni.scf.in\nq-e-qe-7.6/test-suite/ph_U_metal_paw/benchmark.out.git.inp=Ni.phq.in.args=2\nq-e-qe-7.6/test-suite/ph_U_metal_paw/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_U_metal_us/\nq-e-qe-7.6/test-suite/ph_U_metal_us/Fe.ph.in\nq-e-qe-7.6/test-suite/ph_U_metal_us/Fe.scf.in\nq-e-qe-7.6/test-suite/ph_U_metal_us/benchmark.out.git.inp=Fe.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_U_metal_us/benchmark.out.git.inp=Fe.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_bas/\nq-e-qe-7.6/test-suite/ph_ahc_bas/.gitignore\nq-e-qe-7.6/test-suite/ph_ahc_bas/ahc1.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/ahc2.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc.in.args=2\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc1.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc2.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=dvscfq2r.in.args=6\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=matdyn1.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=matdyn2.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=postahc1.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=postahc2.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=q2r.in.args=3\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_bas/dvscfq2r.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/matdyn1.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/matdyn2.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/nscf.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/ph.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/postahc1.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/postahc2.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/q2r.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/scf.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/\nq-e-qe-7.6/test-suite/ph_ahc_diam/.gitignore\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc1.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc2.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc3.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.dvscfq2r.doneutral.in.args=6\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.dvscfq2r.in.args=6\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn1.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn2.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn3.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.nscf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.nscf.nosym.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc1.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc2.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc3.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.q2r.in.args=3\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.ahc1.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.ahc2.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.ahc3.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.dvscfq2r.doneutral.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.dvscfq2r.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.matdyn1.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.matdyn2.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.matdyn3.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.nscf.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.nscf.nosym.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.ph.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.postahc1.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.postahc2.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.postahc3.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.q2r.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.scf.in\nq-e-qe-7.6/test-suite/ph_base/\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=c.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=c.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=ni.phX.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=ni.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=nipaw.phX.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=nipaw.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=si.ph.in.args=8\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=si.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=si.phX.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=si.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_base/c.phG.in\nq-e-qe-7.6/test-suite/ph_base/c.scf.in\nq-e-qe-7.6/test-suite/ph_base/ni.phX.in\nq-e-qe-7.6/test-suite/ph_base/ni.scf.in\nq-e-qe-7.6/test-suite/ph_base/nipaw.phX.in\nq-e-qe-7.6/test-suite/ph_base/nipaw.scf.in\nq-e-qe-7.6/test-suite/ph_base/si.phG.in\nq-e-qe-7.6/test-suite/ph_base/si.phX.in\nq-e-qe-7.6/test-suite/ph_base/si.scf.in\nq-e-qe-7.6/test-suite/ph_diag_direct/\nq-e-qe-7.6/test-suite/ph_diag_direct/benchmark.out.git.inp=ph-davidson.in.args=2\nq-e-qe-7.6/test-suite/ph_diag_direct/benchmark.out.git.inp=ph-direct.in.args=2\nq-e-qe-7.6/test-suite/ph_diag_direct/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/ph_diag_direct/ph-davidson.in\nq-e-qe-7.6/test-suite/ph_diag_direct/ph-direct.in\nq-e-qe-7.6/test-suite/ph_diag_direct/scf.in\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/O2.phG.in\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/O2.scf.1.in\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/O2.scf.2.in\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.scf.1.in.args=1\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.scf.2.in.args=1\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/NiO.phG.in\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/NiO.scf.1.in\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/NiO.scf.2.in\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=1\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=1\nq-e-qe-7.6/test-suite/ph_interpol_metal/\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.dvscfq2r.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.elph.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.elph.interpol.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.ph.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.scf.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.dvscfq2r.in.args=6\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.elph.in.args=2\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.elph.interpol.in.args=10\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_metal/\nq-e-qe-7.6/test-suite/ph_metal/al.elph.in\nq-e-qe-7.6/test-suite/ph_metal/al.elph.notrans.in\nq-e-qe-7.6/test-suite/ph_metal/al.scf.fit.in\nq-e-qe-7.6/test-suite/ph_metal/al.scf.in\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=al.elph.in.args=2\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=al.elph.notrans.in.args=10\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=al.scf.fit.in.args=1\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=al.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=lambda.in.args=5\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=matdyn.in.dos.args=4\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=matdyn.in.freq.args=4\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=q2r.in.args=3\nq-e-qe-7.6/test-suite/ph_metal/lambda.in\nq-e-qe-7.6/test-suite/ph_metal/matdyn.in.dos\nq-e-qe-7.6/test-suite/ph_metal/matdyn.in.freq\nq-e-qe-7.6/test-suite/ph_metal/q2r.in\nq-e-qe-7.6/test-suite/ph_multipole/\nq-e-qe-7.6/test-suite/ph_multipole/README.txt\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.01.args=2\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.02.args=2\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.03.args=2\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.04.args=13\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=scf.in.args=12\nq-e-qe-7.6/test-suite/ph_multipole/multipole.py\nq-e-qe-7.6/test-suite/ph_multipole/ph.in\nq-e-qe-7.6/test-suite/ph_multipole/scf.in\nq-e-qe-7.6/test-suite/ph_raman/\nq-e-qe-7.6/test-suite/ph_raman/benchmark.out.git.inp=h2o.dynmat.in.args=9\nq-e-qe-7.6/test-suite/ph_raman/benchmark.out.git.inp=h2o.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_raman/benchmark.out.git.inp=h2o.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_raman/h2o.dynmat.in\nq-e-qe-7.6/test-suite/ph_raman/h2o.ph.in\nq-e-qe-7.6/test-suite/ph_raman/h2o.scf.in\nq-e-qe-7.6/test-suite/ph_restart/\nq-e-qe-7.6/test-suite/ph_restart/SiC.phG.restart1.in\nq-e-qe-7.6/test-suite/ph_restart/SiC.phG.restart2.in\nq-e-qe-7.6/test-suite/ph_restart/SiC.phG.restart3.in\nq-e-qe-7.6/test-suite/ph_restart/SiC.phG.restart4.in\nq-e-qe-7.6/test-suite/ph_restart/SiC.scf.in\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart1.in.args=2\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart2.in.args=10\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart3.in.args=10\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart4.in.args=10\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_twochem/\nq-e-qe-7.6/test-suite/ph_twochem/benchmark.out.git.inp=phG2.in.args=11\nq-e-qe-7.6/test-suite/ph_twochem/benchmark.out.git.inp=phG_twochem.in.args=11\nq-e-qe-7.6/test-suite/ph_twochem/benchmark.out.git.inp=scf2.in.args=1\nq-e-qe-7.6/test-suite/ph_twochem/benchmark.out.git.inp=scf_twochem.in.args=1\nq-e-qe-7.6/test-suite/ph_twochem/phG2.in\nq-e-qe-7.6/test-suite/ph_twochem/phG_twochem.in\nq-e-qe-7.6/test-suite/ph_twochem/scf2.in\nq-e-qe-7.6/test-suite/ph_twochem/scf_twochem.in\nq-e-qe-7.6/test-suite/pioud_diamond/\nq-e-qe-7.6/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_ceriotti.in\nq-e-qe-7.6/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_pimd.in\nq-e-qe-7.6/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_verlet.in\nq-e-qe-7.6/test-suite/pioud_diamond/diamond_ceriotti.in\nq-e-qe-7.6/test-suite/pioud_diamond/diamond_pimd.in\nq-e-qe-7.6/test-suite/pioud_diamond/diamond_verlet.in\nq-e-qe-7.6/test-suite/pp_acf/\nq-e-qe-7.6/test-suite/pp_acf/benchmark.out.git.inp=ppacf_fock.in.args=2\nq-e-qe-7.6/test-suite/pp_acf/benchmark.out.git.inp=scf_vdw.in.args=1\nq-e-qe-7.6/test-suite/pp_acf/ppacf_fock.in\nq-e-qe-7.6/test-suite/pp_acf/scf_vdw.in\nq-e-qe-7.6/test-suite/pw_atom/\nq-e-qe-7.6/test-suite/pw_atom/atom-lsda.in\nq-e-qe-7.6/test-suite/pw_atom/atom-occ1.in\nq-e-qe-7.6/test-suite/pw_atom/atom-occ2.in\nq-e-qe-7.6/test-suite/pw_atom/atom-pbe.in\nq-e-qe-7.6/test-suite/pw_atom/atom-sigmapbe.in\nq-e-qe-7.6/test-suite/pw_atom/atom.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-lsda.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-occ1.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-occ2.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-pbe.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-sigmapbe.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom.in\nq-e-qe-7.6/test-suite/pw_b3lyp/\nq-e-qe-7.6/test-suite/pw_b3lyp/b3lyp-O.in\nq-e-qe-7.6/test-suite/pw_b3lyp/b3lyp-O_std.in\nq-e-qe-7.6/test-suite/pw_b3lyp/b3lyp-h2o.in\nq-e-qe-7.6/test-suite/pw_b3lyp/b3lyp-h2o_std.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-O.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-O_std.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-h2o.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-h2o_std.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=x3lyp-O.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=x3lyp-h2o.in\nq-e-qe-7.6/test-suite/pw_b3lyp/x3lyp-O.in\nq-e-qe-7.6/test-suite/pw_b3lyp/x3lyp-h2o.in\nq-e-qe-7.6/test-suite/pw_berry/\nq-e-qe-7.6/test-suite/pw_berry/benchmark.out.git.inp=berry-1.in\nq-e-qe-7.6/test-suite/pw_berry/benchmark.out.git.inp=berry-2.in\nq-e-qe-7.6/test-suite/pw_berry/benchmark.out.git.inp=berry.in\nq-e-qe-7.6/test-suite/pw_berry/berry-1.in\nq-e-qe-7.6/test-suite/pw_berry/berry-2.in\nq-e-qe-7.6/test-suite/pw_berry/berry.in\nq-e-qe-7.6/test-suite/pw_cluster/\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster1.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster2.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster3.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster4.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster5.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster6.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster1.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster2.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster3.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster4.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster5.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster6.in\nq-e-qe-7.6/test-suite/pw_dft/\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft1.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft10.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft11.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft2.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft3.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft4.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft5.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft6.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft7.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft8.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft9.in\nq-e-qe-7.6/test-suite/pw_dft/dft1.in\nq-e-qe-7.6/test-suite/pw_dft/dft10.in\nq-e-qe-7.6/test-suite/pw_dft/dft11.in\nq-e-qe-7.6/test-suite/pw_dft/dft2.in\nq-e-qe-7.6/test-suite/pw_dft/dft3.in\nq-e-qe-7.6/test-suite/pw_dft/dft4.in\nq-e-qe-7.6/test-suite/pw_dft/dft5.in\nq-e-qe-7.6/test-suite/pw_dft/dft6.in\nq-e-qe-7.6/test-suite/pw_dft/dft7.in\nq-e-qe-7.6/test-suite/pw_dft/dft8.in\nq-e-qe-7.6/test-suite/pw_dft/dft9.in\nq-e-qe-7.6/test-suite/pw_diag_direct/\nq-e-qe-7.6/test-suite/pw_diag_direct/benchmark.out.git.inp=scf-davidson.in\nq-e-qe-7.6/test-suite/pw_diag_direct/benchmark.out.git.inp=scf-direct.in\nq-e-qe-7.6/test-suite/pw_diag_direct/scf-davidson.in\nq-e-qe-7.6/test-suite/pw_diag_direct/scf-direct.in\nq-e-qe-7.6/test-suite/pw_dipole/\nq-e-qe-7.6/test-suite/pw_dipole/2dcutoff.in\nq-e-qe-7.6/test-suite/pw_dipole/benchmark.out.git.inp=2dcutoff.in\nq-e-qe-7.6/test-suite/pw_dipole/benchmark.out.git.inp=dipole.in\nq-e-qe-7.6/test-suite/pw_dipole/dipole.in\nq-e-qe-7.6/test-suite/pw_electric/\nq-e-qe-7.6/test-suite/pw_electric/benchmark.out.git.inp=electric-1.in\nq-e-qe-7.6/test-suite/pw_electric/benchmark.out.git.inp=electric-2.in\nq-e-qe-7.6/test-suite/pw_electric/benchmark.out.git.inp=electric.in\nq-e-qe-7.6/test-suite/pw_electric/electric-1.in\nq-e-qe-7.6/test-suite/pw_electric/electric-2.in\nq-e-qe-7.6/test-suite/pw_electric/electric.in\nq-e-qe-7.6/test-suite/pw_eval/\nq-e-qe-7.6/test-suite/pw_eval/benchmark.out.git.inp=eval_infix-2.in\nq-e-qe-7.6/test-suite/pw_eval/benchmark.out.git.inp=eval_infix.in\nq-e-qe-7.6/test-suite/pw_eval/eval_infix-2.in\nq-e-qe-7.6/test-suite/pw_eval/eval_infix.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/\nq-e-qe-7.6/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si111.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si222.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si444.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/gau-pbe-si111.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/gau-pbe-si222.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/gau-pbe-si444.in\nq-e-qe-7.6/test-suite/pw_hse/\nq-e-qe-7.6/test-suite/pw_hse/benchmark.out.git.inp=hse-si111.in\nq-e-qe-7.6/test-suite/pw_hse/benchmark.out.git.inp=hse-si222.in\nq-e-qe-7.6/test-suite/pw_hse/benchmark.out.git.inp=hse-si444.in\nq-e-qe-7.6/test-suite/pw_hse/benchmark.out.git.inp=hse-si444_std.in\nq-e-qe-7.6/test-suite/pw_hse/hse-si111.in\nq-e-qe-7.6/test-suite/pw_hse/hse-si222.in\nq-e-qe-7.6/test-suite/pw_hse/hse-si444.in\nq-e-qe-7.6/test-suite/pw_hse/hse-si444_std.in\nq-e-qe-7.6/test-suite/pw_irrbz/\nq-e-qe-7.6/test-suite/pw_irrbz/benchmark.out.git.inp=scf.in\nq-e-qe-7.6/test-suite/pw_irrbz/scf.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-12-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-12.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-3-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-3.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-5-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-5.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters+a.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters+celldm.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters-ang.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav1-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav1.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav10-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav10.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav11-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav11.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav12-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav12.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav13-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav13.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav14-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav14.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav2-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav2.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav3-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav3.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav4-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav4.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav5-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav5.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav6-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav6.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav7-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav7.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav8-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav8.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav9-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav9.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-wyckoff-sio2.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-12-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-12.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-3-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-3.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-5-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-5.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters+a.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters+celldm.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters-ang.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav1-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav1.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav10-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav10.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav11-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav11.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav12-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav12.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav13-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav13.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav14-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav14.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav2-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav2.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav3-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav3.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav4-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav4.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav5-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav5.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav6-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav6.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav7-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav7.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav8-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav8.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav9-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav9.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-wyckoff-sio2.in\nq-e-qe-7.6/test-suite/pw_lda+U/\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+J0.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V-user_ns.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_background.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_force_stress_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_noncol_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U-noU.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U-user_ns.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_background_one_channel.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_background_two_channels.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_force.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_force_stress_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_gamma.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_kind1_collin.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_kind1_noncollin.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_noncol_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_orbital_resolved.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_pseudo.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+J0.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+V-user_ns.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+V_background.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+V_force_stress_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+V_noncol_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U-noU.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U-noU.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U-user_ns.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U-user_ns.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_background_one_channel.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_background_two_channels.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_force.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_force.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_force_stress_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_gamma.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_gamma.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_kind1_collin.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_kind1_noncollin.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_noncol_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_orbital_resolved.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_orbital_resolved.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_pseudo.in\nq-e-qe-7.6/test-suite/pw_libxc/\nq-e-qe-7.6/test-suite/pw_libxc/benchmark.out.git.inp=gga_unpol_atom-pbe.in\nq-e-qe-7.6/test-suite/pw_libxc/benchmark.out.git.inp=hyb_gga_unpol_hse-si111.in\nq-e-qe-7.6/test-suite/pw_libxc/benchmark.out.git.inp=lda_pol_atom-lsda.in\nq-e-qe-7.6/test-suite/pw_libxc/benchmark.out.git.inp=mgga_unpol_metaGGA.in\nq-e-qe-7.6/test-suite/pw_libxc/gga_unpol_atom-pbe.in\nq-e-qe-7.6/test-suite/pw_libxc/hyb_gga_unpol_hse-si111.in\nq-e-qe-7.6/test-suite/pw_libxc/lda_pol_atom-lsda.in\nq-e-qe-7.6/test-suite/pw_libxc/mgga_unpol_metaGGA.in\nq-e-qe-7.6/test-suite/pw_lsda/\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-2.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-cg.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-nelup+neldw.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-tot_magnetization.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-2.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-cg.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-nelup+neldw.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-tot_magnetization.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda.in\nq-e-qe-7.6/test-suite/pw_md/\nq-e-qe-7.6/test-suite/pw_md/CMakeLists.txt\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap1.in\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap1.in.args=1\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap2.in\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap2.in.args=2\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-wfc_extrap1.in.args=1\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-wfc_extrap2.in.args=2\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md.in.args=1\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md_restart_verlet.in.args=22\nq-e-qe-7.6/test-suite/pw_md/md-pot_extrap1.in\nq-e-qe-7.6/test-suite/pw_md/md-pot_extrap2.in\nq-e-qe-7.6/test-suite/pw_md/md-wfc_extrap1.in\nq-e-qe-7.6/test-suite/pw_md/md-wfc_extrap2.in\nq-e-qe-7.6/test-suite/pw_md/md.in\nq-e-qe-7.6/test-suite/pw_md/md_restart_verlet.in\nq-e-qe-7.6/test-suite/pw_md/md_restart_verlet_original.md\nq-e-qe-7.6/test-suite/pw_metaGGA/\nq-e-qe-7.6/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-1.in\nq-e-qe-7.6/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-2.in\nq-e-qe-7.6/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-spin.in\nq-e-qe-7.6/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA.in\nq-e-qe-7.6/test-suite/pw_metaGGA/metaGGA-1.in\nq-e-qe-7.6/test-suite/pw_metaGGA/metaGGA-2.in\nq-e-qe-7.6/test-suite/pw_metaGGA/metaGGA-spin.in\nq-e-qe-7.6/test-suite/pw_metaGGA/metaGGA.in\nq-e-qe-7.6/test-suite/pw_metal/\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-2.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-fermi_dirac.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-gaussian.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra-1.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra-2.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal.in\nq-e-qe-7.6/test-suite/pw_metal/metal-2.in\nq-e-qe-7.6/test-suite/pw_metal/metal-fermi_dirac.in\nq-e-qe-7.6/test-suite/pw_metal/metal-gaussian.in\nq-e-qe-7.6/test-suite/pw_metal/metal-tetrahedra-1.in\nq-e-qe-7.6/test-suite/pw_metal/metal-tetrahedra-2.in\nq-e-qe-7.6/test-suite/pw_metal/metal-tetrahedra.in\nq-e-qe-7.6/test-suite/pw_metal/metal.in\nq-e-qe-7.6/test-suite/pw_noncolin/\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-1.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-2.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-cg.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_angle.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_atomic.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_total.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-hyb.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-hyb_std.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-pbe.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-rmm.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-1.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-2.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-cg.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-constrain_angle.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-constrain_atomic.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-constrain_total.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-hyb.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-hyb_std.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-pbe.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-rmm.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin.in\nq-e-qe-7.6/test-suite/pw_pawatom/\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_l=2.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_lda.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_spin.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_spin_lda.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_tqr.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-bfgs.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-vcbfgs.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_l=2.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_lda.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_spin.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_spin_lda.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_tqr.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-bfgs.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-vcbfgs.in\nq-e-qe-7.6/test-suite/pw_pbe/\nq-e-qe-7.6/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si111.in\nq-e-qe-7.6/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si222.in\nq-e-qe-7.6/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si444.in\nq-e-qe-7.6/test-suite/pw_pbe/benchmark.out.git.inp=pbeq2d.in\nq-e-qe-7.6/test-suite/pw_pbe/pbe0-si111.in\nq-e-qe-7.6/test-suite/pw_pbe/pbe0-si222.in\nq-e-qe-7.6/test-suite/pw_pbe/pbe0-si444.in\nq-e-qe-7.6/test-suite/pw_pbe/pbeq2d.in\nq-e-qe-7.6/test-suite/pw_plugins/\nq-e-qe-7.6/test-suite/pw_plugins/benchmark.out.git.inp=plugin-pw2casino_1.in.args=48\nq-e-qe-7.6/test-suite/pw_plugins/benchmark.out.git.inp=plugin-pw2casino_2.in.args=48\nq-e-qe-7.6/test-suite/pw_plugins/plugin-pw2casino_1.in\nq-e-qe-7.6/test-suite/pw_plugins/plugin-pw2casino_2.in\nq-e-qe-7.6/test-suite/pw_realspace/\nq-e-qe-7.6/test-suite/pw_realspace/benchmark.out.git.inp=cluster_gs.in\nq-e-qe-7.6/test-suite/pw_realspace/benchmark.out.git.inp=cluster_gs50.in\nq-e-qe-7.6/test-suite/pw_realspace/benchmark.out.git.inp=cluster_rs.in\nq-e-qe-7.6/test-suite/pw_realspace/benchmark.out.git.inp=cluster_rs50.in\nq-e-qe-7.6/test-suite/pw_realspace/cluster_gs.in\nq-e-qe-7.6/test-suite/pw_realspace/cluster_gs50.in\nq-e-qe-7.6/test-suite/pw_realspace/cluster_rs.in\nq-e-qe-7.6/test-suite/pw_realspace/cluster_rs50.in\nq-e-qe-7.6/test-suite/pw_relax/\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax-damped.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax-el.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax-extfor.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax-fire.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax2-bfgs_ndim3.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax2.in\nq-e-qe-7.6/test-suite/pw_relax/relax-damped.in\nq-e-qe-7.6/test-suite/pw_relax/relax-el.in\nq-e-qe-7.6/test-suite/pw_relax/relax-extfor.in\nq-e-qe-7.6/test-suite/pw_relax/relax-fire.in\nq-e-qe-7.6/test-suite/pw_relax/relax.in\nq-e-qe-7.6/test-suite/pw_relax/relax2-bfgs_ndim3.in\nq-e-qe-7.6/test-suite/pw_relax/relax2.in\nq-e-qe-7.6/test-suite/pw_scf/\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-1.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-2.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-allfrac.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-cg-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-cg.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io-1.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io-2.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-gth.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-k0.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-kauto.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-kcrys.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_beta.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-ncpp.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-nofrac.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-occ.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-paro-k.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-k.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-paro-k.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf.in\nq-e-qe-7.6/test-suite/pw_scf/scf-1.in\nq-e-qe-7.6/test-suite/pw_scf/scf-2.in\nq-e-qe-7.6/test-suite/pw_scf/scf-allfrac.in\nq-e-qe-7.6/test-suite/pw_scf/scf-cg-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-cg.in\nq-e-qe-7.6/test-suite/pw_scf/scf-disk_io-1.in\nq-e-qe-7.6/test-suite/pw_scf/scf-disk_io-2.in\nq-e-qe-7.6/test-suite/pw_scf/scf-disk_io.in\nq-e-qe-7.6/test-suite/pw_scf/scf-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-gth.in\nq-e-qe-7.6/test-suite/pw_scf/scf-k0.in\nq-e-qe-7.6/test-suite/pw_scf/scf-kauto.in\nq-e-qe-7.6/test-suite/pw_scf/scf-kcrys.in\nq-e-qe-7.6/test-suite/pw_scf/scf-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_scf/scf-mixing_beta.in\nq-e-qe-7.6/test-suite/pw_scf/scf-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_scf/scf-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_scf/scf-ncpp.in\nq-e-qe-7.6/test-suite/pw_scf/scf-nofrac.in\nq-e-qe-7.6/test-suite/pw_scf/scf-occ.in\nq-e-qe-7.6/test-suite/pw_scf/scf-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-paro-k.in\nq-e-qe-7.6/test-suite/pw_scf/scf-rmm-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-rmm-k.in\nq-e-qe-7.6/test-suite/pw_scf/scf-rmm-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-rmm-paro-k.in\nq-e-qe-7.6/test-suite/pw_scf/scf.in\nq-e-qe-7.6/test-suite/pw_spinorbit/\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-1.in\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-3.in\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-paw.in\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-pbe.in\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit-1.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit-3.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit-paw.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit-pbe.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit.in\nq-e-qe-7.6/test-suite/pw_twochem/\nq-e-qe-7.6/test-suite/pw_twochem/benchmark.out.git.inp=nscf_twochem.in.args=2\nq-e-qe-7.6/test-suite/pw_twochem/benchmark.out.git.inp=relax_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/benchmark.out.git.inp=scf_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/benchmark.out.git.inp=vc-relax_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/nscf_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/relax_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/scf_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/vc-relax_twochem.in\nq-e-qe-7.6/test-suite/pw_uspp/\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-2.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-cg-gamma.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-cg.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-g.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-g_std.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-k.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-k_std.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-paro-k.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-singlegrid.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp1-coulomb.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp1.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp2.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-2.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-cg-gamma.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-cg.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-hyb-g.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-hyb-g_std.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-hyb-k.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-hyb-k_std.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-paro-k.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-singlegrid.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp1-coulomb.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp1.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-md1.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-md2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax1.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax3.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax4.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax5.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax6.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-md1.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-md2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax1.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax3.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax4.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax5.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax6.in\nq-e-qe-7.6/test-suite/pw_vdw/\nq-e-qe-7.6/test-suite/pw_vdw/beef-spin.in\nq-e-qe-7.6/test-suite/pw_vdw/beef.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=beef-spin.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=beef.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=rVV10.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdW-DF3-opt1.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdW-DF3-opt2.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-d2.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-d3.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-mbd-vc-relax.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-mbd.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-ts.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=xdm.in\nq-e-qe-7.6/test-suite/pw_vdw/rVV10.in\nq-e-qe-7.6/test-suite/pw_vdw/vdW-DF3-opt1.in\nq-e-qe-7.6/test-suite/pw_vdw/vdW-DF3-opt2.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-d2.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-d3.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-mbd-vc-relax.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-mbd.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-ts.in\nq-e-qe-7.6/test-suite/pw_vdw/xdm.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-gamma-restart-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-gamma-restart-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-k-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-k-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-gamma-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-gamma-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-restart-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-restart-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-smearing-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-smearing-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/ncpp-gamma-restart-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/ncpp-gamma-restart-2.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/ncpp-k-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/ncpp-k-2.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-gamma-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-gamma-2.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-k-restart-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-k-restart-2.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-k-smearing-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-k-smearing-2.in\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/benchmark.out.git.inp=relax-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/benchmark.out.git.inp=relax-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/relax-1.in\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/relax-2.in\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/benchmark.out.git.inp=scf-dos-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/benchmark.out.git.inp=scf-dos-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/scf-dos-1.in\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/scf-dos-2.in\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/benchmark.out.git.inp=vc-relax-dos-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/benchmark.out.git.inp=vc-relax-dos-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/vc-relax-dos-1.in\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/vc-relax-dos-2.in\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/benchmark.out.git.inp=vc-relax-scf-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/benchmark.out.git.inp=vc-relax-scf-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-1.expected_exit_msg\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-1.in\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-2.in\nq-e-qe-7.6/test-suite/run-all_currents.sh\nq-e-qe-7.6/test-suite/run-cp.sh\nq-e-qe-7.6/test-suite/run-epw.sh\nq-e-qe-7.6/test-suite/run-hp.sh\nq-e-qe-7.6/test-suite/run-image.sh\nq-e-qe-7.6/test-suite/run-kcw.sh\nq-e-qe-7.6/test-suite/run-oscdft.sh\nq-e-qe-7.6/test-suite/run-ph.sh\nq-e-qe-7.6/test-suite/run-pioud.sh\nq-e-qe-7.6/test-suite/run-pp.sh\nq-e-qe-7.6/test-suite/run-pw.sh\nq-e-qe-7.6/test-suite/run-tddfpt.sh\nq-e-qe-7.6/test-suite/run-zg.sh\nq-e-qe-7.6/test-suite/tddfpt_CH4/\nq-e-qe-7.6/test-suite/tddfpt_CH4/CH4.pw.in\nq-e-qe-7.6/test-suite/tddfpt_CH4/CH4.td-lan.in\nq-e-qe-7.6/test-suite/tddfpt_CH4/CH4.td-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.td-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.td-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_eels-al/\nq-e-qe-7.6/test-suite/tddfpt_eels-al/Al.pw.in\nq-e-qe-7.6/test-suite/tddfpt_eels-al/Al.tddfpt-eels.in\nq-e-qe-7.6/test-suite/tddfpt_eels-al/Al_uspp.pw.in\nq-e-qe-7.6/test-suite/tddfpt_eels-al/Al_uspp.tddfpt-eels.in\nq-e-qe-7.6/test-suite/tddfpt_eels-al/benchmark.out.git.inp=Al.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_eels-al/benchmark.out.git.inp=Al.tddfpt-eels.in.args=5\nq-e-qe-7.6/test-suite/tddfpt_eels-al/benchmark.out.git.inp=Al_uspp.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_eels-al/benchmark.out.git.inp=Al_uspp.tddfpt-eels.in.args=5\nq-e-qe-7.6/test-suite/tddfpt_eels-si/\nq-e-qe-7.6/test-suite/tddfpt_eels-si/Si.pw.in\nq-e-qe-7.6/test-suite/tddfpt_eels-si/Si.tddfpt-eels.in\nq-e-qe-7.6/test-suite/tddfpt_eels-si/Si.tddfpt_pp_eels.in\nq-e-qe-7.6/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.tddfpt-eels.in.args=5\nq-e-qe-7.6/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.tddfpt_pp_eels.in.args=4\nq-e-qe-7.6/test-suite/tddfpt_hyb/\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetd-dav.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetd-lan.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetd-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetda-dav.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetda-lan.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetda-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetd-dav.in.args=8\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetd-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetd-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetda-dav.in.args=8\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetda-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetda-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=td-dav.in.args=8\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=td-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=td-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=tda-dav.in.args=8\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=tda-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=tda-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_hyb/pw.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/td-dav.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/td-lan.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/td-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/tda-dav.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/tda-lan.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/tda-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/Fe.pw.in\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/Fe.tddfpt-magnons.in\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/Fe.tddfpt_pp_magnons.in\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.tddfpt-magnons.in.args=6\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.tddfpt_pp_magnons.in.args=7\nq-e-qe-7.6/test-suite/testcode/\nq-e-qe-7.6/test-suite/testcode/LICENSE\nq-e-qe-7.6/test-suite/testcode/README.rst\nq-e-qe-7.6/test-suite/testcode/bin/\nq-e-qe-7.6/test-suite/testcode/bin/testcode.py\nq-e-qe-7.6/test-suite/testcode/docs/\nq-e-qe-7.6/test-suite/testcode/docs/.static/\nq-e-qe-7.6/test-suite/testcode/docs/.static/dummy_file\nq-e-qe-7.6/test-suite/testcode/docs/.templates/\nq-e-qe-7.6/test-suite/testcode/docs/.templates/dummy_file\nq-e-qe-7.6/test-suite/testcode/docs/Makefile\nq-e-qe-7.6/test-suite/testcode/docs/conf.py\nq-e-qe-7.6/test-suite/testcode/docs/configuration_files.rst\nq-e-qe-7.6/test-suite/testcode/docs/index.rst\nq-e-qe-7.6/test-suite/testcode/docs/installation.rst\nq-e-qe-7.6/test-suite/testcode/docs/jobconfig.rst\nq-e-qe-7.6/test-suite/testcode/docs/testcode.py.rst\nq-e-qe-7.6/test-suite/testcode/docs/userconfig.rst\nq-e-qe-7.6/test-suite/testcode/docs/verification.rst\nq-e-qe-7.6/test-suite/testcode/lib/\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/__init__.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/_functools_dummy.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/ansi.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/compatibility.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/config.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/dir_lock.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/exceptions.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/queues.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/util.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/validation.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/vcs.py\nq-e-qe-7.6/test-suite/userconfig.tmp\nq-e-qe-7.6/test-suite/validate_xsd_pw.py\nq-e-qe-7.6/test-suite/xsd_pw/\nq-e-qe-7.6/test-suite/xsd_pw/WaterP1_0_scf_0.in\nq-e-qe-7.6/test-suite/zg_conf/\nq-e-qe-7.6/test-suite/zg_conf/benchmark.out.git.inp=zg.in.args=0\nq-e-qe-7.6/test-suite/zg_conf/si.10_10_10.fc\nq-e-qe-7.6/test-suite/zg_conf/zg.in\nq-e-qe-7.6/upflib/\nq-e-qe-7.6/upflib/CMakeLists.txt\nq-e-qe-7.6/upflib/Makefile\nq-e-qe-7.6/upflib/README.md\nq-e-qe-7.6/upflib/TODO_upflib.md\nq-e-qe-7.6/upflib/atom.f90\nq-e-qe-7.6/upflib/atomic_number.f90\nq-e-qe-7.6/upflib/atwfc_mod.f90\nq-e-qe-7.6/upflib/beta_mod.f90\nq-e-qe-7.6/upflib/casino2upf.f90\nq-e-qe-7.6/upflib/casino_pp.f90\nq-e-qe-7.6/upflib/dom.f90\nq-e-qe-7.6/upflib/dqvan2.f90\nq-e-qe-7.6/upflib/dylmr2.f90\nq-e-qe-7.6/upflib/fixfiles.py\nq-e-qe-7.6/upflib/gen_us_dj.f90\nq-e-qe-7.6/upflib/gen_us_dy.f90\nq-e-qe-7.6/upflib/gth.f90\nq-e-qe-7.6/upflib/hgh2qe.f90\nq-e-qe-7.6/upflib/init_us_0.f90\nq-e-qe-7.6/upflib/init_us_1.f90\nq-e-qe-7.6/upflib/init_us_2_acc.f90\nq-e-qe-7.6/upflib/init_us_b0.f90\nq-e-qe-7.6/upflib/paw_variables.f90\nq-e-qe-7.6/upflib/pseudo_types.f90\nq-e-qe-7.6/upflib/qrad_mod.f90\nq-e-qe-7.6/upflib/qvan2.f90\nq-e-qe-7.6/upflib/radial_grids.f90\nq-e-qe-7.6/upflib/read_cpmd.f90\nq-e-qe-7.6/upflib/read_fhi.f90\nq-e-qe-7.6/upflib/read_ncpp.f90\nq-e-qe-7.6/upflib/read_ps.f90\nq-e-qe-7.6/upflib/read_psml.f90\nq-e-qe-7.6/upflib/read_upf_new.f90\nq-e-qe-7.6/upflib/read_upf_v1.f90\nq-e-qe-7.6/upflib/read_uspp.f90\nq-e-qe-7.6/upflib/rhoat_mod.f90\nq-e-qe-7.6/upflib/rhoc_mod.f90\nq-e-qe-7.6/upflib/simpsn.f90\nq-e-qe-7.6/upflib/sph_bes.f90\nq-e-qe-7.6/upflib/sph_ind.f90\nq-e-qe-7.6/upflib/spinor.f90\nq-e-qe-7.6/upflib/splinelib.f90\nq-e-qe-7.6/upflib/upf_auxtools.f90\nq-e-qe-7.6/upflib/upf_const.f90\nq-e-qe-7.6/upflib/upf_error.f90\nq-e-qe-7.6/upflib/upf_invmat.f90\nq-e-qe-7.6/upflib/upf_io.f90\nq-e-qe-7.6/upflib/upf_ions.f90\nq-e-qe-7.6/upflib/upf_kinds.f90\nq-e-qe-7.6/upflib/upf_kinds.h\nq-e-qe-7.6/upflib/upf_parallel_include.f90\nq-e-qe-7.6/upflib/upf_params.f90\nq-e-qe-7.6/upflib/upf_spinorb.f90\nq-e-qe-7.6/upflib/upf_to_internal.f90\nq-e-qe-7.6/upflib/upf_utils.f90\nq-e-qe-7.6/upflib/upfconv.f90\nq-e-qe-7.6/upflib/uspp.f90\nq-e-qe-7.6/upflib/uspp_param.f90\nq-e-qe-7.6/upflib/virtual_v2.f90\nq-e-qe-7.6/upflib/vloc_mod.f90\nq-e-qe-7.6/upflib/write_upf_new.f90\nq-e-qe-7.6/upflib/wxml.f90\nq-e-qe-7.6/upflib/xmltools.f90\nq-e-qe-7.6/upflib/ylmr2.f90\nq-e-qe-7.6/upflib/ylmr2_gpu.f90\n/kaggle/working/q-e-qe-7.6\n","output_type":"stream"}],"execution_count":2},{"cell_type":"markdown","source":"Here, nvfortran is a requirement otherwise the code cannot work. Use cuda 12.3 or above (use versions which give direct tarball over the newer 13.0+ interactive installer as it does not work).","metadata":{}},{"cell_type":"code","source":"%cd /kaggle/working\n!wget https://developer.download.nvidia.com/hpc-sdk/24.11/nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\n!tar xpzf nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\n!rm -rf nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-10T07:06:27.438735Z","iopub.execute_input":"2026-08-10T07:06:27.439114Z","iopub.status.idle":"2026-08-10T07:15:58.056118Z","shell.execute_reply.started":"2026-08-10T07:06:27.439084Z","shell.execute_reply":"2026-08-10T07:15:58.054047Z"}},"outputs":[{"name":"stdout","text":"/kaggle/working\n--2026-08-10 07:06:27-- https://developer.download.nvidia.com/hpc-sdk/24.11/nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\nResolving developer.download.nvidia.com (developer.download.nvidia.com)... 23.59.88.238, 23.59.88.228, 23.59.88.236, ...\nConnecting to developer.download.nvidia.com (developer.download.nvidia.com)|23.59.88.238|:443... connected.\nHTTP request sent, awaiting response... 200 OK\nLength: 6131381079 (5.7G) [application/x-tar]\nSaving to: ‘nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz’\n\nnvhpc_2024_2411_Lin 100%[===================>] 5.71G 14.8MB/s in 7m 29s \n\n2026-08-10 07:13:57 (13.0 MB/s) - ‘nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz’ saved [6131381079/6131381079]\n\n","output_type":"stream"}],"execution_count":3},{"cell_type":"markdown","source":"## 3. Setting environment for running ","metadata":{}},{"cell_type":"markdown","source":"This part is extremely crucial, **do not** skip. Without this step, the whole process is not applicable.","metadata":{}},{"cell_type":"code","source":"import os\n\nbase = \"/kaggle/working/nvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11\" # Change path to current path where the nvhpc folder is\n\nos.environ[\"PATH\"] = base + \"/compilers/bin:\" + os.environ[\"PATH\"]\nos.environ[\"LD_LIBRARY_PATH\"] = base + \"/compilers/lib:\" + os.environ.get(\"LD_LIBRARY_PATH\", \"\")\nprint(\"Environment set.\")\n!nvfortran --version\nprint(\" \")\nprint(\"Check for error\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-10T07:15:58.058578Z","iopub.execute_input":"2026-08-10T07:15:58.058896Z","iopub.status.idle":"2026-08-10T07:16:00.163431Z","shell.execute_reply.started":"2026-08-10T07:15:58.058865Z","shell.execute_reply":"2026-08-10T07:16:00.162374Z"}},"outputs":[{"name":"stdout","text":"Environment set.\n\nnvfortran 24.11-0 64-bit target on Linux -tp skylake-avx512 \nNVIDIA Compilers and Tools\nCopyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.\n\nnvfortran 24.11-0 64-bit target on x86-64 Linux -tp skylake-avx512 \nNVIDIA Compilers and Tools\nCopyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.\n \nCheck for error\n","output_type":"stream"}],"execution_count":4},{"cell_type":"markdown","source":"## 4. Set config ","metadata":{}},{"cell_type":"markdown","source":"Ensure to not tinker with the config unless **absolutely needed**. **Do not modify.**","metadata":{}},{"cell_type":"code","source":"%cd /kaggle/working/q-e-qe-7.6 \n# Change path as per need\n!export LIBXC_LIBS=\"-L/usr/lib/x86_64-linux-gnu -lxc -lxcf03\"\n!export LIBXC_CFLAGS=\"-I/usr/include\"\n!./configure \\\n FC=nvfortran \\\n F90=nvfortran \\\n F77=nvfortran \\\n MPIF90=nvfortran \\\n CC=nvc \\\n CXX=nvc++ \\\n LD=nvfortran \\\n --with-cuda=yes \\\n --with-cuda-runtime=12.6 \\\n --with-cuda-cc=60 \\\n --with-scalapack=no","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-10T07:16:00.165199Z","iopub.execute_input":"2026-08-10T07:16:00.165635Z","iopub.status.idle":"2026-08-10T07:16:10.329941Z","shell.execute_reply.started":"2026-08-10T07:16:00.165603Z","shell.execute_reply":"2026-08-10T07:16:10.329240Z"}},"outputs":[{"name":"stdout","text":"/kaggle/working/q-e-qe-7.6\nin-source build\nchecking build system type... x86_64-pc-linux-gnu\nchecking ARCH... x86_64\nchecking setting AR... ... ar\nchecking setting ARFLAGS... ... ruv\nconfigure: WARNING: --with-cuda is obsolete, use --with-gpu=cuda instead\nchecking whether the Fortran compiler works... yes\nchecking for Fortran compiler default output file name... a.out\nchecking for suffix of executables... \nchecking whether we are cross compiling... no\nchecking for suffix of object files... o\nchecking whether we are using the GNU Fortran compiler... no\nchecking whether nvfortran accepts -g... yes\nchecking for Fortran flag to compile .f90 files... none\nchecking for nvfortran... nvfortran\nchecking whether we are using the GNU Fortran compiler... no\nchecking whether nvfortran accepts -g... yes\nchecking version of nvfortran... nvfortran 24.11-0\nconfigure: WARNING: Check whether user-supplied F90 is consistent with MPIF90 !!! \nsetting F90... nvfortran\nsetting MPIF90... nvfortran\nchecking whether we are using the GNU C compiler... yes\nchecking whether nvc accepts -g... yes\nchecking for nvc option to accept ISO C89... none needed\nsetting CC... nvc\nsetting CFLAGS... -O3\nusing F90... nvfortran\nsetting FFLAGS... -fast\nsetting F90FLAGS... -fast -Mcache_align -Mpreprocess -Mlarge_arrays\nsetting FFLAGS_NOOPT... -O0\nsetting FFLAGS_NOMAIN... -Mnomain\nsetting CPP... cpp\nsetting CPPFLAGS... -P -traditional -Uvector\nsetting LD... nvfortran\nsetting LDFLAGS...\nchecking whether Fortran compiler accepts -cuda -gpu=cuda12.6... yes\nchecking whether make sets $(MAKE)... yes\nchecking whether Fortran files must be preprocessed... no\nchecking for library containing dgemm... -lmkl_intel_lp64\nsetting BLAS_LIBS... -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nchecking FFT... \nchecking MASS... \nchecking for library containing mpi_init... no\nchecking ELPA... \nchecking for Environ... not used\nchecking if legacy plugins are enabled ... no\nchecking for ranlib... ranlib\nchecking for wget... wget -O\nsetting WGET... wget -O\nchecking for git... git\nsetting DFLAGS... -D__PGI -D__CUDA -D__DFTI\nsetting IFLAGS... -I. -I$(TOPDIR)/include -I/opt/intel/mkl/include\nconfigure: creating ./config.status\nconfig.status: creating install/make_lapack.inc\nconfig.status: creating make.inc\nconfig.status: creating configure.msg\nconfig.status: creating install/make_wannier90.inc\n/kaggle/working/q-e-qe-7.6/install/makedeps.sh: no arguments, compute all dependencies\ndirectory KCW/PP : okk ok okk okI : ok\nall dependencies updated successfully\n--------------------------------------------------------------------\nESPRESSO can take advantage of several optimized numerical libraries\n(essl, fftw, mkl...). This configure script attempts to find them,\nbut may fail if they have been installed in non-standard locations.\nIf a required library is not found, the local copy will be compiled.\n\nThe following libraries have been found:\n BLAS_LIBS= -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\n LAPACK_LIBS=\n FFT_LIBS=\n \n \n\nPlease check if this is what you expect.\n\nIf any libraries are missing, you may specify a list of directories\nto search and retry, as follows:\n ./configure LIBDIRS=\"list of directories, separated by spaces\"\n\nParallel environment not detected \\(is this a parallel machine?\\).\\\nConfigured for compilation of serial executables.\n\nFor more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).\n--------------------------------------------------------------------\nconfigure: success\n","output_type":"stream"}],"execution_count":5},{"cell_type":"markdown","source":"If final output shows configure: success, continue. Otherwise, search for documentation or use AI to help troubleshoot.","metadata":{}},{"cell_type":"code","source":"from pathlib import Path\nimport re\n\npath = Path(\"/kaggle/working/q-e-qe-7.6/make.inc\")\ntext = path.read_text()\n\nnew_lines = []\nfor line in text.splitlines():\n if line.strip().startswith(\"DFLAGS\"):\n line = re.sub(r\"-D__DFTI\\b\", \"\", line)\n line = re.sub(r\"-D__FFTW3\\b\", \"\", line)\n line = re.sub(r\"-D__FFTW\\b\", \"\", line)\n line = line.rstrip() + \" -D__FFTW\"\n new_lines.append(line)\n\npath.write_text(\"\\n\".join(new_lines) + \"\\n\")\n\nprint(\"Updated DFLAGS:\")\nfor line in new_lines:\n if line.strip().startswith(\"DFLAGS\"):\n print(line)","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-10T07:16:10.331124Z","iopub.execute_input":"2026-08-10T07:16:10.331448Z","iopub.status.idle":"2026-08-10T07:16:10.340062Z","shell.execute_reply.started":"2026-08-10T07:16:10.331416Z","shell.execute_reply":"2026-08-10T07:16:10.339426Z"}},"outputs":[{"name":"stdout","text":"Updated DFLAGS:\nDFLAGS = -D__PGI -D__CUDA -D__FFTW\n","output_type":"stream"}],"execution_count":6},{"cell_type":"markdown","source":"## 5. Compile and Run","metadata":{}},{"cell_type":"markdown","source":"The below code may take a few minutes to run. **Do not** interrupt execution. In case of errors saying certain parts are not there/broken, remove the comment on the cell below the given one. Then run the below cell and re-comment.","metadata":{}},{"cell_type":"code","source":"!cd /kaggle/working/q-e-qe-7.6/bin\n!make pw -j4 2>&1\n!make ph -j4 2>&1\n!make pp -j4 2>&1","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-10T07:16:10.341108Z","iopub.execute_input":"2026-08-10T07:16:10.341974Z","iopub.status.idle":"2026-08-10T07:24:32.552887Z","shell.execute_reply.started":"2026-08-10T07:16:10.341939Z","shell.execute_reply":"2026-08-10T07:24:32.551752Z"}},"outputs":[{"name":"stdout","text":"/bin/bash: line 1: cd: /kaggle/working/q-e-qe-7.6/bin: No such file or directory\ntest -d bin || mkdir bin\n( cd UtilXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libdevx || exit 1 )\n( cd FFTXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libmbd || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c parallel_include.f90 -o parallel_include.o\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\n( cd src ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_param.f90 -o fft_param.o\ninitializing external/mbd submodule ...\ninitializing external/devxlib submodule ...\n\u001b[33mhint: Using 'master' as the name for the initial branch. This default branch name\u001b[m\n\u001b[33mhint: Using 'master' as the name for the initial branch. This default branch name\u001b[m\n\u001b[33mhint: is subject to change. To configure the initial branch name to use in all\u001b[m\n\u001b[33mhint: is subject to change. To configure the initial branch name to use in all\u001b[m\n\u001b[33mhint: of your new repositories, which will suppress this warning, call:\u001b[m\n\u001b[33mhint: of your new repositories, which will suppress this warning, call:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit config --global init.defaultBranch \u001b[m\n\u001b[33mhint: \tgit config --global init.defaultBranch \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: Names commonly chosen instead of 'master' are 'main', 'trunk' and\u001b[m\n\u001b[33mhint: Names commonly chosen instead of 'master' are 'main', 'trunk' and\u001b[m\n\u001b[33mhint: 'development'. The just-created branch can be renamed via this command:\u001b[m\n\u001b[33mhint: 'development'. The just-created branch can be renamed via this command:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit branch -m \u001b[m\n\u001b[33mhint: \tgit branch -m \u001b[m\nInitialized empty Git repository in /kaggle/working/q-e-qe-7.6/external/devxlib/.git/\nInitialized empty Git repository in /kaggle/working/q-e-qe-7.6/external/mbd/.git/\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fftw_interfaces.f90 -o fftw_interfaces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c nvtx_wrapper.f90 -o nvtx_wrapper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.FFTW3.f90 -o fft_scalar.FFTW3.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.FFTW3.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.SX6.f90 -o fft_scalar.SX6.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.SX6.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.cuFFT.f90 -o fft_scalar.cuFFT.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c cptimer.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c copy.c\nremote: Enumerating objects: 84, done.\u001b[K\nremote: Counting objects: 100% (84/84), done.\u001b[K\nremote: Compressing objects: 100% (82/82), done.\u001b[K\nremote: Total 84 (delta 3), reused 19 (delta 0), pack-reused 0 (from 0)\u001b[K\nUnpacking objects: 100% (84/84), 112.48 KiB | 2.68 MiB/s, done.\nFrom https://github.com/libmbd/libmbd\n * branch 89a3cc199c0a200c9f0f688c3229ef6b9a8d63bd -> FETCH_HEAD\nSwitched to a new branch 'recorded_HEAD'\ntouch git_mbd\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c c_mkdir.c\nif test ! -f /kaggle/working/q-e-qe-7.6/MBD/make_mbd; then \\\n mkdir /kaggle/working/q-e-qe-7.6/MBD; \\\n cd /kaggle/working/q-e-qe-7.6/external/mbd/src; \\\n export FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include \"; \\\n (make -f ../../mbd.make && touch /kaggle/working/q-e-qe-7.6/MBD/make_mbd); \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/MBD; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/external/mbd/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_constants.f90\nsed -e 's/@PROJECT_VERSION_MAJOR@/0/' mbd_version.f90.in > mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_MINOR@/13/' mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_PATCH@/0/' mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_SUFFIX@/0/' mbd_version.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_gradients.f90\nremote: Enumerating objects: 117, done.\u001b[K\nremote: Counting objects: 100% (117/117), done.\u001b[K\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c device_helper.f90 -o device_helper.o\nremote: Compressing objects: 100% (104/104), done.\u001b[K\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_defaults.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_linalg.F90\nremote: Total 117 (delta 16), reused 68 (delta 8), pack-reused 0 (from 0)\u001b[K\nReceiving objects: 100% (117/117), 5.07 MiB | 16.59 MiB/s, done.\nResolving deltas: 100% (16/16), done.\nFrom https://gitlab.com/max-centre/components/devicexlib\n * branch a6b89ef77b1ceda48e967921f1f5488d2df9226d -> FETCH_HEAD\nSwitched to a new branch 'recorded_HEAD'\ntouch git_devx\nif test ! -f /kaggle/working/q-e-qe-7.6/devxlib/make_devx; then \\\nmkdir -p /kaggle/working/q-e-qe-7.6/devxlib/src ; \\\ncd /kaggle/working/q-e-qe-7.6/external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.6/make.inc ../; \\\n( make all && touch /kaggle/working/q-e-qe-7.6/devxlib/make_devx ) ; \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/devxlib/src/ ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/external/devxlib/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_auxfunc_mod.f90 -o device_auxfunc_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_auxfunc_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_version.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_smallbox.f90 -o fft_smallbox.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_fbuff.f90 -o device_fbuff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_utils.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw_sp.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_damping.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_formulas.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_lapack.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_vdw_param.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_matrix.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_geom.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_dipole.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_memcpy_mod.f90 -o device_memcpy_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_memcpy_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_memcpy.f90 -o device_memcpy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_ts.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c eval_infix.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_coulomb.f90\n\u001b[01m\u001b[0m\u001b[01m\"eval_infix.c\", line 431\u001b[0m: \u001b[01;35mwarning\u001b[0m: statement is unreachable [code_is_unreachable]\n return EOL;\n ^\n\n\u001b[01;36m\u001b[0m\u001b[01;36mRemark\u001b[0m: individual warnings can be suppressed with \"--diag_suppress \"\n\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c find_free_unit.f90 -o find_free_unit.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fletcher32.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c md5.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c md5_from_file.c\n\u001b[01m\u001b[0m\u001b[01m\"md5_from_file.c\", line 79\u001b[0m: \u001b[01;35mwarning\u001b[0m: parameter \u001b[01m\"err\"\u001b[0m was set but never used [set_but_not_used]\n void get_md5(const char *file, char *md5, int err)\n ^\n\n\u001b[01;36m\u001b[0m\u001b[01;36mRemark\u001b[0m: individual warnings can be suppressed with \"--diag_suppress \"\n\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c memstat.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c memusage.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mem_counter.f90 -o mem_counter.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c ptrace.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c util_param.f90 -o util_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c clib_wrappers.f90 -o clib_wrappers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_density.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c clocks_handler.f90 -o clocks_handler.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_hamiltonian.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mp.f90 -o mp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_rpa.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_scs.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_methods.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw_dp.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd.F90\nar -r libmbd.a mbd.o mbd_constants.o mbd_coulomb.o mbd_damping.o mbd_defaults.o mbd_density.o mbd_dipole.o mbd_formulas.o mbd_geom.o mbd_gradients.o mbd_hamiltonian.o mbd_lapack.o mbd_linalg.o mbd_matrix.o mbd_methods.o mbd_rpa.o mbd_scs.o mbd_ts.o mbd_utils.o mbd_version.o mbd_vdw_param.o\nar: creating libmbd.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/external/mbd/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_auxfunc.f90 -o device_auxfunc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c data_buffer.f90 -o data_buffer.o\n( cd XClib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/XClib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xclib_utils_and_para.f90 -o xclib_utils_and_para.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_kind.f90 -o qe_kind.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c pbecor.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c error_handler.f90 -o error_handler.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c beefun.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mp_bands_util.f90 -o mp_bands_util.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c fletcher32_mod.f90 -o fletcher32_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mp_base.f90 -o mp_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xclib_error.f90 -o xclib_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_constants.f90 -o qe_constants.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c dft_setting_params.f90 -o dft_setting_params.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_corr_lda_lsda.f90 -o qe_funct_corr_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mp_base_gpu.f90 -o mp_base_gpu.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c timer.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c timer_mod.f90 -o timer_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_fbuff_mod.f90 -o device_fbuff_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_fbuff_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c deviceXlib_mod.f90 -o deviceXlib_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (deviceXlib_mod.f90: 13)\nar ruv libdevXlib.a deviceXlib_mod.o device_memcpy.o device_memcpy_mod.o device_auxfunc.o device_auxfunc_mod.o device_fbuff.o device_fbuff_mod.o timer.o timer_mod.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdevXlib.a\na - deviceXlib_mod.o\na - device_memcpy.o\na - device_memcpy_mod.o\na - device_auxfunc.o\na - device_auxfunc_mod.o\na - device_fbuff.o\na - device_fbuff_mod.o\na - timer.o\na - timer_mod.o\nranlib libdevXlib.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/external/devxlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_error.f90 -o fft_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_exch_lda_lsda.f90 -o qe_funct_exch_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c print_mem.f90 -o print_mem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_exch_gga.f90 -o qe_funct_exch_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_beef_interface.f90 -o xc_beef_interface.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c set_mpi_comm_4_solvers.f90 -o set_mpi_comm_4_solvers.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fft_stick.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_lda_lsda.f90 -o qe_drivers_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c thread_util.f90 -o thread_util.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c divide.f90 -o divide.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_support.f90 -o fft_support.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_dft_list.f90 -o qe_dft_list.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c export_gstart_2_solvers.f90 -o export_gstart_2_solvers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c stick_base.f90 -o stick_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.DFTI.f90 -o fft_scalar.DFTI.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_corr_gga.f90 -o qe_funct_corr_gga.o\nar ruv libutil.a clib_wrappers.o clocks_handler.o cptimer.o copy.o c_mkdir.o device_helper.o divide.o data_buffer.o eval_infix.o error_handler.o export_gstart_2_solvers.o find_free_unit.o fletcher32_mod.o fletcher32.o md5.o md5_from_file.o memstat.o memusage.o mem_counter.o mp.o mp_base.o mp_base_gpu.o mp_bands_util.o parallel_include.o print_mem.o ptrace.o set_mpi_comm_4_solvers.o util_param.o thread_util.o nvtx_wrapper.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libutil.a\na - clib_wrappers.o\na - clocks_handler.o\na - cptimer.o\na - copy.o\na - c_mkdir.o\na - device_helper.o\na - divide.o\na - data_buffer.o\na - eval_infix.o\na - error_handler.o\na - export_gstart_2_solvers.o\na - find_free_unit.o\na - fletcher32_mod.o\na - fletcher32.o\na - md5.o\na - md5_from_file.o\na - memstat.o\na - memusage.o\na - mem_counter.o\na - mp.o\na - mp_base.o\na - mp_base_gpu.o\na - mp_bands_util.o\na - parallel_include.o\na - print_mem.o\na - ptrace.o\na - set_mpi_comm_4_solvers.o\na - util_param.o\na - thread_util.o\na - nvtx_wrapper.o\nranlib libutil.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\n( cd LAXlib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/LAXlib'\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib.h -o laxlib.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_hi.h -o laxlib_hi.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_kinds.h -o laxlib_kinds.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_low.h -o laxlib_low.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_mid.h -o laxlib_mid.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_param.h -o laxlib_param.fh\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_types.f90 -o la_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_param.f90 -o la_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_module.f90 -o la_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.ESSL.f90 -o fft_scalar.ESSL.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.ESSL.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_d_lda_lsda.f90 -o qe_drivers_d_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.FFTW.f90 -o fft_scalar.FFTW.o\n( cd upflib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/upflib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_kinds.f90 -o upf_kinds.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_types.f90 -o fft_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_io.f90 -o upf_io.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_params.f90 -o upf_params.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_utils.f90 -o upf_utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c dspev_drv.f90 -o dspev_drv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_invmat.f90 -o upf_invmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c paw_variables.f90 -o paw_variables.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atomic_number.f90 -o atomic_number.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dylmr2.f90 -o dylmr2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_lda_lsda.f90 -o xc_wrapper_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mp_diag.f90 -o mp_diag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c splinelib.f90 -o splinelib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c dft_setting_routines.f90 -o dft_setting_routines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c zhpev_drv.f90 -o zhpev_drv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c xmltools.f90 -o xmltools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_mgga.f90 -o qe_funct_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c rdiaghg.f90 -o rdiaghg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c spinor.f90 -o spinor.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c sph_ind.f90 -o sph_ind.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c simpsn.f90 -o simpsn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.f90 -o fft_scalar.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_parallel_include.f90 -o upf_parallel_include.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scatter.f90 -o fft_scatter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c ylmr2_gpu.f90 -o ylmr2_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c cdiagh.f90 -o cdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c rdiagh.f90 -o rdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c ptoolkit.f90 -o ptoolkit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_smallbox_type.f90 -o fft_smallbox_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dom.f90 -o dom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c tg_gather.f90 -o tg_gather.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c wxml.f90 -o wxml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_const.f90 -o upf_const.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_gga.f90 -o qe_drivers_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c pseudo_types.f90 -o pseudo_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c sph_bes.f90 -o sph_bes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_helper_subroutines.f90 -o fft_helper_subroutines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_auxtools.f90 -o upf_auxtools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_mgga.f90 -o qe_drivers_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_error.f90 -o upf_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c write_upf_new.f90 -o write_upf_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_d_lda_lsda.f90 -o xc_wrapper_d_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_gga.f90 -o xc_wrapper_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_mgga.f90 -o xc_wrapper_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c ylmr2.f90 -o ylmr2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c virtual_v2.f90 -o virtual_v2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_lib.f90 -o xc_lib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_d_gga.f90 -o qe_drivers_d_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c transto.f90 -o transto.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_d_gga.f90 -o xc_wrapper_d_gga.o\nar ruv xc_lib.a xclib_utils_and_para.o xclib_error.o qe_kind.o qe_constants.o dft_setting_params.o dft_setting_routines.o qe_dft_list.o qe_funct_corr_lda_lsda.o qe_funct_exch_lda_lsda.o qe_funct_corr_gga.o qe_funct_exch_gga.o qe_funct_mgga.o xc_beef_interface.o qe_drivers_lda_lsda.o qe_drivers_d_lda_lsda.o qe_drivers_gga.o qe_drivers_d_gga.o qe_drivers_mgga.o xc_wrapper_d_gga.o xc_wrapper_d_lda_lsda.o xc_wrapper_gga.o xc_wrapper_lda_lsda.o xc_wrapper_mgga.o xc_lib.o pbecor.o beefun.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating xc_lib.a\na - xclib_utils_and_para.o\na - xclib_error.o\na - qe_kind.o\na - qe_constants.o\na - dft_setting_params.o\na - dft_setting_routines.o\na - qe_dft_list.o\na - qe_funct_corr_lda_lsda.o\na - qe_funct_exch_lda_lsda.o\na - qe_funct_corr_gga.o\na - qe_funct_exch_gga.o\na - qe_funct_mgga.o\na - xc_beef_interface.o\na - qe_drivers_lda_lsda.o\na - qe_drivers_d_lda_lsda.o\na - qe_drivers_gga.o\na - qe_drivers_d_gga.o\na - qe_drivers_mgga.o\na - xc_wrapper_d_gga.o\na - xc_wrapper_d_lda_lsda.o\na - xc_wrapper_gga.o\na - xc_wrapper_lda_lsda.o\na - xc_wrapper_mgga.o\na - xc_lib.o\na - pbecor.o\na - beefun.o\nranlib xc_lib.a\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/XClib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c distools.f90 -o distools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c casino_pp.f90 -o casino_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_error.f90 -o la_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_helper.f90 -o la_helper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c scatter_mod.f90 -o scatter_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c cdiaghg.f90 -o cdiaghg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scatter_2d.f90 -o fft_scatter_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c radial_grids.f90 -o radial_grids.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_buffers.f90 -o fft_buffers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c uspp_param.f90 -o uspp_param.o\nar ruv libqela.a la_types.o la_error.o la_module.o la_helper.o cdiaghg.o rdiaghg.o cdiagh.o rdiagh.o dspev_drv.o ptoolkit.o transto.o distools.o zhpev_drv.o mp_diag.o la_param.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqela.a\na - la_types.o\na - la_error.o\na - la_module.o\na - la_helper.o\na - cdiaghg.o\na - rdiaghg.o\na - cdiagh.o\na - rdiagh.o\na - dspev_drv.o\na - ptoolkit.o\na - transto.o\na - distools.o\na - zhpev_drv.o\na - mp_diag.o\na - la_param.o\nranlib libqela.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/LAXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gth.f90 -o gth.o\n( cd KS_Solvers ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c david_rci.f90 -o david_rci.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scatter_2d_gpu.f90 -o fft_scatter_2d_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_ggen.f90 -o fft_ggen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_cpmd.f90 -o read_cpmd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_fhi.f90 -o read_fhi.o\nar ruv libdavid_rci.a david_rci.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdavid_rci.a\na - david_rci.o\nranlib libdavid_rci.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c cegterg.f90 -o cegterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_interfaces.f90 -o fft_interfaces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c regterg.f90 -o regterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scatter_gpu.f90 -o fft_scatter_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_ncpp.f90 -o read_ncpp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_parallel_2d.f90 -o fft_parallel_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_psml.f90 -o read_psml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_upf_new.f90 -o read_upf_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_interpolate.f90 -o fft_interpolate.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcegterg.f90 -o pcegterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_upf_v1.f90 -o read_upf_v1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_parallel.f90 -o fft_parallel.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pregterg.f90 -o pregterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_uspp.f90 -o read_uspp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_fwinv.f90 -o fft_fwinv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_ions.f90 -o upf_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_to_internal.f90 -o upf_to_internal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upfconv.f90 -o upfconv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c casino2upf.f90 -o casino2upf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atom.f90 -o atom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_spinorb.f90 -o upf_spinorb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_0.f90 -o init_us_0.o\nar ruv libdavid.a cegterg.o regterg.o pcegterg.o pregterg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdavid.a\na - cegterg.o\na - regterg.o\na - pcegterg.o\na - pregterg.o\nranlib libdavid.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c ccgdiagg.f90 -o ccgdiagg.o\nar ruv libqefft.a scatter_mod.o fft_scatter_2d.o fft_scatter_gpu.o fft_scatter_2d_gpu.o fft_ggen.o fft_fwinv.o fft_scalar.o fft_scalar.DFTI.o fft_scalar.ESSL.o fft_scalar.FFTW.o fft_scatter.o fft_scalar.cuFFT.o fftw_interfaces.o fft_scalar.FFTW3.o fft_scalar.SX6.o fft_parallel.o fft_parallel_2d.o fft_interfaces.o fft_interpolate.o stick_base.o fftw.o fftw_sp.o fftw_dp.o fft_smallbox.o fft_smallbox_type.o fft_support.o fft_error.o fft_stick.o fft_types.o tg_gather.o fft_helper_subroutines.o fft_param.o fft_buffers.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqefft.a\na - scatter_mod.o\na - fft_scatter_2d.o\na - fft_scatter_gpu.o\na - fft_scatter_2d_gpu.o\na - fft_ggen.o\na - fft_fwinv.o\na - fft_scalar.o\na - fft_scalar.DFTI.o\na - fft_scalar.ESSL.o\na - fft_scalar.FFTW.o\na - fft_scatter.o\na - fft_scalar.cuFFT.o\na - fftw_interfaces.o\na - fft_scalar.FFTW3.o\na - fft_scalar.SX6.o\na - fft_parallel.o\na - fft_parallel_2d.o\na - fft_interfaces.o\na - fft_interpolate.o\na - stick_base.o\na - fftw.o\na - fftw_sp.o\na - fftw_dp.o\na - fft_smallbox.o\na - fft_smallbox_type.o\na - fft_support.o\na - fft_error.o\na - fft_stick.o\na - fft_types.o\na - tg_gather.o\na - fft_helper_subroutines.o\na - fft_param.o\na - fft_buffers.o\nranlib libqefft.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c rcgdiagg.f90 -o rcgdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_b0.f90 -o init_us_b0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_ps.f90 -o read_ps.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atwfc_mod.f90 -o atwfc_mod.o\nar ruv libcg.a ccgdiagg.o rcgdiagg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libcg.a\na - ccgdiagg.o\na - rcgdiagg.o\nranlib libcg.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_gamma.f90 -o paro_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c beta_mod.f90 -o beta_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c qrad_mod.f90 -o qrad_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_gamma_new.f90 -o paro_gamma_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c rhoat_mod.f90 -o rhoat_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c rhoc_mod.f90 -o rhoc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_k.f90 -o paro_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_k_new.f90 -o paro_k_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c vloc_mod.f90 -o vloc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c uspp.f90 -o uspp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcg_gamma.f90 -o pcg_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcg_k.f90 -o pcg_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c qvan2.f90 -o qvan2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c bpcg_gamma.f90 -o bpcg_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dqvan2.f90 -o dqvan2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gen_us_dj.f90 -o gen_us_dj.o\nNVFORTRAN-W-0155-Constant or Parameter used in data clause - maxter (bpcg_gamma.f90: 304)\n 0 inform, 1 warnings, 0 severes, 0 fatal for bpcg_gamma\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c bpcg_k.f90 -o bpcg_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gen_us_dy.f90 -o gen_us_dy.o\nNVFORTRAN-W-0155-Constant or Parameter used in data clause - maxter (bpcg_k.f90: 300)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_1.f90 -o init_us_1.o\n 0 inform, 1 warnings, 0 severes, 0 fatal for bpcg_k\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_2_acc.f90 -o init_us_2_acc.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o virtual_v2.x virtual_v2.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o upfconv.x upfconv.o casino_pp.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o casino2upf.x casino2upf.o casino_pp.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nar ruv libparo.a paro_gamma.o paro_gamma_new.o paro_k.o paro_k_new.o pcg_gamma.o pcg_k.o bpcg_gamma.o bpcg_k.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libparo.a\na - paro_gamma.o\na - paro_gamma_new.o\na - paro_k.o\na - paro_k_new.o\na - pcg_gamma.o\na - pcg_k.o\na - bpcg_gamma.o\na - bpcg_k.o\nranlib libparo.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../PPCG -I ../../UtilXlib -I. -c crmmdiagg.f90 -o crmmdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../PPCG -I ../../UtilXlib -I. -c rrmmdiagg.f90 -o rrmmdiagg.o\nar ruv libupf.a atwfc_mod.o beta_mod.o qrad_mod.o rhoat_mod.o rhoc_mod.o vloc_mod.o qvan2.o dqvan2.o gen_us_dj.o gen_us_dy.o init_us_0.o init_us_b0.o init_us_1.o init_us_2_acc.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libupf.a\na - atwfc_mod.o\na - beta_mod.o\na - qrad_mod.o\na - rhoat_mod.o\na - rhoc_mod.o\na - vloc_mod.o\na - qvan2.o\na - dqvan2.o\na - gen_us_dj.o\na - gen_us_dy.o\na - init_us_0.o\na - init_us_b0.o\na - init_us_1.o\na - init_us_2_acc.o\na - atom.o\na - atomic_number.o\na - dylmr2.o\na - gth.o\na - paw_variables.o\na - pseudo_types.o\na - radial_grids.o\na - read_cpmd.o\na - read_fhi.o\na - read_ncpp.o\na - read_ps.o\na - read_psml.o\na - read_upf_new.o\na - read_upf_v1.o\na - read_uspp.o\na - spinor.o\na - sph_ind.o\na - sph_bes.o\na - splinelib.o\na - simpsn.o\na - upf_auxtools.o\na - upf_const.o\na - upf_error.o\na - upf_invmat.o\na - upf_io.o\na - upf_ions.o\na - upf_kinds.o\na - upf_params.o\na - upf_parallel_include.o\na - upf_spinorb.o\na - upf_to_internal.o\na - upf_utils.o\na - uspp.o\na - uspp_param.o\na - write_upf_new.o\na - xmltools.o\na - ylmr2.o\na - ylmr2_gpu.o\na - dom.o\na - wxml.o\nranlib libupf.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/upflib'\n( cd Modules ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/Modules'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c kind.f90 -o kind.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c parameters.f90 -o parameters.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c io_global.f90 -o io_global.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_bands.f90 -o mp_bands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c noncol.f90 -o noncol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c bspline.f90 -o bspline.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fft_base.f90 -o fft_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c coulomb_vcut.f90 -o coulomb_vcut.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c environ_api_stub.f90 -o environ_api_stub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_pools.f90 -o mp_pools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qeh5_module.f90 -o qeh5_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c version.f90 -o version.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fsockets.f90 -o fsockets.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lmdif.f90 -o lmdif.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plugin_flags.f90 -o plugin_flags.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mdiis.f90 -o mdiis.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_wave.f90 -o mp_wave.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c open_close_input_file.f90 -o open_close_input_file.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plugin_arguments.f90 -o plugin_arguments.o\nar ruv librmm.a crmmdiagg.o rrmmdiagg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating librmm.a\na - crmmdiagg.o\na - rrmmdiagg.o\nranlib librmm.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_HSpsi_gamma.f90 -o rotate_HSpsi_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_HSpsi_k.f90 -o rotate_HSpsi_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_wfc_gamma.f90 -o rotate_wfc_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plugin_variables.f90 -o plugin_variables.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wypos.f90 -o wypos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c run_info.f90 -o run_info.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_wfc_k.f90 -o rotate_wfc_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c space_group.f90 -o space_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_driver.f90 -o rotate_driver.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c set_vdw_corr.f90 -o set_vdw_corr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_types_module.f90 -o qes_types_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_xpsi_k.f90 -o rotate_xpsi_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c setqf.f90 -o setqf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_xpsi_gamma.f90 -o rotate_xpsi_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c timestep.f90 -o timestep.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c gram_schmidt_gamma.f90 -o gram_schmidt_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_bcast_module.f90 -o qes_bcast_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c gram_schmidt_k.f90 -o gram_schmidt_k.o\nar ruv libdense.a rotate_HSpsi_gamma.o rotate_HSpsi_k.o rotate_wfc_gamma.o rotate_wfc_k.o rotate_driver.o rotate_xpsi_k.o rotate_xpsi_gamma.o gram_schmidt_gamma.o gram_schmidt_k.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdense.a\na - rotate_HSpsi_gamma.o\na - rotate_HSpsi_k.o\na - rotate_wfc_gamma.o\na - rotate_wfc_k.o\na - rotate_driver.o\na - rotate_xpsi_k.o\na - rotate_xpsi_gamma.o\na - gram_schmidt_gamma.o\na - gram_schmidt_k.o\nranlib libdense.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nif test -d Direct ; then \\\n ( cd Direct ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c direct_diag_k.f90 -o direct_diag_k.o\nar ruv libdirect.a direct_diag_k.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdirect.a\na - direct_diag_k.o\nranlib libdirect.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nar ruv libks_solvers.a Davidson_RCI/david_rci.o Davidson/cegterg.o Davidson/regterg.o Davidson/pcegterg.o Davidson/pregterg.o CG/ccgdiagg.o CG/rcgdiagg.o ParO/bpcg_gamma.o ParO/bpcg_k.o ParO/paro_gamma.o ParO/pcg_gamma.o ParO/paro_k.o ParO/pcg_k.o ParO/paro_gamma_new.o ParO/paro_k_new.o DENSE/rotate_HSpsi_gamma.o DENSE/rotate_HSpsi_k.o DENSE/rotate_wfc_gamma.o DENSE/rotate_wfc_k.o DENSE/rotate_driver.o DENSE/gram_schmidt_gamma.o DENSE/gram_schmidt_k.o DENSE/rotate_xpsi_gamma.o DENSE/rotate_xpsi_k.o RMM/crmmdiagg.o RMM/rrmmdiagg.o Direct/direct_diag_k.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libks_solvers.a\na - Davidson_RCI/david_rci.o\na - Davidson/cegterg.o\na - Davidson/regterg.o\na - Davidson/pcegterg.o\na - Davidson/pregterg.o\na - CG/ccgdiagg.o\na - CG/rcgdiagg.o\na - ParO/bpcg_gamma.o\na - ParO/bpcg_k.o\na - ParO/paro_gamma.o\na - ParO/pcg_gamma.o\na - ParO/paro_k.o\na - ParO/pcg_k.o\na - ParO/paro_gamma_new.o\na - ParO/paro_k_new.o\na - DENSE/rotate_HSpsi_gamma.o\na - DENSE/rotate_HSpsi_k.o\na - DENSE/rotate_wfc_gamma.o\na - DENSE/rotate_wfc_k.o\na - DENSE/rotate_driver.o\na - DENSE/gram_schmidt_gamma.o\na - DENSE/gram_schmidt_k.o\na - DENSE/rotate_xpsi_gamma.o\na - DENSE/rotate_xpsi_k.o\na - RMM/crmmdiagg.o\na - RMM/rrmmdiagg.o\na - Direct/direct_diag_k.o\nranlib libks_solvers.a\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include ks_solver_interfaces.h -o ks_solver_interfaces.fh\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_init_module.f90 -o qes_init_module.o\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_read_module.f90 -o qes_read_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_reset_module.f90 -o qes_reset_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_write_module.f90 -o qes_write_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c molecule_types.f90 -o molecule_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wyckoff.f90 -o wyckoff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c zvscal.f90 -o zvscal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wave_gauge.f90 -o wave_gauge.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c atom_weight.f90 -o atom_weight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c cryst_to_car.f90 -o cryst_to_car.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c expint.f90 -o expint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c generate_k_along_lines.f90 -o generate_k_along_lines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c has_xml.f90 -o has_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c inpfile.f90 -o inpfile.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c int_to_char.f90 -o int_to_char.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c linpack.f90 -o linpack.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plot_io.f90 -o plot_io.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c radial_gradients.f90 -o radial_gradients.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rgen.f90 -o rgen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c recips.f90 -o recips.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c remove_tot_torque.f90 -o remove_tot_torque.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c sort.f90 -o sort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c trimcheck.f90 -o trimcheck.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c date_and_tim.f90 -o date_and_tim.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c volume.f90 -o volume.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c deviatoric.f90 -o deviatoric.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c customize_signals.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c qmmm_aux.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c sockets.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_rism.f90 -o mp_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c err_rism.f90 -o err_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvmol.f90 -o solvmol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c cryst_to_car_2d.f90 -o cryst_to_car_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lj_forcefield.f90 -o lj_forcefield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_swap_ax_rism.f90 -o mp_swap_ax_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plot_rism.f90 -o plot_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rms_residual.f90 -o rms_residual.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c constants.f90 -o constants.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c control_flags.f90 -o control_flags.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c invmat.f90 -o invmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wannier_new.f90 -o wannier_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_images.f90 -o mp_images.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c recvec.f90 -o recvec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_world.f90 -o mp_world.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c random_numbers.f90 -o random_numbers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c cell_nose.f90 -o cell_nose.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c basic_algebra_routines.f90 -o basic_algebra_routines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c io_files.f90 -o io_files.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c bz_form.f90 -o bz_form.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c set_signal.f90 -o set_signal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c command_line_options.f90 -o command_line_options.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c electrons_base.f90 -o electrons_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fox_init_module.f90 -o fox_init_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fft_rho.f90 -o fft_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fft_wave.f90 -o fft_wave.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c gvecw.f90 -o gvecw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_exx.f90 -o mp_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_global.f90 -o mp_global.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c printout_base.f90 -o printout_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c pw_dot.f90 -o pw_dot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c recvec_subs.f90 -o recvec_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c set_para_diag.f90 -o set_para_diag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c copy_order_um_from_xml.f90 -o copy_order_um_from_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wavefunctions.f90 -o wavefunctions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c ws_base.f90 -o ws_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c io_base.f90 -o io_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_libs_module.f90 -o qes_libs_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qexsd_input.f90 -o qexsd_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qexsd_copy.f90 -o qexsd_copy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c hdf5_qe.f90 -o hdf5_qe.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c xsf.f90 -o xsf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c random_numbers_gpu.f90 -o random_numbers_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c latgen.f90 -o latgen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wgauss.f90 -o wgauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c w0gauss.f90 -o w0gauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c w1gauss.f90 -o w1gauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lauefft.f90 -o lauefft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c radfft.f90 -o radfft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c molecule_const.f90 -o molecule_const.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c suscept_g0.f90 -o suscept_g0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c cell_base.f90 -o cell_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c input_parameters.f90 -o input_parameters.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c parser.f90 -o parser.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c ions_base.f90 -o ions_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c becmod.f90 -o becmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c bfgs_module.f90 -o bfgs_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c check_stop.f90 -o check_stop.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c compute_dipole.f90 -o compute_dipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c environment.f90 -o environment.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c extffield.f90 -o extffield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fd_gradient.f90 -o fd_gradient.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c xc_rVV10.f90 -o xc_rVV10.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c xc_vdW_DF.f90 -o xc_vdW_DF.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c generate_function.f90 -o generate_function.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c gradutils.f90 -o gradutils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c makov_payne.f90 -o makov_payne.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mm_dispersion.f90 -o mm_dispersion.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qmmm.f90 -o qmmm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_namelists.f90 -o read_namelists.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c tsvdw.f90 -o tsvdw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wannier_gw.f90 -o wannier_gw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qexsd_init.f90 -o qexsd_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c recvec_3drism.f90 -o recvec_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c xml_io_rism.f90 -o xml_io_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_mol.f90 -o read_mol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lauefft_subs.f90 -o lauefft_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvavg.f90 -o solvavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c scale_fft_3drism.f90 -o scale_fft_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c scale_fft_lauerism.f90 -o scale_fft_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c additional_kpoints.f90 -o additional_kpoints.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c atomic_wfc_mod.f90 -o atomic_wfc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c autopilot.f90 -o autopilot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c ions_nose.f90 -o ions_nose.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c constraints_module.f90 -o constraints_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c dist.f90 -o dist.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c environ_base_module.f90 -o environ_base_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c funct.f90 -o funct.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_cards.f90 -o read_cards.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c allocate_fft_3drism.f90 -o allocate_fft_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rism.f90 -o rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c data_structure_3drism.f90 -o data_structure_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_solv.f90 -o read_solv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_pseudo.f90 -o read_pseudo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mbdlib.f90 -o mbdlib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qexsd.f90 -o qexsd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c chempot.f90 -o chempot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c chempot_lauerism.f90 -o chempot_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c closure.f90 -o closure.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c corrdipole_laue.f90 -o corrdipole_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c correctat0_vv.f90 -o correctat0_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c corrgxy0_laue.f90 -o corrgxy0_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c do_1drism.f90 -o do_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c do_3drism.f90 -o do_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c do_lauerism.f90 -o do_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_1drism.f90 -o eqn_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_3drism.f90 -o eqn_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauedipole.f90 -o eqn_lauedipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauegxy0.f90 -o eqn_lauegxy0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauelong.f90 -o eqn_lauelong.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauerism.f90 -o eqn_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_laueshort.f90 -o eqn_laueshort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauevoid.f90 -o eqn_lauevoid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c guess_3drism.f90 -o guess_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c init_1drism.f90 -o init_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c io_rism_xml.f90 -o io_rism_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solute.f90 -o solute.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c molecorr_vv.f90 -o molecorr_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c molebridge_vv.f90 -o molebridge_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c normalize_lauerism.f90 -o normalize_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c potential_3drism.f90 -o potential_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c potential_esm.f90 -o potential_esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c potential_vv.f90 -o potential_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_chempot_3drism.f90 -o print_chempot_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_chempot_lauerism.f90 -o print_chempot_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_chempot_vv.f90 -o print_chempot_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_corr_vv.f90 -o print_corr_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_3drism.f90 -o solvation_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_force.f90 -o solvation_force.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_lauerism.f90 -o solvation_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_pbc.f90 -o solvation_pbc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_stress.f90 -o solvation_stress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c suscept_laue.f90 -o suscept_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c suscept_laueint.f90 -o suscept_laueint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c suscept_vv.f90 -o suscept_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c write_rism_type.f90 -o write_rism_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_input.f90 -o read_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rism1d_facade.f90 -o rism1d_facade.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rism3d_facade.f90 -o rism3d_facade.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lj_solute.f90 -o lj_solute.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c init_3drism.f90 -o init_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c input_1drism.f90 -o input_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_solvavg.f90 -o print_solvavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_esm.f90 -o solvation_esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c summary_1drism.f90 -o summary_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c summary_3drism.f90 -o summary_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c input_3drism.f90 -o input_3drism.o\nar ruv libqemod.a additional_kpoints.o atomic_wfc_mod.o autopilot.o ions_nose.o cell_nose.o basic_algebra_routines.o becmod.o bfgs_module.o bspline.o bz_form.o cell_base.o check_stop.o command_line_options.o compute_dipole.o constants.o constraints_module.o control_flags.o coulomb_vcut.o dist.o electrons_base.o environ_base_module.o environment.o extffield.o fd_gradient.o fft_base.o fft_rho.o fft_wave.o fsockets.o funct.o generate_function.o gradutils.o gvecw.o input_parameters.o invmat.o io_files.o io_global.o ions_base.o kind.o lmdif.o makov_payne.o mdiis.o mm_dispersion.o mp_bands.o mp_exx.o mp_global.o mp_images.o mp_pools.o mp_wave.o mp_world.o noncol.o open_close_input_file.o parameters.o parser.o plugin_flags.o plugin_arguments.o plugin_variables.o printout_base.o pw_dot.o qmmm.o random_numbers.o read_cards.o read_input.o read_namelists.o read_pseudo.o recvec.o recvec_subs.o run_info.o space_group.o set_para_diag.o set_signal.o set_vdw_corr.o copy_order_um_from_xml.o setqf.o timestep.o tsvdw.o mbdlib.o version.o wannier_gw.o wannier_new.o wavefunctions.o ws_base.o xc_vdW_DF.o xc_rVV10.o io_base.o qes_types_module.o qes_libs_module.o qes_write_module.o qes_read_module.o qes_reset_module.o qes_init_module.o qes_bcast_module.o qexsd.o qexsd_copy.o qexsd_init.o qexsd_input.o hdf5_qe.o qeh5_module.o fox_init_module.o xsf.o wyckoff.o wypos.o zvscal.o wave_gauge.o random_numbers_gpu.o atom_weight.o cryst_to_car.o expint.o generate_k_along_lines.o has_xml.o inpfile.o int_to_char.o latgen.o linpack.o plot_io.o radial_gradients.o rgen.o recips.o remove_tot_torque.o sort.o trimcheck.o date_and_tim.o volume.o wgauss.o w0gauss.o w1gauss.o deviatoric.o customize_signals.o qmmm_aux.o sockets.o allocate_fft_3drism.o chempot.o chempot_lauerism.o closure.o corrdipole_laue.o correctat0_vv.o corrgxy0_laue.o cryst_to_car_2d.o data_structure_3drism.o do_1drism.o do_3drism.o do_lauerism.o eqn_1drism.o eqn_3drism.o eqn_lauedipole.o eqn_lauegxy0.o eqn_lauelong.o eqn_lauerism.o eqn_laueshort.o eqn_lauevoid.o err_rism.o guess_3drism.o init_1drism.o init_3drism.o input_1drism.o input_3drism.o io_rism_xml.o lauefft.o lauefft_subs.o lj_forcefield.o lj_solute.o molecorr_vv.o molebridge_vv.o molecule_const.o molecule_types.o mp_rism.o mp_swap_ax_rism.o normalize_lauerism.o plot_rism.o potential_3drism.o potential_esm.o potential_vv.o print_chempot_3drism.o print_chempot_lauerism.o print_chempot_vv.o print_corr_vv.o print_solvavg.o radfft.o read_mol.o read_solv.o recvec_3drism.o rism.o rism1d_facade.o rism3d_facade.o rms_residual.o scale_fft_3drism.o scale_fft_lauerism.o solute.o solvation_3drism.o solvation_esm.o solvation_force.o solvation_lauerism.o solvation_pbc.o solvation_stress.o solvavg.o solvmol.o summary_1drism.o summary_3drism.o suscept_g0.o suscept_laue.o suscept_laueint.o suscept_vv.o write_rism_type.o xml_io_rism.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqemod.a\na - additional_kpoints.o\na - atomic_wfc_mod.o\na - autopilot.o\na - ions_nose.o\na - cell_nose.o\na - basic_algebra_routines.o\na - becmod.o\na - bfgs_module.o\na - bspline.o\na - bz_form.o\na - cell_base.o\na - check_stop.o\na - command_line_options.o\na - compute_dipole.o\na - constants.o\na - constraints_module.o\na - control_flags.o\na - coulomb_vcut.o\na - dist.o\na - electrons_base.o\na - environ_base_module.o\na - environment.o\na - extffield.o\na - fd_gradient.o\na - fft_base.o\na - fft_rho.o\na - fft_wave.o\na - fsockets.o\na - funct.o\na - generate_function.o\na - gradutils.o\na - gvecw.o\na - input_parameters.o\na - invmat.o\na - io_files.o\na - io_global.o\na - ions_base.o\na - kind.o\na - lmdif.o\na - makov_payne.o\na - mdiis.o\na - mm_dispersion.o\na - mp_bands.o\na - mp_exx.o\na - mp_global.o\na - mp_images.o\na - mp_pools.o\na - mp_wave.o\na - mp_world.o\na - noncol.o\na - open_close_input_file.o\na - parameters.o\na - parser.o\na - plugin_flags.o\na - plugin_arguments.o\na - plugin_variables.o\na - printout_base.o\na - pw_dot.o\na - qmmm.o\na - random_numbers.o\na - read_cards.o\na - read_input.o\na - read_namelists.o\na - read_pseudo.o\na - recvec.o\na - recvec_subs.o\na - run_info.o\na - space_group.o\na - set_para_diag.o\na - set_signal.o\na - set_vdw_corr.o\na - copy_order_um_from_xml.o\na - setqf.o\na - timestep.o\na - tsvdw.o\na - mbdlib.o\na - version.o\na - wannier_gw.o\na - wannier_new.o\na - wavefunctions.o\na - ws_base.o\na - xc_vdW_DF.o\na - xc_rVV10.o\na - io_base.o\na - qes_types_module.o\na - qes_libs_module.o\na - qes_write_module.o\na - qes_read_module.o\na - qes_reset_module.o\na - qes_init_module.o\na - qes_bcast_module.o\na - qexsd.o\na - qexsd_copy.o\na - qexsd_init.o\na - qexsd_input.o\na - hdf5_qe.o\na - qeh5_module.o\na - fox_init_module.o\na - xsf.o\na - wyckoff.o\na - wypos.o\na - zvscal.o\na - wave_gauge.o\na - random_numbers_gpu.o\na - atom_weight.o\na - cryst_to_car.o\na - expint.o\na - generate_k_along_lines.o\na - has_xml.o\na - inpfile.o\na - int_to_char.o\na - latgen.o\na - linpack.o\na - plot_io.o\na - radial_gradients.o\na - rgen.o\na - recips.o\na - remove_tot_torque.o\na - sort.o\na - trimcheck.o\na - date_and_tim.o\na - volume.o\na - wgauss.o\na - w0gauss.o\na - w1gauss.o\na - deviatoric.o\na - customize_signals.o\na - qmmm_aux.o\na - sockets.o\na - allocate_fft_3drism.o\na - chempot.o\na - chempot_lauerism.o\na - closure.o\na - corrdipole_laue.o\na - correctat0_vv.o\na - corrgxy0_laue.o\na - cryst_to_car_2d.o\na - data_structure_3drism.o\na - do_1drism.o\na - do_3drism.o\na - do_lauerism.o\na - eqn_1drism.o\na - eqn_3drism.o\na - eqn_lauedipole.o\na - eqn_lauegxy0.o\na - eqn_lauelong.o\na - eqn_lauerism.o\na - eqn_laueshort.o\na - eqn_lauevoid.o\na - err_rism.o\na - guess_3drism.o\na - init_1drism.o\na - init_3drism.o\na - input_1drism.o\na - input_3drism.o\na - io_rism_xml.o\na - lauefft.o\na - lauefft_subs.o\na - lj_forcefield.o\na - lj_solute.o\na - molecorr_vv.o\na - molebridge_vv.o\na - molecule_const.o\na - molecule_types.o\na - mp_rism.o\na - mp_swap_ax_rism.o\na - normalize_lauerism.o\na - plot_rism.o\na - potential_3drism.o\na - potential_esm.o\na - potential_vv.o\na - print_chempot_3drism.o\na - print_chempot_lauerism.o\na - print_chempot_vv.o\na - print_corr_vv.o\na - print_solvavg.o\na - radfft.o\na - read_mol.o\na - read_solv.o\na - recvec_3drism.o\na - rism.o\na - rism1d_facade.o\na - rism3d_facade.o\na - rms_residual.o\na - scale_fft_3drism.o\na - scale_fft_lauerism.o\na - solute.o\na - solvation_3drism.o\na - solvation_esm.o\na - solvation_force.o\na - solvation_lauerism.o\na - solvation_pbc.o\na - solvation_stress.o\na - solvavg.o\na - solvmol.o\na - summary_1drism.o\na - summary_3drism.o\na - suscept_g0.o\na - suscept_laue.o\na - suscept_laueint.o\na - suscept_vv.o\na - write_rism_type.o\na - xml_io_rism.o\nranlib libqemod.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/Modules'\n( cd dft-d3 ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c common.f90 -o common.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c sizes.f90 -o sizes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c pars.f90 -o pars.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c core.f90 -o core.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c api.f90 -o api.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c dftd3_qe.f90 -o dftd3_qe.o\nar ruv libdftd3qe.a common.o sizes.o pars.o core.o api.o dftd3_qe.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdftd3qe.a\na - common.o\na - sizes.o\na - pars.o\na - core.o\na - api.o\na - dftd3_qe.o\nranlib libdftd3qe.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nif test -d PW ; then \\\n( cd PW ; make pwlibs || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pwcom.f90 -o pwcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c start_k.f90 -o start_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c symm_base.f90 -o symm_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c extfield.f90 -o extfield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_enums.f90 -o oscdft_enums.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_indices.f90 -o oscdft_indices.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c buffers.f90 -o buffers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c atomic_wfc_mod.f90 -o atomic_wfc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_us_2.f90 -o init_us_2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c allocate_locpot.f90 -o allocate_locpot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c allocate_wfc.f90 -o allocate_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c starting_scf_mod.f90 -o starting_scf_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c atomic_wfc.f90 -o atomic_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c acfdt_in_pw.f90 -o acfdt_in_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c bp_mod.f90 -o bp_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c bp_strings.f90 -o bp_strings.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c Coul_cut_2D.f90 -o Coul_cut_2D.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx_bp_utils.f90 -o exx_bp_utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c paw_onecenter.f90 -o paw_onecenter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c dynamics_module.f90 -o dynamics_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_dynamics.f90 -o fcp_dynamics.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_relaxation.f90 -o fcp_relaxation.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c martyna_tuckerman.f90 -o martyna_tuckerman.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c tetra.f90 -o tetra.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c two_chem.f90 -o two_chem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c g_psi_mod.f90 -o g_psi_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c c_phase_field.f90 -o c_phase_field.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c cdiagh.f90 -o cdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c paw_symmetry.f90 -o paw_symmetry.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c symme.f90 -o symme.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_deff.f90 -o compute_deff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_dip.f90 -o compute_dip.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_rho.f90 -o compute_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_qdipol.f90 -o compute_qdipol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_qdipol_so.f90 -o compute_qdipol_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_ux.f90 -o compute_ux.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c d_matrix.f90 -o d_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c divide_class.f90 -o divide_class.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c divide_class_so.f90 -o divide_class_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c divide_et_impera.f90 -o divide_et_impera.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c rotate_wfc.f90 -o rotate_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c efermig.f90 -o efermig.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c efermit.f90 -o efermit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c environ_io_stub.f90 -o environ_io_stub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c eqvect.f90 -o eqvect.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ewald.f90 -o ewald.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ewald_dipole.f90 -o ewald_dipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_dyn_calcavg.f90 -o fcp_dyn_calcavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_dyn_printavg.f90 -o fcp_dyn_printavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_hessian.f90 -o fcp_hessian.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c find_group.f90 -o find_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c forces_bp_efield.f90 -o forces_bp_efield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_ew.f90 -o force_ew.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c g_psi.f90 -o g_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gen_at_dj.f90 -o gen_at_dj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gen_at_dy.f90 -o gen_at_dy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c get_locals.f90 -o get_locals.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gk_sort.f90 -o gk_sort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gradcorr.f90 -o gradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gweights.f90 -o gweights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c g2_kin.f90 -o g2_kin.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hs_psi.f90 -o hs_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c h_epsi_her_apply.f90 -o h_epsi_her_apply.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c h_epsi_her_set.f90 -o h_epsi_her_set.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c irreducible_BZ.f90 -o irreducible_BZ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c iweights.f90 -o iweights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c kpoint_grid.f90 -o kpoint_grid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c lchk_tauxk.f90 -o lchk_tauxk.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c make_pointlists.f90 -o make_pointlists.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c manypw.f90 -o manypw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c multable.f90 -o multable.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c n_plane_waves.f90 -o n_plane_waves.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c new_occ.f90 -o new_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c orthoatwfc.f90 -o orthoatwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c output_tau.f90 -o output_tau.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c para.f90 -o para.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_print_energies.f90 -o plugin_print_energies.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_init_ions.f90 -o plugin_init_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_init_cell.f90 -o plugin_init_cell.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_init_potential.f90 -o plugin_init_potential.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_initbase.f90 -o plugin_initbase.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_clean.f90 -o plugin_clean.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_check.f90 -o plugin_check.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_clock.f90 -o plugin_clock.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_summary.f90 -o plugin_summary.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_initialization.f90 -o plugin_initialization.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_ext_forces.f90 -o plugin_ext_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_int_forces.f90 -o plugin_int_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_read_input.f90 -o plugin_read_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw_init_qexsd_input.f90 -o pw_init_qexsd_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw2blip.f90 -o pw2blip.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw2casino.f90 -o pw2casino.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c rdiagh.f90 -o rdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c read_conf_from_file.f90 -o read_conf_from_file.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c rho2zeta.f90 -o rho2zeta.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ruotaijk.f90 -o ruotaijk.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c save_in_cbands.f90 -o save_in_cbands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_kplusq.f90 -o set_kplusq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_kup_and_kdw.f90 -o set_kup_and_kdw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_occupations.f90 -o set_occupations.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_spin_vars.f90 -o set_spin_vars.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_vrs.f90 -o set_vrs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stop_run.f90 -o stop_run.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_ewa.f90 -o stres_ewa.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_knl.f90 -o stres_knl.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_us.f90 -o stres_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_nonloc_dft.f90 -o stres_nonloc_dft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c struct_fact.f90 -o struct_fact.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c sumkg.f90 -o sumkg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c sumkt.f90 -o sumkt.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c symmetrize_at.f90 -o symmetrize_at.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c transform_becsum_so.f90 -o transform_becsum_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c transform_becsum_nc.f90 -o transform_becsum_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c trnvecc.f90 -o trnvecc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vcsmd.f90 -o vcsmd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vcsubs.f90 -o vcsubs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vloc_psi_tg.f90 -o vloc_psi_tg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vloc_psi_acc.f90 -o vloc_psi_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c utils.f90 -o utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wsweight.f90 -o wsweight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ortho_wfc.f90 -o ortho_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wannier_init.f90 -o wannier_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wannier_check.f90 -o wannier_check.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wannier_occ.f90 -o wannier_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c d3hess_mod.f90 -o d3hess_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c utils_gpu.f90 -o utils_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c a2fmod.f90 -o a2fmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_bfield.f90 -o add_bfield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_efield.f90 -o add_efield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_dmft_occ.f90 -o add_dmft_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_vuspsi.f90 -o add_vuspsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_vuspsi_acc.f90 -o add_vuspsi_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_gatefield.f90 -o add_gatefield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_paw_to_deeq.f90 -o add_paw_to_deeq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_paw_to_deeq_acc.f90 -o add_paw_to_deeq_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_wavefunction.f90 -o oscdft_wavefunction.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_input.f90 -o oscdft_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c atomic_rho.f90 -o atomic_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c bp_c_phase.f90 -o bp_c_phase.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx_base.f90 -o exx_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c paw_exx.f90 -o paw_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_us.f90 -o force_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c print_ks_energies.f90 -o print_ks_energies.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c save_in_electrons.f90 -o save_in_electrons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_forces.f90 -o oscdft_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_common_mod.f90 -o esm_common_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_context.f90 -o oscdft_context.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_base.f90 -o oscdft_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_wavefunction_subs.f90 -o oscdft_wavefunction_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_occupations.f90 -o oscdft_occupations.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_wfcO.f90 -o oscdft_wfcO.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_functions_gpu.f90 -o oscdft_functions_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_functions.f90 -o oscdft_functions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_forces_subs.f90 -o oscdft_forces_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ldaU.f90 -o ldaU.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c restart_in_electrons.f90 -o restart_in_electrons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c scf_mod.f90 -o scf_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c average_pp.f90 -o average_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c close_files.f90 -o close_files.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c commutator_Hx_psi.f90 -o commutator_Hx_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hubbard.f90 -o hubbard.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_q_aeps.f90 -o init_q_aeps.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c intersite_V.f90 -o intersite_V.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c new_nsb.f90 -o new_nsb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c new_nsg.f90 -o new_nsg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ns_adj.f90 -o ns_adj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c offset_atom_wfc.f90 -o offset_atom_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c openfil.f90 -o openfil.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c orthoUwfc.f90 -o orthoUwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_scf_energy.f90 -o plugin_scf_energy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_scf_potential.f90 -o plugin_scf_potential.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plus_u_full.f90 -o plus_u_full.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c remove_atomic_rho.f90 -o remove_atomic_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c report_mag.f90 -o report_mag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_rhoc.f90 -o set_rhoc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_cc.f90 -o stres_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_gradcorr.f90 -o stres_gradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_har.f90 -o stres_har.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_hub.f90 -o stres_hub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_mgga.f90 -o stres_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c usnldiag.f90 -o usnldiag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c v_hubbard.f90 -o v_hubbard.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vhpsi.f90 -o vhpsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vhpsi_U.f90 -o vhpsi_U.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c write_ns.f90 -o write_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wannier_clean.f90 -o wannier_clean.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_extended.f90 -o oscdft_extended.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_vhub_to_deeq.f90 -o add_vhub_to_deeq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_vhub_to_deeq_acc.f90 -o add_vhub_to_deeq_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c realus.f90 -o realus.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c allocate_fft.f90 -o allocate_fft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c beef.f90 -o beef.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_ewald_mod.f90 -o esm_ewald_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_force_mod.f90 -o esm_force_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_hartree_mod.f90 -o esm_hartree_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_local_mod.f90 -o esm_local_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_stres_mod.f90 -o esm_stres_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c xdm_dispersion.f90 -o xdm_dispersion.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c sic.f90 -o sic.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c orbm_kubo.f90 -o orbm_kubo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c paw_init.f90 -o paw_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c commutator_Vhubx_psi.f90 -o commutator_Vhubx_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c data_structure.f90 -o data_structure.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c update_pot.f90 -o update_pot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c io_rho_xml.f90 -o io_rho_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c printpot.f90 -o printpot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_cc.f90 -o force_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_corr.f90 -o force_corr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_hub.f90 -o force_hub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hs_1psi.f90 -o hs_1psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c h_psi_meta.f90 -o h_psi_meta.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hinit0.f90 -o hinit0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_ns.f90 -o init_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_nsg.f90 -o init_nsg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c new_ns.f90 -o new_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c s_1psi.f90 -o s_1psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c s_psi.f90 -o s_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c addusdens.f90 -o addusdens.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c addusforce.f90 -o addusforce.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c addusstress.f90 -o addusstress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c newd_acc.f90 -o newd_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm.f90 -o esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c us_exx.f90 -o us_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c scissor.f90 -o scissor.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c run_driver.f90 -o run_driver.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c environ_pw_module.f90 -o environ_pw_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_capacitance.f90 -o fcp_capacitance.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_lc.f90 -o force_lc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_vloc.f90 -o init_vloc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_loc.f90 -o stres_loc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c v_of_rho.f90 -o v_of_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx_bp.f90 -o exx_bp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx_std.f90 -o exx_std.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c rism_module.f90 -o rism_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_becsum.f90 -o compute_becsum.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_module.f90 -o fcp_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c forces.f90 -o forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_run.f90 -o init_run.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c potinit.f90 -o potinit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c print_clock_pw.f90 -o print_clock_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_qexsd_step.f90 -o add_qexsd_step.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c setlocal.f90 -o setlocal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gcscf_module.f90 -o gcscf_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_input.f90 -o fcp_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c move_ions.f90 -o move_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c mix_rho.f90 -o mix_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gcscf_input.f90 -o gcscf_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c sum_band.f90 -o sum_band.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c weights.f90 -o weights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx.f90 -o exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hinit1.f90 -o hinit1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw_restart_new.f90 -o pw_restart_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c clean_pw.f90 -o clean_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c loc_scdm.f90 -o loc_scdm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c h_psi.f90 -o h_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c memory_report.f90 -o memory_report.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c non_scf.f90 -o non_scf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw2casino_write.f90 -o pw2casino_write.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c run_pwscf.f90 -o run_pwscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c scale_h.f90 -o scale_h.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stress.f90 -o stress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c summary.f90 -o summary.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c loc_scdm_k.f90 -o loc_scdm_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c input.f90 -o input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c punch.f90 -o punch.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c read_file_new.f90 -o read_file_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wfcinit.f90 -o wfcinit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c diag_direct.f90 -o diag_direct.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c electrons.f90 -o electrons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c c_bands.f90 -o c_bands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c setup.f90 -o setup.o\nar ruv libpw.a a2fmod.o add_bfield.o add_efield.o add_dmft_occ.o add_vuspsi.o add_vuspsi_acc.o add_gatefield.o add_paw_to_deeq.o add_paw_to_deeq_acc.o add_vhub_to_deeq.o add_vhub_to_deeq_acc.o addusdens.o addusforce.o addusstress.o allocate_fft.o allocate_locpot.o allocate_wfc.o atomic_rho.o atomic_wfc.o atomic_wfc_mod.o average_pp.o acfdt_in_pw.o newd_acc.o beef.o bp_mod.o bp_c_phase.o bp_strings.o buffers.o c_bands.o c_phase_field.o orbm_kubo.o cdiagh.o clean_pw.o close_files.o commutator_Hx_psi.o commutator_Vhubx_psi.o compute_becsum.o compute_deff.o compute_dip.o compute_rho.o compute_qdipol.o compute_qdipol_so.o compute_ux.o Coul_cut_2D.o d_matrix.o data_structure.o diag_direct.o divide_class.o divide_class_so.o divide_et_impera.o rotate_wfc.o run_driver.o dynamics_module.o efermig.o efermit.o electrons.o environ_pw_module.o eqvect.o esm.o esm_common_mod.o esm_ewald_mod.o esm_force_mod.o esm_hartree_mod.o esm_local_mod.o esm_stres_mod.o ewald.o ewald_dipole.o extfield.o exx_base.o exx.o exx_std.o exx_bp_utils.o exx_bp.o fcp_capacitance.o fcp_dyn_calcavg.o fcp_dyn_printavg.o fcp_dynamics.o fcp_hessian.o fcp_input.o fcp_module.o fcp_relaxation.o find_group.o forces_bp_efield.o force_cc.o force_corr.o force_ew.o force_hub.o force_lc.o force_us.o forces.o g_psi.o g_psi_mod.o gcscf_input.o gcscf_module.o gen_at_dj.o gen_at_dy.o get_locals.o gk_sort.o gradcorr.o gweights.o g2_kin.o hs_psi.o hs_1psi.o h_epsi_her_apply.o h_epsi_her_set.o h_psi.o h_psi_meta.o hinit0.o hinit1.o hubbard.o init_ns.o init_q_aeps.o init_run.o init_us_2.o init_vloc.o input.o io_rho_xml.o irreducible_BZ.o iweights.o intersite_V.o init_nsg.o start_k.o kpoint_grid.o lchk_tauxk.o ldaU.o make_pointlists.o manypw.o martyna_tuckerman.o memory_report.o mix_rho.o move_ions.o multable.o n_plane_waves.o new_ns.o new_nsb.o new_nsg.o new_occ.o ns_adj.o non_scf.o offset_atom_wfc.o openfil.o orthoatwfc.o orthoUwfc.o output_tau.o para.o paw_exx.o paw_init.o paw_onecenter.o paw_symmetry.o plugin_print_energies.o plugin_scf_energy.o plugin_scf_potential.o plugin_init_ions.o plugin_init_cell.o plugin_init_potential.o plugin_initbase.o plugin_clean.o plugin_check.o plugin_clock.o plugin_summary.o plugin_initialization.o plugin_ext_forces.o plugin_int_forces.o plugin_read_input.o plus_u_full.o potinit.o print_clock_pw.o print_ks_energies.o printpot.o punch.o pw_restart_new.o add_qexsd_step.o pw_init_qexsd_input.o pwcom.o pw2blip.o pw2casino.o pw2casino_write.o rdiagh.o read_conf_from_file.o read_file_new.o realus.o remove_atomic_rho.o report_mag.o restart_in_electrons.o rho2zeta.o rism_module.o ruotaijk.o run_pwscf.o s_1psi.o s_psi.o save_in_cbands.o save_in_electrons.o scale_h.o loc_scdm.o loc_scdm_k.o scf_mod.o set_kplusq.o set_kup_and_kdw.o set_occupations.o set_rhoc.o set_spin_vars.o set_vrs.o setlocal.o setup.o scissor.o sic.o starting_scf_mod.o stop_run.o stres_cc.o stres_ewa.o stres_gradcorr.o stres_har.o stres_hub.o stres_knl.o stres_loc.o stres_us.o stres_nonloc_dft.o stres_mgga.o stress.o struct_fact.o sum_band.o sumkg.o sumkt.o summary.o symme.o symm_base.o symmetrize_at.o tetra.o transform_becsum_so.o transform_becsum_nc.o trnvecc.o two_chem.o update_pot.o us_exx.o usnldiag.o v_hubbard.o v_of_rho.o vcsmd.o vcsubs.o vhpsi.o vhpsi_U.o vloc_psi_tg.o vloc_psi_acc.o utils.o xdm_dispersion.o wfcinit.o write_ns.o wsweight.o weights.o ortho_wfc.o wannier_init.o wannier_check.o wannier_clean.o wannier_occ.o oscdft_input.o oscdft_context.o oscdft_base.o oscdft_enums.o oscdft_indices.o oscdft_wavefunction.o oscdft_wavefunction_subs.o oscdft_functions.o oscdft_occupations.o oscdft_wfcO.o oscdft_forces.o oscdft_forces_subs.o oscdft_extended.o d3hess_mod.o utils_gpu.o oscdft_functions_gpu.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libpw.a\na - a2fmod.o\na - add_bfield.o\na - add_efield.o\na - add_dmft_occ.o\na - add_vuspsi.o\na - add_vuspsi_acc.o\na - add_gatefield.o\na - add_paw_to_deeq.o\na - add_paw_to_deeq_acc.o\na - add_vhub_to_deeq.o\na - add_vhub_to_deeq_acc.o\na - addusdens.o\na - addusforce.o\na - addusstress.o\na - allocate_fft.o\na - allocate_locpot.o\na - allocate_wfc.o\na - atomic_rho.o\na - atomic_wfc.o\na - atomic_wfc_mod.o\na - average_pp.o\na - acfdt_in_pw.o\na - newd_acc.o\na - beef.o\na - bp_mod.o\na - bp_c_phase.o\na - bp_strings.o\na - buffers.o\na - c_bands.o\na - c_phase_field.o\na - orbm_kubo.o\na - cdiagh.o\na - clean_pw.o\na - close_files.o\na - commutator_Hx_psi.o\na - commutator_Vhubx_psi.o\na - compute_becsum.o\na - compute_deff.o\na - compute_dip.o\na - compute_rho.o\na - compute_qdipol.o\na - compute_qdipol_so.o\na - compute_ux.o\na - Coul_cut_2D.o\na - d_matrix.o\na - data_structure.o\na - diag_direct.o\na - divide_class.o\na - divide_class_so.o\na - divide_et_impera.o\na - rotate_wfc.o\na - run_driver.o\na - dynamics_module.o\na - efermig.o\na - efermit.o\na - electrons.o\na - environ_pw_module.o\na - eqvect.o\na - esm.o\na - esm_common_mod.o\na - esm_ewald_mod.o\na - esm_force_mod.o\na - esm_hartree_mod.o\na - esm_local_mod.o\na - esm_stres_mod.o\na - ewald.o\na - ewald_dipole.o\na - extfield.o\na - exx_base.o\na - exx.o\na - exx_std.o\na - exx_bp_utils.o\na - exx_bp.o\na - fcp_capacitance.o\na - fcp_dyn_calcavg.o\na - fcp_dyn_printavg.o\na - fcp_dynamics.o\na - fcp_hessian.o\na - fcp_input.o\na - fcp_module.o\na - fcp_relaxation.o\na - find_group.o\na - forces_bp_efield.o\na - force_cc.o\na - force_corr.o\na - force_ew.o\na - force_hub.o\na - force_lc.o\na - force_us.o\na - forces.o\na - g_psi.o\na - g_psi_mod.o\na - gcscf_input.o\na - gcscf_module.o\na - gen_at_dj.o\na - gen_at_dy.o\na - get_locals.o\na - gk_sort.o\na - gradcorr.o\na - gweights.o\na - g2_kin.o\na - hs_psi.o\na - hs_1psi.o\na - h_epsi_her_apply.o\na - h_epsi_her_set.o\na - h_psi.o\na - h_psi_meta.o\na - hinit0.o\na - hinit1.o\na - hubbard.o\na - init_ns.o\na - init_q_aeps.o\na - init_run.o\na - init_us_2.o\na - init_vloc.o\na - input.o\na - io_rho_xml.o\na - irreducible_BZ.o\na - iweights.o\na - intersite_V.o\na - init_nsg.o\na - start_k.o\na - kpoint_grid.o\na - lchk_tauxk.o\na - ldaU.o\na - make_pointlists.o\na - manypw.o\na - martyna_tuckerman.o\na - memory_report.o\na - mix_rho.o\na - move_ions.o\na - multable.o\na - n_plane_waves.o\na - new_ns.o\na - new_nsb.o\na - new_nsg.o\na - new_occ.o\na - ns_adj.o\na - non_scf.o\na - offset_atom_wfc.o\na - openfil.o\na - orthoatwfc.o\na - orthoUwfc.o\na - output_tau.o\na - para.o\na - paw_exx.o\na - paw_init.o\na - paw_onecenter.o\na - paw_symmetry.o\na - plugin_print_energies.o\na - plugin_scf_energy.o\na - plugin_scf_potential.o\na - plugin_init_ions.o\na - plugin_init_cell.o\na - plugin_init_potential.o\na - plugin_initbase.o\na - plugin_clean.o\na - plugin_check.o\na - plugin_clock.o\na - plugin_summary.o\na - plugin_initialization.o\na - plugin_ext_forces.o\na - plugin_int_forces.o\na - plugin_read_input.o\na - plus_u_full.o\na - potinit.o\na - print_clock_pw.o\na - print_ks_energies.o\na - printpot.o\na - punch.o\na - pw_restart_new.o\na - add_qexsd_step.o\na - pw_init_qexsd_input.o\na - pwcom.o\na - pw2blip.o\na - pw2casino.o\na - pw2casino_write.o\na - rdiagh.o\na - read_conf_from_file.o\na - read_file_new.o\na - realus.o\na - remove_atomic_rho.o\na - report_mag.o\na - restart_in_electrons.o\na - rho2zeta.o\na - rism_module.o\na - ruotaijk.o\na - run_pwscf.o\na - s_1psi.o\na - s_psi.o\na - save_in_cbands.o\na - save_in_electrons.o\na - scale_h.o\na - loc_scdm.o\na - loc_scdm_k.o\na - scf_mod.o\na - set_kplusq.o\na - set_kup_and_kdw.o\na - set_occupations.o\na - set_rhoc.o\na - set_spin_vars.o\na - set_vrs.o\na - setlocal.o\na - setup.o\na - scissor.o\na - sic.o\na - starting_scf_mod.o\na - stop_run.o\na - stres_cc.o\na - stres_ewa.o\na - stres_gradcorr.o\na - stres_har.o\na - stres_hub.o\na - stres_knl.o\na - stres_loc.o\na - stres_us.o\na - stres_nonloc_dft.o\na - stres_mgga.o\na - stress.o\na - struct_fact.o\na - sum_band.o\na - sumkg.o\na - sumkt.o\na - summary.o\na - symme.o\na - symm_base.o\na - symmetrize_at.o\na - tetra.o\na - transform_becsum_so.o\na - transform_becsum_nc.o\na - trnvecc.o\na - two_chem.o\na - update_pot.o\na - us_exx.o\na - usnldiag.o\na - v_hubbard.o\na - v_of_rho.o\na - vcsmd.o\na - vcsubs.o\na - vhpsi.o\na - vhpsi_U.o\na - vloc_psi_tg.o\na - vloc_psi_acc.o\na - utils.o\na - xdm_dispersion.o\na - wfcinit.o\na - write_ns.o\na - wsweight.o\na - weights.o\na - ortho_wfc.o\na - wannier_init.o\na - wannier_check.o\na - wannier_clean.o\na - wannier_occ.o\na - oscdft_input.o\na - oscdft_context.o\na - oscdft_base.o\na - oscdft_enums.o\na - oscdft_indices.o\na - oscdft_wavefunction.o\na - oscdft_wavefunction_subs.o\na - oscdft_functions.o\na - oscdft_occupations.o\na - oscdft_wfcO.o\na - oscdft_forces.o\na - oscdft_forces_subs.o\na - oscdft_extended.o\na - d3hess_mod.o\na - utils_gpu.o\na - oscdft_functions_gpu.o\nranlib libpw.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\nif test -d PW ; then \\\n( cd PW ; make all || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[2]: 'libpw.a' is up to date.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\n( cd src ; make all || exit 1 )\n( cd tools ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/tools'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c ev.f90 -o ev.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c kpoints.f90 -o kpoints.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c pwi2xsf.f90 -o pwi2xsf.o\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pwscf.f90 -o pwscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c ibrav2cell.f90 -o ibrav2cell.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pw.x \\\n pwscf.o libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c cell2ibrav.f90 -o cell2ibrav.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c scan_ibrav.f90 -o scan_ibrav.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c rism1d.f90 -o rism1d.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o kpoints.x \\\n\tkpoints.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pwi2xsf.x \\\n\tpwi2xsf.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ibrav2cell.x \\\n\tibrav2cell.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin; ln -fs ../PW/src/pw.x . ; \\\n ln -fs ../PW/src/pw.x dist.x ; ln -fs ../PW/src/pw.x manypw.x ; )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o cell2ibrav.x \\\n\tcell2ibrav.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/kpoints.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o scan_ibrav.x \\\n\tscan_ibrav.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/pwi2xsf.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o rism1d.x \\\n\trism1d.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/ibrav2cell.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ev.x \\\n\tev.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/cell2ibrav.x . )\n( cd ../../bin ; ln -fs ../PW/tools/scan_ibrav.x . )\n( cd ../../bin ; ln -fs ../PW/tools/ev.x . )\n( cd ../../bin ; ln -fs ../PW/tools/rism1d.x . )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/tools'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\ntest -d bin || mkdir bin\n( cd UtilXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libdevx || exit 1 )\n( cd FFTXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libmbd || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/devxlib/make_devx; then \\\nmkdir -p /kaggle/working/q-e-qe-7.6/devxlib/src ; \\\ncd /kaggle/working/q-e-qe-7.6/external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.6/make.inc ../; \\\n( make all && touch /kaggle/working/q-e-qe-7.6/devxlib/make_devx ) ; \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/devxlib/src/ ; fi\n( cd XClib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\n( cd src ; make all || exit 1 )\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/MBD/make_mbd; then \\\n mkdir /kaggle/working/q-e-qe-7.6/MBD; \\\n cd /kaggle/working/q-e-qe-7.6/external/mbd/src; \\\n export FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include \"; \\\n (make -f ../../mbd.make && touch /kaggle/working/q-e-qe-7.6/MBD/make_mbd); \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/MBD; fi\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\n( cd LAXlib ; make all || exit 1 )\n( cd upflib ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/LAXlib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/LAXlib'\n( cd KS_Solvers ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/upflib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/upflib'\n( cd Modules ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/Modules'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/Modules'\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\n( cd dft-d3 ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nif test -d Direct ; then \\\n ( cd Direct ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d PW ; then \\\n( cd PW ; make pwlibs || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[2]: 'libpw.a' is up to date.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd LR_Modules ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/LR_Modules'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lrcom.f90 -o lrcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c apply_dpot.f90 -o apply_dpot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c apply_dpot_mod.f90 -o apply_dpot_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c apply_trev.f90 -o apply_trev.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c addusldos.f90 -o addusldos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c adddvepsi_us.f90 -o adddvepsi_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c c_bands_ph.f90 -o c_bands_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c cgsolve_all.f90 -o cgsolve_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c ccgsolve_all.f90 -o ccgsolve_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c cg_psi.f90 -o cg_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c ccg_psi.f90 -o ccg_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c check_q_points_sym.f90 -o check_q_points_sym.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dfpt_type.f90 -o dfpt_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dynmat_sub.f90 -o dynmat_sub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dgradcorr.f90 -o dgradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dv_rVV10.f90 -o dv_rVV10.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dv_vdW_DF.f90 -o dv_vdW_DF.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c non_scf_ph.f90 -o non_scf_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_intq_nc.f90 -o set_intq_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_sym_mod.f90 -o lr_sym_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c sym_def.f90 -o sym_def.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c psymdvscf.f90 -o psymdvscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c symdvscf.f90 -o symdvscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c sym_dmag.f90 -o sym_dmag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c orthogonalize_omega.f90 -o orthogonalize_omega.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_nscf.f90 -o setup_nscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_dbecsum_nc.f90 -o set_dbecsum_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_int3_nc.f90 -o set_int3_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_kplusq_nc.f90 -o set_kplusq_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c smallgq.f90 -o smallgq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_dgc.f90 -o setup_dgc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c compute_vsgga.f90 -o compute_vsgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_dmuxc.f90 -o setup_dmuxc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_nbnd_occ.f90 -o setup_nbnd_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c sgam_lr.f90 -o sgam_lr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c star_q.f90 -o star_q.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setqmod.f90 -o setqmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c qdipol_cryst.f90 -o qdipol_cryst.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c mode_group.f90 -o mode_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c mix_pot.f90 -o mix_pot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_nc_mag.f90 -o lr_nc_mag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_restart.f90 -o lr_restart.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lanczos_nonhermitian.f90 -o lanczos_nonhermitian.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lanczos_pseudohermitian.f90 -o lanczos_pseudohermitian.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lanczos_pseudohermitian_c.f90 -o lanczos_pseudohermitian_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lanczos_nonhermitian_c.f90 -o lanczos_nonhermitian_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c qpoint.f90 -o qpoint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dnonloccorr.f90 -o dnonloccorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c adddvscf.f90 -o adddvscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c adddvhubscf.f90 -o adddvhubscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c addusdbec.f90 -o addusdbec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c addusdbec_nc.f90 -o addusdbec_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c cft_wave.f90 -o cft_wave.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c ch_psi_all.f90 -o ch_psi_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c ch_psi_all_complex.f90 -o ch_psi_all_complex.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c Coul_cut_2D_ph.f90 -o Coul_cut_2D_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dfpt_tetra_mod.f90 -o dfpt_tetra_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c incdrhoscf_mod.f90 -o incdrhoscf_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c h_prec.f90 -o h_prec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c h_prec_freq.f90 -o h_prec_freq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dv_of_drho.f90 -o dv_of_drho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c newdq.f90 -o newdq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c sym_dns.f90 -o sym_dns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_sm1_psi.f90 -o lr_sm1_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_addusddens.f90 -o lr_addusddens.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_small_group_of_q.f90 -o set_small_group_of_q.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_orthoUwfc.f90 -o lr_orthoUwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_dot.f90 -o lr_dot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_dot_magnons.f90 -o lr_dot_magnons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_sym_paw.f90 -o lr_sym_paw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c response_kernels.f90 -o response_kernels.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c efermi_shift.f90 -o efermi_shift.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c localdos.f90 -o localdos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c orthogonalize.f90 -o orthogonalize.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_alpha_pv.f90 -o setup_alpha_pv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_two_chem.f90 -o lr_two_chem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dnsq_scf.f90 -o dnsq_scf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c twochem_postproc_dfpt.f90 -o twochem_postproc_dfpt.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dfpt_kernels.f90 -o dfpt_kernels.o\nar ruv liblrmod.a adddvscf.o adddvhubscf.o addusdbec.o addusdbec_nc.o apply_dpot.o apply_dpot_mod.o apply_trev.o addusldos.o adddvepsi_us.o c_bands_ph.o cft_wave.o cgsolve_all.o ccgsolve_all.o cg_psi.o ccg_psi.o ch_psi_all.o ch_psi_all_complex.o Coul_cut_2D_ph.o check_q_points_sym.o dnsq_scf.o dfpt_tetra_mod.o dfpt_type.o dynmat_sub.o h_prec.o h_prec_freq.o incdrhoscf_mod.o dv_of_drho.o dgradcorr.o dnonloccorr.o dv_vdW_DF.o dv_rVV10.o newdq.o non_scf_ph.o set_intq_nc.o lr_sym_mod.o sym_def.o psymdvscf.o sym_dns.o symdvscf.o sym_dmag.o orthogonalize.o orthogonalize_omega.o setup_nscf.o set_dbecsum_nc.o set_int3_nc.o set_kplusq_nc.o smallgq.o lr_sm1_psi.o lr_addusddens.o localdos.o setup_dgc.o compute_vsgga.o setup_dmuxc.o setup_nbnd_occ.o setup_alpha_pv.o set_small_group_of_q.o sgam_lr.o star_q.o setqmod.o lr_orthoUwfc.o qdipol_cryst.o mode_group.o mix_pot.o lrcom.o qpoint.o lr_dot.o lr_dot_magnons.o lr_nc_mag.o lr_two_chem.o twochem_postproc_dfpt.o lr_sym_paw.o lr_restart.o lanczos_nonhermitian.o lanczos_pseudohermitian.o lanczos_pseudohermitian_c.o lanczos_nonhermitian_c.o response_kernels.o efermi_shift.o dfpt_kernels.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating liblrmod.a\na - adddvscf.o\na - adddvhubscf.o\na - addusdbec.o\na - addusdbec_nc.o\na - apply_dpot.o\na - apply_dpot_mod.o\na - apply_trev.o\na - addusldos.o\na - adddvepsi_us.o\na - c_bands_ph.o\na - cft_wave.o\na - cgsolve_all.o\na - ccgsolve_all.o\na - cg_psi.o\na - ccg_psi.o\na - ch_psi_all.o\na - ch_psi_all_complex.o\na - Coul_cut_2D_ph.o\na - check_q_points_sym.o\na - dnsq_scf.o\na - dfpt_tetra_mod.o\na - dfpt_type.o\na - dynmat_sub.o\na - h_prec.o\na - h_prec_freq.o\na - incdrhoscf_mod.o\na - dv_of_drho.o\na - dgradcorr.o\na - dnonloccorr.o\na - dv_vdW_DF.o\na - dv_rVV10.o\na - newdq.o\na - non_scf_ph.o\na - set_intq_nc.o\na - lr_sym_mod.o\na - sym_def.o\na - psymdvscf.o\na - sym_dns.o\na - symdvscf.o\na - sym_dmag.o\na - orthogonalize.o\na - orthogonalize_omega.o\na - setup_nscf.o\na - set_dbecsum_nc.o\na - set_int3_nc.o\na - set_kplusq_nc.o\na - smallgq.o\na - lr_sm1_psi.o\na - lr_addusddens.o\na - localdos.o\na - setup_dgc.o\na - compute_vsgga.o\na - setup_dmuxc.o\na - setup_nbnd_occ.o\na - setup_alpha_pv.o\na - set_small_group_of_q.o\na - sgam_lr.o\na - star_q.o\na - setqmod.o\na - lr_orthoUwfc.o\na - qdipol_cryst.o\na - mode_group.o\na - mix_pot.o\na - lrcom.o\na - qpoint.o\na - lr_dot.o\na - lr_dot_magnons.o\na - lr_nc_mag.o\na - lr_two_chem.o\na - twochem_postproc_dfpt.o\na - lr_sym_paw.o\na - lr_restart.o\na - lanczos_nonhermitian.o\na - lanczos_pseudohermitian.o\na - lanczos_pseudohermitian_c.o\na - lanczos_nonhermitian_c.o\na - response_kernels.o\na - efermi_shift.o\na - dfpt_kernels.o\nranlib liblrmod.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/LR_Modules'\nif test -d PHonon; then \\\n( cd PHonon; make phlibs || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon'\n( cd PH ; make phlibs || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c acfdtest.f90 -o acfdtest.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phcom.f90 -o phcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c add_for_charges.f90 -o add_for_charges.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c elph.f90 -o elph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ramanm.f90 -o ramanm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dfile_autoname.f90 -o dfile_autoname.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cch_psi_all.f90 -o cch_psi_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c check_restart_recover.f90 -o check_restart_recover.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c clinear.f90 -o clinear.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_alphasum.f90 -o compute_alphasum.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_becalp.f90 -o compute_becalp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_becsum_ph.f90 -o compute_becsum_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_drhous.f90 -o compute_drhous.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_drhous_nc.f90 -o compute_drhous_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_dvloc.f90 -o compute_dvloc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_nldyn.f90 -o compute_nldyn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_weight.f90 -o compute_weight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c deallocate_part.f90 -o deallocate_part.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c deallocate_phq.f90 -o deallocate_phq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2ionq.f90 -o d2ionq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2nsq_bare.f90 -o d2nsq_bare.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dnsq_bare.f90 -o dnsq_bare.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dnsq_orth_set_irr.f90 -o dnsq_orth_set_irr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dnsq_store.f90 -o dnsq_store.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c davcio_drho.f90 -o davcio_drho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c elph_scdft_mod.f90 -o elph_scdft_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c io_dyn_mat.f90 -o io_dyn_mat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c io_dyn_mat_old.f90 -o io_dyn_mat_old.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rigid.f90 -o rigid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drho.f90 -o drho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodv.f90 -o drhodv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodvloc.f90 -o drhodvloc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodvnl.f90 -o drhodvnl.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodvus.f90 -o drhodvus.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvanqq.f90 -o dvanqq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvkb3.f90 -o dvkb3.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvpsi_e.f90 -o dvpsi_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvqpsi_us.f90 -o dvqpsi_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvqpsi_us_only.f90 -o dvqpsi_us_only.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dyndia.f90 -o dyndia.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_us.f90 -o dynmat_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmatcc.f90 -o dynmatcc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_hub_bare.f90 -o dynmat_hub_bare.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_hub_scf.f90 -o dynmat_hub_scf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dwfc.f90 -o dwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvqhub_barepsi_us.f90 -o dvqhub_barepsi_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvqhub_barepsi_us2.f90 -o dvqhub_barepsi_us2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c delta_sphi.f90 -o delta_sphi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dpsi_orth.f90 -o dpsi_orth.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c el_ph_collect.f90 -o el_ph_collect.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c find_equiv_sites.f90 -o find_equiv_sites.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c find_mode_sym.f90 -o find_mode_sym.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c find_irrep.f90 -o find_irrep.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c generate_dynamical_matrix_c.f90 -o generate_dynamical_matrix_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c generate_effective_charges_c.f90 -o generate_effective_charges_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c gmressolve_all.f90 -o gmressolve_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c incdrhous.f90 -o incdrhous.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c incdrhous_nc.f90 -o incdrhous_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c initialize_ph.f90 -o initialize_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c io_pattern.f90 -o io_pattern.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c obsolete.f90 -o obsolete.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_hub.f90 -o write_hub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_init.f90 -o phq_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_summary.f90 -o phq_summary.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ph_set_upert.f90 -o ph_set_upert.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c prepare_sym_analysis.f90 -o prepare_sym_analysis.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c psidspsi.f90 -o psidspsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c punch_plot_e.f90 -o punch_plot_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q2qstar_ph.f90 -o q2qstar_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c random_matrix.f90 -o random_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rotate_and_add_dyn.f90 -o rotate_and_add_dyn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rotate_pattern_add.f90 -o rotate_pattern_add.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_asr_c.f90 -o set_asr_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_drhoc.f90 -o set_drhoc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_int12_nc.f90 -o set_int12_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_irr.f90 -o set_irr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_irr_nosym.f90 -o set_irr_nosym.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_irr_sym.f90 -o set_irr_sym.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c setlocq.f90 -o setlocq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e_fpol.f90 -o solve_e_fpol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c summarize.f90 -o summarize.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c symdyn_munu.f90 -o symdyn_munu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c symdynph_gq.f90 -o symdynph_gq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c symm.f90 -o symm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c symmorphic_or_nzb.f90 -o symmorphic_or_nzb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c swfc.f90 -o swfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c sym_dns_wrapper.f90 -o sym_dns_wrapper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c transform_int_so.f90 -o transform_int_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c transform_int_nc.f90 -o transform_int_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c transform_alphasum_nc.f90 -o transform_alphasum_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c transform_alphasum_so.f90 -o transform_alphasum_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c tra_write_matrix.f90 -o tra_write_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c trntnsc.f90 -o trntnsc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_eigenvectors.f90 -o write_eigenvectors.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_epsilon_and_zeu.f90 -o write_epsilon_and_zeu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_qplot_data.f90 -o write_qplot_data.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_matrix.f90 -o write_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_modes.f90 -o write_modes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c zstar_eu_us.f90 -o zstar_eu_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c psyme2.f90 -o psyme2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c chi_test.f90 -o chi_test.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dielec_test.f90 -o dielec_test.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvpsi_e2.f90 -o dvpsi_e2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c hdiag.f90 -o hdiag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c pcgreen.f90 -o pcgreen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c syme2.f90 -o syme2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e_nscf.f90 -o solve_e_nscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_ramtns.f90 -o write_ramtns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2mxc.f90 -o d2mxc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c raman_mat.f90 -o raman_mat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dhdrhopsi.f90 -o dhdrhopsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_dvscf.f90 -o set_dvscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c add_dkmds.f90 -o add_dkmds.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c add_zstar_ue.f90 -o add_zstar_ue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c add_zstar_ue_us.f90 -o add_zstar_ue_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c addcore.f90 -o addcore.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_nlcc.f90 -o dynmat_nlcc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c addnlcc_zstar_eu_us.f90 -o addnlcc_zstar_eu_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c addusddens_pulay.f90 -o addusddens_pulay.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c addusdynmat.f90 -o addusdynmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c allocate_part.f90 -o allocate_part.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c allocate_pert.f90 -o allocate_pert.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c allocate_phq.f90 -o allocate_phq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c yambo.f90 -o yambo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ahc.f90 -o ahc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvscf_interpolate.f90 -o dvscf_interpolate.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dfile_star.f90 -o dfile_star.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c elph_tetra_mod.f90 -o elph_tetra_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c check_if_partial_dyn.f90 -o check_if_partial_dyn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ph_restart.f90 -o ph_restart.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c save_ph_input.f90 -o save_ph_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dnsq_orth.f90 -o dnsq_orth.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c do_q2r.f90 -o do_q2r.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ep_matrix_element_wannier.f90 -o ep_matrix_element_wannier.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c openfilq.f90 -o openfilq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phescf.f90 -o phescf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_recover.f90 -o phq_recover.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c polariz.f90 -o polariz.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c print_clock_ph.f90 -o print_clock_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c prepare_q.f90 -o prepare_q.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q_points_wannier.f90 -o q_points_wannier.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c read_wfc_rspace_and_fwfft.f90 -o read_wfc_rspace_and_fwfft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rotate_dvscf_star.f90 -o rotate_dvscf_star.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c run_nscf.f90 -o run_nscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c stop_ph.f90 -o stop_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c sym_and_write_zue.f90 -o sym_and_write_zue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c zstar_eu.f90 -o zstar_eu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dump_drho.f90 -o dump_drho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c el_opt.f90 -o el_opt.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c raman.f90 -o raman.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c bcast_ph_input.f90 -o bcast_ph_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c check_initial_status.f90 -o check_initial_status.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c clean_pw_ph.f90 -o clean_pw_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_rec.f90 -o write_rec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2ionq_disp.f90 -o d2ionq_disp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dielec.f90 -o dielec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c do_phonon.f90 -o do_phonon.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat0.f90 -o dynmat0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmatrix.f90 -o dynmatrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c elphon.f90 -o elphon.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c init_representations.f90 -o init_representations.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_readin.f90 -o phq_readin.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_setup.f90 -o phq_setup.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phqscf.f90 -o phqscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q_points.f90 -o q_points.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e.f90 -o solve_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_linter.f90 -o solve_linter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e2.f90 -o solve_e2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c close_phq.f90 -o close_phq.o\nar ruv libph.a acfdtest.o add_dkmds.o add_for_charges.o add_zstar_ue.o add_zstar_ue_us.o addcore.o dynmat_nlcc.o addnlcc_zstar_eu_us.o addusddens_pulay.o addusdynmat.o allocate_part.o allocate_pert.o allocate_phq.o yambo.o ahc.o dvscf_interpolate.o bcast_ph_input.o cch_psi_all.o check_if_partial_dyn.o check_initial_status.o check_restart_recover.o clean_pw_ph.o clinear.o close_phq.o compute_alphasum.o compute_becalp.o compute_becsum_ph.o compute_drhous.o compute_drhous_nc.o compute_dvloc.o compute_nldyn.o compute_weight.o deallocate_part.o deallocate_phq.o d2ionq.o d2ionq_disp.o d2nsq_bare.o dnsq_bare.o dnsq_orth.o dnsq_orth_set_irr.o dnsq_store.o davcio_drho.o dfile_autoname.o dfile_star.o dielec.o do_phonon.o do_q2r.o drho.o drhodv.o drhodvloc.o drhodvnl.o drhodvus.o dvanqq.o dvkb3.o dvpsi_e.o dvqpsi_us.o dvqpsi_us_only.o dyndia.o dynmat0.o dynmat_us.o dynmatcc.o dynmatrix.o dynmat_hub_bare.o dynmat_hub_scf.o dwfc.o dvqhub_barepsi_us.o dvqhub_barepsi_us2.o delta_sphi.o dpsi_orth.o ep_matrix_element_wannier.o elph.o el_ph_collect.o elphon.o elph_scdft_mod.o elph_tetra_mod.o find_equiv_sites.o find_mode_sym.o find_irrep.o generate_dynamical_matrix_c.o generate_effective_charges_c.o gmressolve_all.o incdrhous.o incdrhous_nc.o initialize_ph.o init_representations.o io_dyn_mat.o io_dyn_mat_old.o io_pattern.o obsolete.o openfilq.o phcom.o ph_restart.o phescf.o phq_init.o phq_readin.o phq_recover.o phq_setup.o phq_summary.o phqscf.o ph_set_upert.o polariz.o print_clock_ph.o prepare_q.o prepare_sym_analysis.o psidspsi.o punch_plot_e.o q_points.o q_points_wannier.o q2qstar_ph.o random_matrix.o read_wfc_rspace_and_fwfft.o rigid.o rotate_dvscf_star.o rotate_and_add_dyn.o rotate_pattern_add.o run_nscf.o save_ph_input.o set_asr_c.o set_drhoc.o set_int12_nc.o set_irr.o set_irr_nosym.o set_irr_sym.o setlocq.o solve_e.o solve_e_fpol.o solve_linter.o stop_ph.o summarize.o sym_and_write_zue.o symdyn_munu.o symdynph_gq.o symm.o symmorphic_or_nzb.o swfc.o sym_dns_wrapper.o transform_int_so.o transform_int_nc.o transform_alphasum_nc.o transform_alphasum_so.o tra_write_matrix.o trntnsc.o write_eigenvectors.o write_epsilon_and_zeu.o write_qplot_data.o write_matrix.o write_modes.o write_rec.o write_hub.o zstar_eu.o zstar_eu_us.o dump_drho.o psyme2.o chi_test.o dielec_test.o dvpsi_e2.o el_opt.o hdiag.o pcgreen.o ramanm.o syme2.o solve_e2.o solve_e_nscf.o write_ramtns.o d2mxc.o raman_mat.o raman.o dhdrhopsi.o set_dvscf.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libph.a\na - acfdtest.o\na - add_dkmds.o\na - add_for_charges.o\na - add_zstar_ue.o\na - add_zstar_ue_us.o\na - addcore.o\na - dynmat_nlcc.o\na - addnlcc_zstar_eu_us.o\na - addusddens_pulay.o\na - addusdynmat.o\na - allocate_part.o\na - allocate_pert.o\na - allocate_phq.o\na - yambo.o\na - ahc.o\na - dvscf_interpolate.o\na - bcast_ph_input.o\na - cch_psi_all.o\na - check_if_partial_dyn.o\na - check_initial_status.o\na - check_restart_recover.o\na - clean_pw_ph.o\na - clinear.o\na - close_phq.o\na - compute_alphasum.o\na - compute_becalp.o\na - compute_becsum_ph.o\na - compute_drhous.o\na - compute_drhous_nc.o\na - compute_dvloc.o\na - compute_nldyn.o\na - compute_weight.o\na - deallocate_part.o\na - deallocate_phq.o\na - d2ionq.o\na - d2ionq_disp.o\na - d2nsq_bare.o\na - dnsq_bare.o\na - dnsq_orth.o\na - dnsq_orth_set_irr.o\na - dnsq_store.o\na - davcio_drho.o\na - dfile_autoname.o\na - dfile_star.o\na - dielec.o\na - do_phonon.o\na - do_q2r.o\na - drho.o\na - drhodv.o\na - drhodvloc.o\na - drhodvnl.o\na - drhodvus.o\na - dvanqq.o\na - dvkb3.o\na - dvpsi_e.o\na - dvqpsi_us.o\na - dvqpsi_us_only.o\na - dyndia.o\na - dynmat0.o\na - dynmat_us.o\na - dynmatcc.o\na - dynmatrix.o\na - dynmat_hub_bare.o\na - dynmat_hub_scf.o\na - dwfc.o\na - dvqhub_barepsi_us.o\na - dvqhub_barepsi_us2.o\na - delta_sphi.o\na - dpsi_orth.o\na - ep_matrix_element_wannier.o\na - elph.o\na - el_ph_collect.o\na - elphon.o\na - elph_scdft_mod.o\na - elph_tetra_mod.o\na - find_equiv_sites.o\na - find_mode_sym.o\na - find_irrep.o\na - generate_dynamical_matrix_c.o\na - generate_effective_charges_c.o\na - gmressolve_all.o\na - incdrhous.o\na - incdrhous_nc.o\na - initialize_ph.o\na - init_representations.o\na - io_dyn_mat.o\na - io_dyn_mat_old.o\na - io_pattern.o\na - obsolete.o\na - openfilq.o\na - phcom.o\na - ph_restart.o\na - phescf.o\na - phq_init.o\na - phq_readin.o\na - phq_recover.o\na - phq_setup.o\na - phq_summary.o\na - phqscf.o\na - ph_set_upert.o\na - polariz.o\na - print_clock_ph.o\na - prepare_q.o\na - prepare_sym_analysis.o\na - psidspsi.o\na - punch_plot_e.o\na - q_points.o\na - q_points_wannier.o\na - q2qstar_ph.o\na - random_matrix.o\na - read_wfc_rspace_and_fwfft.o\na - rigid.o\na - rotate_dvscf_star.o\na - rotate_and_add_dyn.o\na - rotate_pattern_add.o\na - run_nscf.o\na - save_ph_input.o\na - set_asr_c.o\na - set_drhoc.o\na - set_int12_nc.o\na - set_irr.o\na - set_irr_nosym.o\na - set_irr_sym.o\na - setlocq.o\na - solve_e.o\na - solve_e_fpol.o\na - solve_linter.o\na - stop_ph.o\na - summarize.o\na - sym_and_write_zue.o\na - symdyn_munu.o\na - symdynph_gq.o\na - symm.o\na - symmorphic_or_nzb.o\na - swfc.o\na - sym_dns_wrapper.o\na - transform_int_so.o\na - transform_int_nc.o\na - transform_alphasum_nc.o\na - transform_alphasum_so.o\na - tra_write_matrix.o\na - trntnsc.o\na - write_eigenvectors.o\na - write_epsilon_and_zeu.o\na - write_qplot_data.o\na - write_matrix.o\na - write_modes.o\na - write_rec.o\na - write_hub.o\na - zstar_eu.o\na - zstar_eu_us.o\na - dump_drho.o\na - psyme2.o\na - chi_test.o\na - dielec_test.o\na - dvpsi_e2.o\na - el_opt.o\na - hdiag.o\na - pcgreen.o\na - ramanm.o\na - syme2.o\na - solve_e2.o\na - solve_e_nscf.o\na - write_ramtns.o\na - d2mxc.o\na - raman_mat.o\na - raman.o\na - dhdrhopsi.o\na - set_dvscf.o\nranlib libph.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon'\nif test -d PHonon; then \\\n( cd PHonon; make all || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon'\n( cd PH ; make phlibs || exit 1 )\n( cd Gamma ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/Gamma'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cgcom.f90 -o cgcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cgsolve.f90 -o cgsolve.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2ion.f90 -o d2ion.o\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[2]: Nothing to be done for 'phlibs'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dgradcorr.f90 -o dgradcorr.o\n( cd PH ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phonon.f90 -o phonon.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat.f90 -o dynmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvb_cc.f90 -o dvb_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c matdyn.f90 -o matdyn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q2r.f90 -o q2r.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c lambda.f90 -o lambda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvpsi_e.f90 -o dvpsi_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvpsi_kb.f90 -o dvpsi_kb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dyndiar.f90 -o dyndiar.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c fqha.f90 -o fqha.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_init.f90 -o dynmat_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmatcc.f90 -o dynmatcc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q2qstar.f90 -o q2qstar.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c alpha2f.f90 -o alpha2f.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c epa.f90 -o epa.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c find_equiv_sites.f90 -o find_equiv_sites.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c generate_dynamical_matrix.f90 -o generate_dynamical_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c generate_effective_charges.f90 -o generate_effective_charges.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c h_h.f90 -o h_h.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c macro.f90 -o macro.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvscf_q2r.f90 -o dvscf_q2r.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c postahc.f90 -o postahc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rhod2vkb.f90 -o rhod2vkb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e.f90 -o solve_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_ph.f90 -o solve_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c writedyn.f90 -o writedyn.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ph.x phonon.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phcg.f90 -o phcg.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o dynmat.x dynmat.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/ph.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o q2r.x q2r.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c a_h.f90 -o a_h.o\n( cd ../../bin ; ln -fs ../PHonon/PH/dynmat.x . )\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cg_readin.f90 -o cg_readin.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o lambda.x lambda.o \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/q2r.x . )\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cg_setup.f90 -o cg_setup.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o fqha.x fqha.o \\\n ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o q2qstar.x q2qstar.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dielec.f90 -o dielec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodv.f90 -o drhodv.o\n( cd ../../bin ; ln -fs ../PHonon/PH/lambda.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o alpha2f.x alpha2f.o libph.a \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/fqha.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o epa.x epa.o libph.a \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nar ruv libphcg.a a_h.o cg_readin.o cg_setup.o cgcom.o cgsolve.o d2ion.o dgradcorr.o dielec.o drhodv.o dvb_cc.o dvpsi_e.o dvpsi_kb.o dyndiar.o dynmat_init.o dynmatcc.o find_equiv_sites.o generate_dynamical_matrix.o generate_effective_charges.o h_h.o macro.o rhod2vkb.o solve_e.o solve_ph.o writedyn.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libphcg.a\na - a_h.o\na - cg_readin.o\na - cg_setup.o\na - cgcom.o\na - cgsolve.o\na - d2ion.o\na - dgradcorr.o\na - dielec.o\na - drhodv.o\na - dvb_cc.o\na - dvpsi_e.o\na - dvpsi_kb.o\na - dyndiar.o\na - dynmat_init.o\na - dynmatcc.o\na - find_equiv_sites.o\na - generate_dynamical_matrix.o\na - generate_effective_charges.o\na - h_h.o\na - macro.o\na - rhod2vkb.o\na - solve_e.o\na - solve_ph.o\na - writedyn.o\nranlib libphcg.a\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o phcg.x \\\n\tphcg.o libphcg.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a ../../LR_Modules/liblrmod.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/q2qstar.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o dvscf_q2r.x dvscf_q2r.o libph.a \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/epa.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o postahc.x postahc.o \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/alpha2f.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o matdyn.x matdyn.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/Gamma/phcg.x . )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/Gamma'\n( cd ../../bin ; ln -fs ../PHonon/PH/dvscf_q2r.x . )\n( cd ../../bin ; ln -fs ../PHonon/PH/matdyn.x . )\n( cd ../../bin ; ln -fs ../PHonon/PH/postahc.x . )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon'\n","output_type":"stream"}],"execution_count":7},{"cell_type":"markdown","source":"Below code runs QE and the analysis.","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > run_qe.sh << 'EOF'\n#!/bin/bash\nexport CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\nexec /kaggle/working/q-e-qe-7.6/bin/pw.x -nb 4 -in input.in > output.out\nEOF\nchmod +x run_qe.sh\n\nmpirun --allow-run-as-root -np 2 \\\n --bind-to none \\\n ./run_qe.sh || true","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-10T08:04:44.904111Z","iopub.execute_input":"2026-08-10T08:04:44.905134Z","execution_failed":"2026-08-10T08:42:16.275Z"}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Check outputs for any errors(saves a lot of time compared to trying to use mpirun error codes)","metadata":{}},{"cell_type":"code","source":"!cat output.out","metadata":{"trusted":true,"execution":{"execution_failed":"2026-08-10T08:42:16.275Z"}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Runs D3hess.x to generate information for ph.x","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > run_qe.sh << 'EOF'\n#!/bin/bash\nexport CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\nexec /kaggle/working/q-e-qe-7.6/bin/d3hess.x -nb 4 -in d3hess.in > d3hess.out\nEOF\nchmod +x run_qe.sh\n\nmpirun --allow-run-as-root -np 2 \\\n --bind-to none \\\n ./run_qe.sh || true","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Runs phonon calculations once phonpy has made the supercells.","metadata":{}},{"cell_type":"code","source":"import glob\nimport os\nimport re\n\n# 1. Sort all supercell files numerically\nall_files = glob.glob('supercell-*.in')\nall_files.sort(key=lambda f: int(re.sub(r'\\D', '', f)))\n\n# 2. Filter list to stop at 90\ntarget_files = []\nfor f in all_files:\n match = re.search(r'-(\\d+)\\.', f)\n if match and int(match.group(1)) <= 90:\n target_files.append(f)\n\n# 3. Create the parallel worker script\n# Rank 0 processes indices 0, 2, 4... Rank 1 processes indices 1, 3, 5...\nwith open(\"run_parallel.sh\", \"w\") as f:\n f.write(\"#!/bin/bash\\n\")\n f.write(\"export CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\\n\")\n f.write(\"RANK=${OMPI_COMM_WORLD_LOCAL_RANK}\\n\")\n f.write(\"SIZE=${OMPI_COMM_WORLD_LOCAL_SIZE}\\n\")\n f.write(\"FILES=(\\\"$@\\\")\\n\\n\")\n \n f.write(\"for (( i=$RANK; i<${#FILES[@]}; i+=$SIZE )); do\\n\")\n f.write(\" IN_FILE=${FILES[$i]}\\n\")\n f.write(\" OUT_FILE=\\\"${IN_FILE%.in}.out\\\"\\n\")\n \n # Skip if output already exists and isn't empty\n f.write(\" if [ -s \\\"$OUT_FILE\\\" ]; then\\n\")\n f.write(\" echo \\\"Rank $RANK: Skipping $IN_FILE (already done)\\\"\\n\")\n f.write(\" continue\\n\")\n f.write(\" fi\\n\\n\")\n \n # Isolated work directory to prevent GPU scratch-file collisions\n f.write(\" WORKDIR=\\\"work_rank_${RANK}_idx_${i}\\\"\\n\")\n f.write(\" mkdir -p $WORKDIR && cp $IN_FILE $WORKDIR/in.in\\n\")\n \n f.write(\" echo \\\"Rank $RANK: Starting $IN_FILE on GPU $RANK\\\"\\n\")\n # Execute pw.x\n f.write(\" /kaggle/working/q-e-qe-7.6/bin/pw.x -in $WORKDIR/in.in > $OUT_FILE\\n\")\n \n f.write(\" rm -rf $WORKDIR\\n\")\n f.write(\"done\\n\")\n\n!chmod +x run_parallel.sh\n\n# 4. Launch the two workers\nfiles_str = \" \".join(target_files)\n!mpirun --allow-run-as-root -np 2 --bind-to none ./run_parallel.sh {files_str}","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"## 6.(Optional) In case .in files not present and only .xyz file available ","metadata":{}},{"cell_type":"markdown","source":"Run this if you have .in files and need ld1.x to run to create a .upf file.","metadata":{}},{"cell_type":"code","source":"'''!cd /kaggle/working/q-e-qe-7.6/bin\n!make ld1 -j2'''\n!cd /kaggle/input/datasets/pcsciprav/actinide-basis-set-rel/fully-relativistic-basis\n!../q-e-qe-7.2/bin/ld1.x < /kaggle/input/datasets/pcsciprav/actinide-basis-set-rel/fully-relativistic-basis/pu.in > pu.out\n# Change the .in and .out file names to match the input .in file name. Use the same .out name.","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Change the link to any pseudopotential file as an alternative to ld1.","metadata":{}},{"cell_type":"code","source":"!wget https://pseudopotentials.quantum-espresso.org/upf_files/V.pbe-spnl-kjpaw_psl.1.0.0.UPF\n#!wget https://pseudopotentials.quantum-espresso.org/upf_files/N.rel-pz-n-kjpaw_psl.1.0.0.UPF\n#!wget https://pseudopotentials.quantum-espresso.org/upf_files/F.rel-pbe-n-kjpaw_psl.0.1.UPF","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Run this snippet first and ensure persistence is set to files or variables and files.","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > relaxed.xyz << EOF\n37\nempty space\nN 12.1526494309 9.1674866038 10.4272563978\nN 11.4556314360 8.3476721009 9.3724563712\nN 10.4085781859 8.9452001098 8.5765180226\nO 10.2718526399 8.5017884604 7.4532391213\nO 9.7165347183 9.7856141721 9.1645407217\nC 12.4249924461 7.5512921343 8.6491909387\nN 12.3702088750 6.0774299018 9.0416975744\nF 12.3651994415 6.0966380513 10.4762292065\nF 11.0347403005 5.7357188652 8.7231338902\nN 13.6803020212 8.1067563575 9.0597910569\nN 14.9143945600 7.5915401914 8.5478214130\nO 14.8418348346 7.0599920707 7.4641294751\nO 15.8908227803 7.8059543669 9.2625250951\nC 13.6191085175 8.7986737271 10.3319536904\nN 14.4123982432 9.9862081067 10.2751810138\nN 15.1820962259 10.3904754986 11.4987542363\nO 15.3867765738 9.4574763928 12.2835028369\nO 15.5198099804 11.5399805161 11.5490879344\nN 14.0393168409 11.0094227759 9.4536088887\nN 14.3915092640 10.8151655952 8.1150041787\nN 15.8238564951 11.7189776386 7.7206688030\nO 16.2039464129 11.5410874101 6.6569448982\nO 16.2484003472 12.3177377991 8.7208363225\nC 13.3094948299 11.3213443707 7.3148945555\nO 13.3548076343 11.5872872584 6.1319814536\nN 12.1875870461 11.4251007934 8.1905011705\nN 11.0403487451 12.3402843540 7.8805557499\nO 10.6992813133 12.2754963153 6.6336760936\nO 10.5998662926 12.9372978941 8.7366123765\nC 12.6053676196 11.4456388964 9.5951713605\nN 11.9308304378 10.4873601424 10.4297571300\nN 11.2185731431 10.9876765605 11.6973738104\nO 11.1975901142 12.2190320519 11.7972567452\nO 10.7721324670 10.1342543880 12.3984061151\nH 12.2632373397 7.5632546198 7.5732547189\nH 13.9283703285 8.1927228731 11.1913993381\nH 12.4939621172 12.4291206357 10.0484672950\nEOF","metadata":{"trusted":true,"jupyter":{"source_hidden":true,"outputs_hidden":true},"collapsed":true},"outputs":[],"execution_count":null},{"cell_type":"code","source":"import os\nimport shutil\nimport requests\n\nPSEUDO_DIR = \"pseudo\"\nos.makedirs(PSEUDO_DIR, exist_ok=True)\nBASE_URL = \"https://pseudopotentials.quantum-espresso.org/upf_files/\"\n\nmanual_pseudos = {\n #'V': '/kaggle/working/q-e-qe-7.5/V.pbe-spnl-kjpaw_psl.1.0.0.UPF'\n}\n\nmasses = {\n 'U': 238.03,\n 'Pu': 244.06,\n 'Au': 196.966570,\n 'Fr': 223,\n 'Cs': 132.91,\n 'N': 14.007,\n 'Nd': 144.242,\n 'Tc': 97.907,\n 'As': 74.9216,\n 'O': 16,\n 'C': 12,\n 'Os': 190.23,\n 'Pt': 198.9705762,\n 'Hg': 200.59,\n 'F': 18.998\n}\n\nhubbard_u = {\n #'U': 3.0\n}\n\ndef find_pseudo(element):\n return [\n f\"{element}.pbe-spn-kjpaw_psl.1.0.0.UPF\",\n f\"{element}.pbe-n-kjpaw_psl.1.0.0.UPF\",\n f\"{element}.pbe-kjpaw_psl.1.0.0.UPF\",\n ]\n\ndef try_download(element):\n for name in find_pseudo(element):\n path = os.path.join(PSEUDO_DIR, name)\n\n if os.path.exists(path):\n print(f\"Using existing pseudo: {path}\")\n return name\n\n url = BASE_URL + name\n try:\n r = requests.get(url, timeout=30)\n if r.status_code == 200 and len(r.content) > 0:\n with open(path, \"wb\") as f:\n f.write(r.content)\n print(f\"Downloaded {name}\")\n return name\n except Exception as e:\n print(f\"Could not download {name}: {e}\")\n\n return None\n\ndef install_manual_pseudo(element):\n src = manual_pseudos[element]\n if not os.path.exists(src):\n raise FileNotFoundError(f\"Manual pseudopotential for {element} not found: {src}\")\n\n filename = os.path.basename(src)\n dst = os.path.join(PSEUDO_DIR, filename)\n\n if not os.path.exists(dst):\n shutil.copyfile(src, dst)\n print(f\"Copied manual pseudo for {element} to {dst}\")\n else:\n print(f\"Using existing copied pseudo for {element}: {dst}\")\n\n return filename\n\ndef download_pseudo(element):\n if element in manual_pseudos:\n return install_manual_pseudo(element)\n\n result = try_download(element)\n if result:\n return result\n\n raise Exception(f\"No pseudopotential found for {element}\")\n\ndef xyz_to_qe(xyz_file, output=\"input.in\"):\n with open(xyz_file, \"r\", encoding=\"utf-8\") as f:\n lines = f.readlines()\n\n nat = int(lines[0].strip())\n coords = lines[2:2 + nat]\n\n atoms = []\n species_ordered = []\n\n for line in coords:\n parts = line.split()\n if len(parts) < 4:\n raise ValueError(f\"Invalid XYZ line: {line!r}\")\n el, x, y, z = parts[:4]\n x = float(x) + 10.0\n y = float(y) + 10.0\n z = float(z) + 10.0\n atoms.append((el, x, y, z))\n if el not in species_ordered:\n species_ordered.append(el)\n\n pseudo_map = {}\n for el in species_ordered:\n pseudo_map[el] = download_pseudo(el)\n\n with open(output, \"w\", encoding=\"ascii\", newline=\"\\n\") as f:\n # CONTROL\n f.write(\"&CONTROL\\n\")\n f.write(\" calculation = 'relax'\\n\") # Either keep it as relax or scf\n f.write(\" restart_mode='restart'\\n\")\n f.write(\" pseudo_dir = './pseudo/'\\n\")\n f.write(\" outdir = './tmp/'\\n\")\n f.write(\" prefix = 'calc'\\n\")\n f.write(\" tprnfor = .true.\\n\") # Remove this and the line below if forces for phonons not needed\n f.write(\" tstress = .true.\\n\")\n f.write(\"/\\n\\n\")\n\n # SYSTEM\n f.write(\"&SYSTEM\\n\")\n f.write(f\" nat = {nat}\\n\")\n f.write(f\" ntyp = {len(species_ordered)}\\n\")\n f.write(\" ecutwfc = 45\\n\")\n #f.write(\" tot_charge = 1\\n\") #Remove comment if using charged body\n f.write(\" ecutrho = 360\\n\")\n f.write(\" nbnd = 112\\n\")\n f.write(\" input_dft = 'PBE'\\n\")\n f.write(\" occupations = 'fixed'\\n\")\n #f.write(\" smearing = 'gaussian'\\n\")\n #f.write(\" degauss = 0.005\\n\")\n f.write(\" vdw_corr = 'grimme-d3'\\n\")\n f.write(\" dftd3_version = 4\\n\")\n f.write(\" dftd3_threebody = .false.\\n\")\n f.write(\" assume_isolated = 'mt'\\n\")\n f.write(\" ibrav = 0\\n\")\n f.write(\" nosym = .true.\\n\")\n f.write(\" noinv = .true.\\n\")\n f.write(\" noncolin = .false.\\n\")\n f.write(\" lspinorb = .false.\\n\")\n f.write(\"/\\n\\n\")\n\n # ELECTRONS\n f.write(\"&ELECTRONS\\n\")\n f.write(\" conv_thr = 1.0d-8\\n\")\n f.write(\" mixing_beta = 0.3\\n\")\n f.write(\" mixing_mode = 'local-TF'\\n\")\n f.write(\" electron_maxstep = 250\\n\")\n f.write(\"/\\n\\n\")\n \n # IONS\n # Use only when running calculation = relax, otherwise comment it out. Change damp to bfgs if the system is fairly stable.\n f.write(\"&IONS\\n\")\n f.write(\" ion_dynamics = 'bfgs'\\n\")\n f.write(\" trust_radius_ini = 0.10\\n\") # Lower for unstable systems\n f.write(\" trust_radius_max = 0.20\\n\") # Lower for unstable systems\n #f.write(\" upscale = 0.5\\n\")\n f.write(\"/\\n\\n\")\n\n # ATOMIC_SPECIES\n f.write(\"ATOMIC_SPECIES\\n\")\n for el in species_ordered:\n mass = masses.get(el, 1.0)\n pseudo_filename = pseudo_map[el]\n f.write(f\"{el:>3} {mass:10.5f} {pseudo_filename}\\n\")\n \n # ATOMIC_POSITIONS\n f.write(\"\\nATOMIC_POSITIONS angstrom\\n\")\n for el, x, y, z in atoms:\n f.write(f\"{el:>3} {x} {y} {z}\\n\")\n \n # CELL PARAMETERS ANGSTROMS\n f.write(\"\\nCELL_PARAMETERS angstrom\\n\")\n f.write(\"20.0 0.0 0.0\\n\")\n f.write(\"0.0 20.0 0.0\\n\")\n f.write(\"0.0 0.0 20.0\\n\")\n\n # K_POINTS\n f.write(\"\\nK_POINTS gamma\\n\")\n #f.write(\"1 1 1 0 0 0\\n\")\n\n # HUBBARD\n has_hubbard = any(el in hubbard_u for el in species_ordered)\n if has_hubbard:\n f.write(\"\\nHUBBARD ortho-atomic\\n\")\n for el in species_ordered:\n if el in hubbard_u:\n f.write(f\"U {el}-5f {hubbard_u[el]}\\n\")\n\n print(f\"QE input ready: {output}\")\n print(\"Pseudopotentials used:\")\n for el in species_ordered:\n print(f\" {el} -> {pseudo_map[el]}\")\n\nxyz_to_qe(\"/kaggle/input/datasets/pcsciprav/personal-project-molecules/Molecules_screening/C2N22O16.xyz\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-10T07:27:02.500081Z","iopub.execute_input":"2026-08-10T07:27:02.500737Z","iopub.status.idle":"2026-08-10T07:27:08.952695Z","shell.execute_reply.started":"2026-08-10T07:27:02.500703Z","shell.execute_reply":"2026-08-10T07:27:08.951903Z"}},"outputs":[{"name":"stdout","text":"Downloaded N.pbe-n-kjpaw_psl.1.0.0.UPF\nDownloaded C.pbe-n-kjpaw_psl.1.0.0.UPF\nDownloaded O.pbe-n-kjpaw_psl.1.0.0.UPF\nQE input ready: input.in\nPseudopotentials used:\n N -> N.pbe-n-kjpaw_psl.1.0.0.UPF\n C -> C.pbe-n-kjpaw_psl.1.0.0.UPF\n O -> O.pbe-n-kjpaw_psl.1.0.0.UPF\n","output_type":"stream"}],"execution_count":9},{"cell_type":"code","source":"# make_d3hess.py\n\nprefix = \"calc\"\noutdir = \"./tmp/\"\nfilhess = f\"{prefix}.hess\"\nstep = 1.0e-3\n\nd3hess_input = f\"\"\"&INPUT\n prefix = '{prefix}',\n outdir = '{outdir}',\n filhess = '{filhess}',\n step = {step:.1e}\n/\n\"\"\"\n\nwith open(\"d3hess.in\", \"w\") as f:\n f.write(d3hess_input)\n\nprint(\"Created d3hess.in\")\nprint(d3hess_input)","metadata":{"trusted":true},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Clones input.in to the supercell.in for running parallel finite displacement phonons.","metadata":{}},{"cell_type":"code","source":"import glob\n\n# 1. Read your baseline file and split it in half around the coordinates\nwith open('input.in', 'r') as f:\n baseline_lines = f.readlines()\n\npre_positions = []\npost_positions = []\nis_positions_block = False\npassed_positions = False\n\n# These keywords tell the script when the position block ends\nqe_keywords = ['&CONTROL', '&SYSTEM', '&ELECTRONS', '&IONS', '&CELL', \n 'K_POINTS', 'CELL_PARAMETERS', 'ATOMIC_SPECIES']\n\nfor line in baseline_lines:\n line_upper = line.strip().upper()\n \n if line_upper.startswith('ATOMIC_POSITIONS'):\n is_positions_block = True\n continue\n \n if is_positions_block:\n if any(line_upper.startswith(kw) for kw in qe_keywords):\n is_positions_block = False\n passed_positions = True\n post_positions.append(line)\n continue\n \n if not is_positions_block:\n if not passed_positions:\n pre_positions.append(line)\n else:\n post_positions.append(line)\n\n# 2. Extract the nudged coordinates from Phonopy's files\nfor target_file in glob.glob('supercell-*.in'):\n with open(target_file, 'r') as f:\n target_lines = f.readlines()\n \n new_positions = []\n in_target_pos = False\n \n for line in target_lines:\n line_upper = line.strip().upper()\n \n if line_upper.startswith('ATOMIC_POSITIONS'):\n in_target_pos = True\n new_positions.append(line)\n continue\n \n if in_target_pos:\n if any(line_upper.startswith(kw) for kw in qe_keywords):\n break\n if line.strip(): # Keep the coordinate lines\n new_positions.append(line)\n\n # 3. Sandwich the new coordinates inside your original baseline settings\n if new_positions:\n with open(target_file, 'w') as f:\n f.writelines(pre_positions)\n f.write(\"\\n\")\n f.writelines(new_positions)\n f.write(\"\\n\")\n f.writelines(post_positions)\n print(f\"Successfully applied baseline settings to: {target_file}\")\n else:\n print(f\"Skipped: Could not find coordinates in {target_file}\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy-init -d --qe --dim=\"1 1 1\" -c input.in","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!rm -rf supercell-*.in\n!rm -rf supercell.in","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy --qe -f supercell-[0-9][0-9][0-9].out","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!touch mesh.conf\nwith open(\"mesh.conf\", \"w\") as f:\n f.write(\"ATOM_NAME = C N F O H\\n\")\n f.write(\"DIM = 1 1 1\\n\")\n f.write(\"MESH = 1 1 1\\n\")\n f.write(\"FORCE_SETS = READ\\n\")\n\nprint(\"mesh.conf has been created successfully.\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy --qe -c input.in -p mesh.conf","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!cat mesh.yaml","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Used to create molecular dynamics setup. Can be extremely sensitive.","metadata":{}},{"cell_type":"code","source":"def xyz_to_qe(xyz_file, output=\"input.in\", mode='cp'):\n with open(xyz_file, \"r\", encoding=\"utf-8\") as f:\n lines = f.readlines()\n\n nat = int(lines[0].strip())\n coords = lines[2:2 + nat]\n atoms = []\n species_ordered = []\n\n for line in coords:\n parts = line.split()\n el, x, y, z = parts[:4]\n atoms.append((el, float(x)+10.0, float(y)+10.0, float(z)+10.0))\n if el not in species_ordered: species_ordered.append(el)\n\n pseudo_map = {el: download_pseudo(el) for el in species_ordered}\n\n with open(output, \"w\", encoding=\"ascii\", newline=\"\\n\") as f:\n # --- 1. CONTROL ---\n # Stripped to the absolute bare minimums\n f.write(\"&CONTROL\\n\")\n f.write(\" calculation = 'cp',\\n\")\n f.write(\" restart_mode = 'from_scratch',\\n\")\n f.write(\" prefix = 'tesseract',\\n\")\n f.write(\" pseudo_dir = './pseudo/',\\n\")\n f.write(\" outdir = './tmp/',\\n\")\n f.write(\" dt = 5.0,\\n\")\n f.write(\" nstep = 500,\\n\")\n f.write(\" ndr = 51,\\n\")\n f.write(\" ndw = 51\\n\") # Removed TQR\n f.write(\"/\\n\\n\")\n\n # --- 2. SYSTEM ---\n f.write(\"&SYSTEM\\n\")\n f.write(f\" ibrav = 0, nat = {nat}, ntyp = {len(species_ordered)},\\n\")\n f.write(\" ecutwfc = 65.0,\\n\")\n f.write(\" ecutrho = 260.0,\\n\")\n f.write(\" input_dft = 'PBE',\\n\")\n f.write(\" nosym = .true.\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 3. ELECTRONS ---\n f.write(\"&ELECTRONS\\n\")\n f.write(\" electron_dynamics = 'damp',\\n\")\n f.write(\" electron_damping = 0.1,\\n\")\n f.write(\" emass = 400.0,\\n\")\n f.write(\" emass_cutoff = 2.5\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 4. IONS ---\n f.write(\"&IONS\\n\")\n f.write(\" ion_dynamics = 'none'\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 5. ATOMIC DATA ---\n f.write(\"ATOMIC_SPECIES\\n\")\n for el in species_ordered:\n f.write(f\"{el:>3} {masses.get(el, 1.0):10.5f} {pseudo_map[el]}\\n\")\n\n f.write(\"\\nATOMIC_POSITIONS angstrom\\n\")\n for el, x, y, z in atoms:\n f.write(f\"{el:>3} {x:12.8f} {y:12.8f} {z:12.8f}\\n\")\n \n f.write(\"\\nCELL_PARAMETERS angstrom\\n\")\n f.write(\"20.0 0.0 0.0\\n0.0 20.0 0.0\\n0.0 0.0 20.0\\n\")\n\n print(f\"✅ Clean CP Input ready: {output}\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"NASA CEA Propellant checker","metadata":{}},{"cell_type":"code","source":"from rocketcea.cea_obj import CEA_Obj\nfrom rocketcea import cea_obj\n\n# 1. Define your custom monopropellant card\n# Format: 'ChemicalFormula', Enthalpy(kJ/mol), Density(g/cc, optional)\n# Swap C12H12N12O12F2 with your EXACT atom counts from your QE file.\n# Swap -500.0 with your calculated Heat of Formation in kJ/mol.\n\ncard_str = \"\"\"\nfuel MyCustomPropellant C 12 H 6 N 14 O 10 F 2 wt=100.0\nh,kj/mol=-500.0 t(k)=298.15\n\"\"\"\n\n# 2. Inject it into RocketCEA's internal dictionary\ncea_obj.add_new_fuel('MyCustomPropellant', card_str)\n\n# 3. Create the CEA Object\n# For a monopropellant, we name it as the fuel, and just pick a dummy oxidizer (like LOX)\n# because we will set the Mixture Ratio to 0.0 anyway.\nispObj = CEA_Obj(oxName=\"LOX\", fuelName=\"MyCustomPropellant\")\n\n# 4. Pull the juicy metrics\n# Pc = Chamber Pressure (psia) -> 1000.0 is industry standard for screening\n# eps = Nozzle Expansion Area Ratio -> 40.0 is standard for vacuum screening\n# MR = Mixture Ratio -> MUST BE 0.0 for a monopropellant (it burns itself)\nPc = 1000.0\neps = 40.0\nMR = 0.0\n\n# This single function pulls Vacuum Isp, C-Star (characteristic velocity), and Combustion Temp\nIspVac, Cstar, Tcomb = ispObj.get_IvacCstrTc(Pc=Pc, MR=MR, eps=eps)\n\n# Grab the average Molecular Weight and Gamma (ratio of specific heats) of the chamber exhaust gases\n_, _, _, mw_exhaust, gamma = ispObj.get_IvacCstrTc_ChmMwGam(Pc=Pc, MR=MR, eps=eps)\n\n# 5. Print the payload\nprint(\"=================== PROPELLANT PERFORMANCE ===================\")\nprint(f\"Vacuum Isp : {IspVac:.2f} seconds\")\nprint(f\"Combustion Temp (Tc) : {Tcomb:.2f} Rankine ({(Tcomb - 459.67) * 5/9 + 273.15:.2f} K)\")\nprint(f\"C-Star (Velocity) : {Cstar:.2f} ft/s\")\nprint(f\"Exhaust Mol Weight : {mw_exhaust:.2f} g/mol\")\nprint(f\"Chamber Gamma : {gamma:.4f}\")\nprint(\"==============================================================\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null}]} \ No newline at end of file +{"metadata":{"kernelspec":{"language":"python","display_name":"Python 3","name":"python3"},"language_info":{"name":"python","version":"3.12.12","mimetype":"text/x-python","codemirror_mode":{"name":"ipython","version":3},"pygments_lexer":"ipython3","nbconvert_exporter":"python","file_extension":".py"},"kaggle":{"accelerator":"gpu","dataSources":[{"sourceType":"datasetVersion","sourceId":15490887},{"sourceType":"datasetVersion","sourceId":15564737},{"sourceType":"datasetVersion","sourceId":15654163},{"sourceType":"datasetVersion","sourceId":15660946},{"sourceType":"datasetVersion","sourceId":15664593},{"sourceType":"datasetVersion","sourceId":15664603},{"sourceType":"datasetVersion","sourceId":15809101},{"sourceType":"datasetVersion","sourceId":17784416},{"sourceType":"datasetVersion","sourceId":18918875}],"isInternetEnabled":true,"language":"python","sourceType":"notebook","isGpuEnabled":false}},"nbformat_minor":4,"nbformat":4,"cells":[{"cell_type":"markdown","source":"# Quantum ESPRESSO installation guide on Python for P100 GPU","metadata":{}},{"cell_type":"markdown","source":"## 1. Install Dependencies","metadata":{}},{"cell_type":"code","source":"%%bash\napt-get update\napt-get install -y build-essential wget \\\n libfftw3-dev libblas-dev liblapack-dev \\\n libscalapack-mpi-dev libopenmpi-dev openmpi-bin\napt-get install -y libxc-dev libxc9\npip install numpy scipy pyyaml matplotlib phonopy ase cclib","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-17T04:11:32.897716Z","iopub.execute_input":"2026-08-17T04:11:32.898591Z","iopub.status.idle":"2026-08-17T04:12:04.006324Z","shell.execute_reply.started":"2026-08-17T04:11:32.898521Z","shell.execute_reply":"2026-08-17T04:12:04.005721Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Get:1 https://cloud.r-project.org/bin/linux/ubuntu jammy-cran40/ InRelease [3,632 B]\nGet:2 https://cli.github.com/packages stable InRelease [3,917 B]\nGet:3 https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64 InRelease [1,578 B]\nGet:4 https://cli.github.com/packages stable/main amd64 Packages [356 B]\nGet:5 https://r2u.stat.illinois.edu/ubuntu jammy InRelease [6,555 B]\nGet:6 http://security.ubuntu.com/ubuntu jammy-security InRelease [129 kB]\nGet:7 https://cloud.r-project.org/bin/linux/ubuntu jammy-cran40/ Packages [107 kB]\nHit:8 http://archive.ubuntu.com/ubuntu jammy InRelease\nGet:9 https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64 Packages [2,908 kB]\nGet:10 http://archive.ubuntu.com/ubuntu jammy-updates InRelease [128 kB]\nGet:11 https://r2u.stat.illinois.edu/ubuntu jammy/main all Packages [10.7 MB]\nGet:12 https://ppa.launchpadcontent.net/deadsnakes/ppa/ubuntu jammy InRelease [18.1 kB]\nHit:13 https://ppa.launchpadcontent.net/graphics-drivers/ppa/ubuntu jammy InRelease\nGet:14 http://security.ubuntu.com/ubuntu jammy-security/restricted amd64 Packages [7,557 kB]\nHit:15 https://ppa.launchpadcontent.net/ubuntugis/ppa/ubuntu jammy InRelease\nGet:16 http://archive.ubuntu.com/ubuntu jammy-backports InRelease [127 kB]\nGet:17 https://r2u.stat.illinois.edu/ubuntu jammy/main amd64 Packages [3,164 kB]\nGet:18 https://ppa.launchpadcontent.net/deadsnakes/ppa/ubuntu jammy/main amd64 Packages [44.3 kB]\nGet:19 http://archive.ubuntu.com/ubuntu jammy-updates/main amd64 Packages [4,532 kB]\nGet:20 http://security.ubuntu.com/ubuntu jammy-security/universe amd64 Packages [1,314 kB]\nGet:21 http://security.ubuntu.com/ubuntu jammy-security/main amd64 Packages [4,199 kB]\nGet:22 http://security.ubuntu.com/ubuntu jammy-security/multiverse amd64 Packages [84.1 kB]\nGet:23 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 Packages [1,616 kB]\nGet:24 http://archive.ubuntu.com/ubuntu jammy-updates/restricted amd64 Packages [7,848 kB]\nGet:25 http://archive.ubuntu.com/ubuntu jammy-updates/multiverse amd64 Packages [92.7 kB]\nGet:26 http://archive.ubuntu.com/ubuntu jammy-backports/main amd64 Packages [82.8 kB]\nGet:27 http://archive.ubuntu.com/ubuntu jammy-backports/universe amd64 Packages [35.6 kB]\nFetched 44.7 MB in 3s (13.3 MB/s)\nReading package lists...\nReading package lists...\nBuilding dependency tree...\nReading state information...\nbuild-essential is already the newest version (12.9ubuntu3).\nliblapack-dev is already the newest version (3.10.0-2ubuntu1).\nlibopenmpi-dev is already the newest version (4.1.2-2ubuntu1).\nlibopenmpi-dev set to manually installed.\nlibscalapack-mpi-dev is already the newest version (2.1.0-4).\nlibscalapack-mpi-dev set to manually installed.\nopenmpi-bin is already the newest version (4.1.2-2ubuntu1).\nopenmpi-bin set to manually installed.\nThe following additional packages will be installed:\n libfftw3-bin libfftw3-long3 libfftw3-quad3 libfftw3-single3\nSuggested packages:\n liblapack-doc libfftw3-doc\nThe following NEW packages will be installed:\n libblas-dev libfftw3-bin libfftw3-dev libfftw3-long3 libfftw3-quad3\n libfftw3-single3\nThe following packages will be upgraded:\n wget\n1 upgraded, 6 newly installed, 0 to remove and 305 not upgraded.\nNeed to get 4,387 kB of archives.\nAfter this operation, 23.5 MB of additional disk space will be used.\nGet:1 http://archive.ubuntu.com/ubuntu jammy-updates/main amd64 wget amd64 1.21.2-2ubuntu1.4 [339 kB]\nGet:2 http://archive.ubuntu.com/ubuntu jammy/main amd64 libblas-dev amd64 3.10.0-2ubuntu1 [164 kB]\nGet:3 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-long3 amd64 3.3.8-2ubuntu8 [335 kB]\nGet:4 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-quad3 amd64 3.3.8-2ubuntu8 [614 kB]\nGet:5 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-single3 amd64 3.3.8-2ubuntu8 [800 kB]\nGet:6 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-bin amd64 3.3.8-2ubuntu8 [35.5 kB]\nGet:7 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-dev amd64 3.3.8-2ubuntu8 [2,101 kB]\nFetched 4,387 kB in 2s (2,649 kB/s)\n(Reading database ... 124626 files and directories currently installed.)\nPreparing to unpack .../0-wget_1.21.2-2ubuntu1.4_amd64.deb ...\nUnpacking wget (1.21.2-2ubuntu1.4) over (1.21.2-2ubuntu1.1) ...\nSelecting previously unselected package libblas-dev:amd64.\nPreparing to unpack .../1-libblas-dev_3.10.0-2ubuntu1_amd64.deb ...\nUnpacking libblas-dev:amd64 (3.10.0-2ubuntu1) ...\nSelecting previously unselected package libfftw3-long3:amd64.\nPreparing to unpack .../2-libfftw3-long3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-long3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-quad3:amd64.\nPreparing to unpack .../3-libfftw3-quad3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-quad3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-single3:amd64.\nPreparing to unpack .../4-libfftw3-single3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-single3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-bin.\nPreparing to unpack .../5-libfftw3-bin_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-bin (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-dev:amd64.\nPreparing to unpack .../6-libfftw3-dev_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-dev:amd64 (3.3.8-2ubuntu8) ...\nSetting up libfftw3-single3:amd64 (3.3.8-2ubuntu8) ...\nSetting up wget (1.21.2-2ubuntu1.4) ...\nSetting up libfftw3-long3:amd64 (3.3.8-2ubuntu8) ...\nSetting up libfftw3-quad3:amd64 (3.3.8-2ubuntu8) ...\nSetting up libblas-dev:amd64 (3.10.0-2ubuntu1) ...\nSetting up libfftw3-bin (3.3.8-2ubuntu8) ...\nSetting up libfftw3-dev:amd64 (3.3.8-2ubuntu8) ...\nProcessing triggers for man-db (2.10.2-1) ...\nProcessing triggers for libc-bin (2.35-0ubuntu3.8) ...\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_5.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero_v2.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_0.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_loader.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbb.so.12 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libumf.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm_debug.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_opencl.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc_proxy.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libhwloc.so.15 is not a symbolic link\n\nReading package lists...\nBuilding dependency tree...\nReading state information...\nThe following NEW packages will be installed:\n libxc-dev libxc9\n0 upgraded, 2 newly installed, 0 to remove and 305 not upgraded.\nNeed to get 11.9 MB of archives.\nAfter this operation, 41.2 MB of additional disk space will be used.\nGet:1 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libxc9 amd64 5.1.7-1ubuntu1 [3,900 kB]\nGet:2 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libxc-dev amd64 5.1.7-1ubuntu1 [8,038 kB]\nFetched 11.9 MB in 2s (5,804 kB/s)\nSelecting previously unselected package libxc9:amd64.\n(Reading database ... 124727 files and directories currently installed.)\nPreparing to unpack .../libxc9_5.1.7-1ubuntu1_amd64.deb ...\nUnpacking libxc9:amd64 (5.1.7-1ubuntu1) ...\nSelecting previously unselected package libxc-dev.\nPreparing to unpack .../libxc-dev_5.1.7-1ubuntu1_amd64.deb ...\nUnpacking libxc-dev (5.1.7-1ubuntu1) ...\nSetting up libxc9:amd64 (5.1.7-1ubuntu1) ...\nSetting up libxc-dev (5.1.7-1ubuntu1) ...\nProcessing triggers for libc-bin (2.35-0ubuntu3.8) ...\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_5.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero_v2.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_0.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_loader.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbb.so.12 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libumf.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm_debug.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_opencl.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc_proxy.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libhwloc.so.15 is not a symbolic link\n\nRequirement already satisfied: numpy in /usr/local/lib/python3.12/dist-packages (2.0.2)\nRequirement already satisfied: scipy in /usr/local/lib/python3.12/dist-packages (1.16.3)\nRequirement already satisfied: pyyaml in /usr/local/lib/python3.12/dist-packages (6.0.3)\nRequirement already satisfied: matplotlib in /usr/local/lib/python3.12/dist-packages (3.10.0)\nCollecting phonopy\n Downloading phonopy-4.4.0-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl.metadata (3.7 kB)\nCollecting ase\n Downloading ase-3.29.0-py3-none-any.whl.metadata (4.4 kB)\nCollecting cclib\n Downloading cclib-1.8.1-py3-none-any.whl.metadata (4.7 kB)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (1.4.9)\nRequirement already satisfied: packaging>=20.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (26.0)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (2.9.0.post0)\nRequirement already satisfied: h5py>=3.0 in /usr/local/lib/python3.12/dist-packages (from phonopy) (3.15.1)\nCollecting spglib>=2.5 (from phonopy)\n Downloading spglib-2.7.0-cp312-cp312-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl.metadata (4.2 kB)\nCollecting symfc>=1.7 (from phonopy)\n Downloading symfc-1.7.3-py3-none-any.whl.metadata (2.1 kB)\nCollecting phonors>=0.3.0 (from phonopy)\n Downloading phonors-0.3.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (2.6 kB)\nRequirement already satisfied: typing_extensions>=4.13.1 in /usr/local/lib/python3.12/dist-packages (from ase) (4.15.0)\nCollecting periodictable (from cclib)\n Downloading periodictable-2.1.0-py3-none-any.whl.metadata (5.2 kB)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib) (1.17.0)\nDownloading phonopy-4.4.0-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl (851 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 851.0/851.0 kB 17.1 MB/s eta 0:00:00\nDownloading ase-3.29.0-py3-none-any.whl (3.0 MB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 3.0/3.0 MB 78.3 MB/s eta 0:00:00\nDownloading cclib-1.8.1-py3-none-any.whl (353 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 353.6/353.6 kB 26.1 MB/s eta 0:00:00\nDownloading phonors-0.3.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.5 MB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.5/1.5 MB 64.3 MB/s eta 0:00:00\nDownloading spglib-2.7.0-cp312-cp312-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl (962 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 962.5/962.5 kB 57.5 MB/s eta 0:00:00\nDownloading symfc-1.7.3-py3-none-any.whl (114 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 114.9/114.9 kB 9.6 MB/s eta 0:00:00\nDownloading periodictable-2.1.0-py3-none-any.whl (830 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 830.7/830.7 kB 39.9 MB/s eta 0:00:00\nInstalling collected packages: spglib, phonors, periodictable, symfc, cclib, phonopy, ase\nSuccessfully installed ase-3.29.0 cclib-1.8.1 periodictable-2.1.0 phonopy-4.4.0 phonors-0.3.0 spglib-2.7.0 symfc-1.7.3\n","output_type":"stream"},{"name":"stderr","text":"W: Skipping acquire of configured file 'main/source/Sources' as repository 'https://r2u.stat.illinois.edu/ubuntu jammy InRelease' does not seem to provide it (sources.list entry misspelt?)\n","output_type":"stream"}],"execution_count":1},{"cell_type":"markdown","source":"## 2. Download Quantum ESPRESSO and NVFORTRAN/NVHPC SDK","metadata":{}},{"cell_type":"markdown","source":"Will take ~15-17 GiB of output space, ensure there is enough storage","metadata":{}},{"cell_type":"code","source":"!cd \n!wget https://github.com/QEF/q-e/archive/refs/tags/qe-7.6.tar.gz\n!tar -xvf qe-7.6.tar.gz\n!rm -rf /kaggle/working/qe-7.6.tar.gz\n%cd q-e-qe-7.6","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T04:12:04.007736Z","iopub.execute_input":"2026-08-17T04:12:04.007948Z","iopub.status.idle":"2026-08-17T04:12:14.372696Z","shell.execute_reply.started":"2026-08-17T04:12:04.007927Z","shell.execute_reply":"2026-08-17T04:12:14.371403Z"}},"outputs":[{"name":"stdout","text":"--2026-08-17 04:12:04-- https://github.com/QEF/q-e/archive/refs/tags/qe-7.6.tar.gz\nResolving github.com (github.com)... 140.82.116.3\nConnecting to github.com (github.com)|140.82.116.3|:443... connected.\nHTTP request sent, awaiting response... 302 Found\nLocation: https://codeload.github.com/QEF/q-e/tar.gz/refs/tags/qe-7.6 [following]\n--2026-08-17 04:12:04-- https://codeload.github.com/QEF/q-e/tar.gz/refs/tags/qe-7.6\nResolving codeload.github.com (codeload.github.com)... 20.29.134.24\nConnecting to codeload.github.com (codeload.github.com)|20.29.134.24|:443... connected.\nHTTP request sent, awaiting response... 200 OK\nLength: unspecified [application/x-gzip]\nSaving to: ‘qe-7.6.tar.gz’\n\nqe-7.6.tar.gz [ <=> ] 83.63M 12.8MB/s in 7.4s \n\n2026-08-17 04:12:12 (11.3 MB/s) - ‘qe-7.6.tar.gz’ saved [87688909]\n\nq-e-qe-7.6/\nq-e-qe-7.6/.ci/\nq-e-qe-7.6/.ci/cineca.yml\nq-e-qe-7.6/.cmake-format\nq-e-qe-7.6/.editorconfig\nq-e-qe-7.6/.github/\nq-e-qe-7.6/.github/pull_request_template.md\nq-e-qe-7.6/.gitignore\nq-e-qe-7.6/.gitlab-ci-main.yml\nq-e-qe-7.6/.gitlab-ci-version-consistency.yml\nq-e-qe-7.6/.gitlab-ci.yml\nq-e-qe-7.6/.gitmodules\nq-e-qe-7.6/.travis.yml\nq-e-qe-7.6/CMakeLists.txt\nq-e-qe-7.6/CONTRIBUTING.md\nq-e-qe-7.6/COUPLE/\nq-e-qe-7.6/COUPLE/CMakeLists.txt\nq-e-qe-7.6/COUPLE/Makefile\nq-e-qe-7.6/COUPLE/README\nq-e-qe-7.6/COUPLE/examples/\nq-e-qe-7.6/COUPLE/examples/Makefile.gfortran\nq-e-qe-7.6/COUPLE/examples/Makefile.ifort\nq-e-qe-7.6/COUPLE/examples/README\nq-e-qe-7.6/COUPLE/examples/c2cp.cpp\nq-e-qe-7.6/COUPLE/examples/c2pw.cpp\nq-e-qe-7.6/COUPLE/examples/f2cp.f90\nq-e-qe-7.6/COUPLE/examples/f2pw.f90\nq-e-qe-7.6/COUPLE/include/\nq-e-qe-7.6/COUPLE/include/libqecouple.h\nq-e-qe-7.6/COUPLE/src/\nq-e-qe-7.6/COUPLE/src/Makefile\nq-e-qe-7.6/COUPLE/src/libcpv.f90\nq-e-qe-7.6/COUPLE/src/libpwscf.f90\nq-e-qe-7.6/COUPLE/src/libqemod.f90\nq-e-qe-7.6/COUPLE/tests/\nq-e-qe-7.6/COUPLE/tests/check-couple.j\nq-e-qe-7.6/COUPLE/tests/clean_all\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-0.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-16.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-2.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-4.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-0.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-16.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-2.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-4.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.in\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-0.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-16.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-2.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-4.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-0.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-16.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-2.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-4.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.in\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-0.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-16.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-2.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-4.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-0.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-16.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-2.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-4.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.in\nq-e-qe-7.6/CPV/\nq-e-qe-7.6/CPV/CMakeLists.txt\nq-e-qe-7.6/CPV/Doc/\nq-e-qe-7.6/CPV/Doc/INPUT_CP.def\nq-e-qe-7.6/CPV/Doc/INPUT_CPPP.def\nq-e-qe-7.6/CPV/Doc/INPUT_WFDD\nq-e-qe-7.6/CPV/Doc/Makefile\nq-e-qe-7.6/CPV/Doc/autopilot_guide.md\nq-e-qe-7.6/CPV/Doc/pandoc_template.html\nq-e-qe-7.6/CPV/Doc/pandoc_template.tex\nq-e-qe-7.6/CPV/Doc/tp.tex\nq-e-qe-7.6/CPV/Doc/user_guide.md\nq-e-qe-7.6/CPV/Ford.md\nq-e-qe-7.6/CPV/Ford/\nq-e-qe-7.6/CPV/Ford/index.md\nq-e-qe-7.6/CPV/Makefile\nq-e-qe-7.6/CPV/examples/\nq-e-qe-7.6/CPV/examples/EXX-wf-example/\nq-e-qe-7.6/CPV/examples/EXX-wf-example/01.input\nq-e-qe-7.6/CPV/examples/EXX-wf-example/01.out\nq-e-qe-7.6/CPV/examples/EXX-wf-example/02.input\nq-e-qe-7.6/CPV/examples/EXX-wf-example/02.out\nq-e-qe-7.6/CPV/examples/EXX-wf-example/H_HSCV_PBE-1.0.UPF\nq-e-qe-7.6/CPV/examples/EXX-wf-example/O_HSCV_PBE-1.0.UPF\nq-e-qe-7.6/CPV/examples/EXX-wf-example/README-Parallelization\nq-e-qe-7.6/CPV/examples/EXX-wf-example/README-example\nq-e-qe-7.6/CPV/examples/EXX-wf-example/example-job-script\nq-e-qe-7.6/CPV/examples/Extffield_example/\nq-e-qe-7.6/CPV/examples/Extffield_example/README\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.extffield\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.inp1\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.inp2\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.out1\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.out2\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/extffield.dat\nq-e-qe-7.6/CPV/examples/Extffield_example/run_example\nq-e-qe-7.6/CPV/examples/README\nq-e-qe-7.6/CPV/examples/Restart_example/\nq-e-qe-7.6/CPV/examples/Restart_example/README\nq-e-qe-7.6/CPV/examples/Restart_example/reference/\nq-e-qe-7.6/CPV/examples/Restart_example/reference/sio2.cp.restart.out\nq-e-qe-7.6/CPV/examples/Restart_example/reference/sio2.cp.start.out\nq-e-qe-7.6/CPV/examples/Restart_example/reference/sio2.pw.restart.out\nq-e-qe-7.6/CPV/examples/Restart_example/run_example\nq-e-qe-7.6/CPV/examples/autopilot-example/\nq-e-qe-7.6/CPV/examples/autopilot-example/reference/\nq-e-qe-7.6/CPV/examples/autopilot-example/reference/water.autopilot.out\nq-e-qe-7.6/CPV/examples/autopilot-example/run_example_water\nq-e-qe-7.6/CPV/examples/example01/\nq-e-qe-7.6/CPV/examples/example01/README\nq-e-qe-7.6/CPV/examples/example01/reference/\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.cp.restart.out\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.cp.start.out\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.vc-cp.out\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.vc-cp.restart.out\nq-e-qe-7.6/CPV/examples/example01/run_example\nq-e-qe-7.6/CPV/examples/example02/\nq-e-qe-7.6/CPV/examples/example02/README\nq-e-qe-7.6/CPV/examples/example02/reference/\nq-e-qe-7.6/CPV/examples/example02/reference/h2o-mol1.out\nq-e-qe-7.6/CPV/examples/example02/reference/h2o-mol2.out\nq-e-qe-7.6/CPV/examples/example02/reference/h2o-mol3.out\nq-e-qe-7.6/CPV/examples/example02/run_example\nq-e-qe-7.6/CPV/examples/example03/\nq-e-qe-7.6/CPV/examples/example03/README\nq-e-qe-7.6/CPV/examples/example03/reference/\nq-e-qe-7.6/CPV/examples/example03/reference/nh3.out\nq-e-qe-7.6/CPV/examples/example03/run_example\nq-e-qe-7.6/CPV/examples/example04/\nq-e-qe-7.6/CPV/examples/example04/README\nq-e-qe-7.6/CPV/examples/example04/reference/\nq-e-qe-7.6/CPV/examples/example04/reference/h2o-32.out\nq-e-qe-7.6/CPV/examples/example04/reference/h2o-64.out\nq-e-qe-7.6/CPV/examples/example04/run_example\nq-e-qe-7.6/CPV/examples/example05/\nq-e-qe-7.6/CPV/examples/example05/README\nq-e-qe-7.6/CPV/examples/example05/reference/\nq-e-qe-7.6/CPV/examples/example05/reference/h2o.efield.out\nq-e-qe-7.6/CPV/examples/example05/reference/h2o.wannier.out\nq-e-qe-7.6/CPV/examples/example05/run_example\nq-e-qe-7.6/CPV/examples/example06/\nq-e-qe-7.6/CPV/examples/example06/README\nq-e-qe-7.6/CPV/examples/example06/reference/\nq-e-qe-7.6/CPV/examples/example06/reference/h2o.scf.out\nq-e-qe-7.6/CPV/examples/example06/reference/h2o.wannier.out\nq-e-qe-7.6/CPV/examples/example06/run_example\nq-e-qe-7.6/CPV/examples/example07/\nq-e-qe-7.6/CPV/examples/example07/README\nq-e-qe-7.6/CPV/examples/example07/reference/\nq-e-qe-7.6/CPV/examples/example07/reference/c4h6.cp.metaGGA.out\nq-e-qe-7.6/CPV/examples/example07/reference/c4h6.pw.metaGGA.out\nq-e-qe-7.6/CPV/examples/example07/run_example\nq-e-qe-7.6/CPV/examples/example08/\nq-e-qe-7.6/CPV/examples/example08/README\nq-e-qe-7.6/CPV/examples/example08/reference/\nq-e-qe-7.6/CPV/examples/example08/reference/si2.ensemble-dyn.out\nq-e-qe-7.6/CPV/examples/example08/run_example\nq-e-qe-7.6/CPV/examples/example09/\nq-e-qe-7.6/CPV/examples/example09/README\nq-e-qe-7.6/CPV/examples/example09/reference/\nq-e-qe-7.6/CPV/examples/example09/reference/mgo.cp.cg.efield.out\nq-e-qe-7.6/CPV/examples/example09/reference/mgo.cp.cg.out\nq-e-qe-7.6/CPV/examples/example09/reference/mgo.cp.damp.efield.out\nq-e-qe-7.6/CPV/examples/example09/run_example\nq-e-qe-7.6/CPV/src/\nq-e-qe-7.6/CPV/src/Makefile\nq-e-qe-7.6/CPV/src/berryion.f90\nq-e-qe-7.6/CPV/src/bforceion.f90\nq-e-qe-7.6/CPV/src/cg.f90\nq-e-qe-7.6/CPV/src/cg_sub.f90\nq-e-qe-7.6/CPV/src/chargedensity.f90\nq-e-qe-7.6/CPV/src/cp_autopilot.f90\nq-e-qe-7.6/CPV/src/cp_control.f90\nq-e-qe-7.6/CPV/src/cp_emass.f90\nq-e-qe-7.6/CPV/src/cp_interfaces.f90\nq-e-qe-7.6/CPV/src/cp_restart_new.f90\nq-e-qe-7.6/CPV/src/cp_wavefunctions.f90\nq-e-qe-7.6/CPV/src/cplib.f90\nq-e-qe-7.6/CPV/src/cplib_meta.f90\nq-e-qe-7.6/CPV/src/cppp.f90\nq-e-qe-7.6/CPV/src/cpr.f90\nq-e-qe-7.6/CPV/src/cpr_loop.f90\nq-e-qe-7.6/CPV/src/cpr_mod.f90\nq-e-qe-7.6/CPV/src/cprstart.f90\nq-e-qe-7.6/CPV/src/dealloc.f90\nq-e-qe-7.6/CPV/src/dforceb.f90\nq-e-qe-7.6/CPV/src/efermi.f90\nq-e-qe-7.6/CPV/src/efield.f90\nq-e-qe-7.6/CPV/src/eigs0.f90\nq-e-qe-7.6/CPV/src/electrons.f90\nq-e-qe-7.6/CPV/src/electrons_nose.f90\nq-e-qe-7.6/CPV/src/energies.f90\nq-e-qe-7.6/CPV/src/ensemble_dft.f90\nq-e-qe-7.6/CPV/src/entropy.f90\nq-e-qe-7.6/CPV/src/environ_cp_module.f90\nq-e-qe-7.6/CPV/src/exch_corr.f90\nq-e-qe-7.6/CPV/src/exx_cg.f90\nq-e-qe-7.6/CPV/src/exx_es.f90\nq-e-qe-7.6/CPV/src/exx_gs.f90\nq-e-qe-7.6/CPV/src/exx_module.f90\nq-e-qe-7.6/CPV/src/exx_pair.f90\nq-e-qe-7.6/CPV/src/exx_psi.f90\nq-e-qe-7.6/CPV/src/exx_vofr.f90\nq-e-qe-7.6/CPV/src/forces.f90\nq-e-qe-7.6/CPV/src/fromscra.f90\nq-e-qe-7.6/CPV/src/gram.f90\nq-e-qe-7.6/CPV/src/gtable.f90\nq-e-qe-7.6/CPV/src/init.f90\nq-e-qe-7.6/CPV/src/init_run.f90\nq-e-qe-7.6/CPV/src/inner_loop_cold.f90\nq-e-qe-7.6/CPV/src/input.f90\nq-e-qe-7.6/CPV/src/ions_positions.f90\nq-e-qe-7.6/CPV/src/ksstates.f90\nq-e-qe-7.6/CPV/src/ldaU.f90\nq-e-qe-7.6/CPV/src/ldaU_cp.f90\nq-e-qe-7.6/CPV/src/ldaUpen.f90\nq-e-qe-7.6/CPV/src/mainvar.f90\nq-e-qe-7.6/CPV/src/manycp.f90\nq-e-qe-7.6/CPV/src/metaxc.f90\nq-e-qe-7.6/CPV/src/modules.f90\nq-e-qe-7.6/CPV/src/move_electrons.f90\nq-e-qe-7.6/CPV/src/newd.f90\nq-e-qe-7.6/CPV/src/nl_base.f90\nq-e-qe-7.6/CPV/src/nlcc.f90\nq-e-qe-7.6/CPV/src/ortho.f90\nq-e-qe-7.6/CPV/src/ortho_base.f90\nq-e-qe-7.6/CPV/src/phasefactor.f90\nq-e-qe-7.6/CPV/src/plugin_add_potential.f90\nq-e-qe-7.6/CPV/src/plugin_clean.f90\nq-e-qe-7.6/CPV/src/plugin_clock.f90\nq-e-qe-7.6/CPV/src/plugin_energy.f90\nq-e-qe-7.6/CPV/src/plugin_ext_forces.f90\nq-e-qe-7.6/CPV/src/plugin_get_potential.f90\nq-e-qe-7.6/CPV/src/plugin_init_base.f90\nq-e-qe-7.6/CPV/src/plugin_init_cell.f90\nq-e-qe-7.6/CPV/src/plugin_init_ions.f90\nq-e-qe-7.6/CPV/src/plugin_initialization.f90\nq-e-qe-7.6/CPV/src/plugin_int_forces.f90\nq-e-qe-7.6/CPV/src/plugin_print_energies.f90\nq-e-qe-7.6/CPV/src/plugin_print_info.f90\nq-e-qe-7.6/CPV/src/plugin_read_input.f90\nq-e-qe-7.6/CPV/src/plugin_utilities.f90\nq-e-qe-7.6/CPV/src/potentials.f90\nq-e-qe-7.6/CPV/src/pres_ai_mod.f90\nq-e-qe-7.6/CPV/src/print_out.f90\nq-e-qe-7.6/CPV/src/problem_size.f90\nq-e-qe-7.6/CPV/src/pseudo_base.f90\nq-e-qe-7.6/CPV/src/pseudopot.f90\nq-e-qe-7.6/CPV/src/pseudopot_sub.f90\nq-e-qe-7.6/CPV/src/qmatrixd.f90\nq-e-qe-7.6/CPV/src/qqberry.f90\nq-e-qe-7.6/CPV/src/restart.f90\nq-e-qe-7.6/CPV/src/restart_sub.f90\nq-e-qe-7.6/CPV/src/runcp.f90\nq-e-qe-7.6/CPV/src/sic.f90\nq-e-qe-7.6/CPV/src/smallbox.f90\nq-e-qe-7.6/CPV/src/smallbox_grid.f90\nq-e-qe-7.6/CPV/src/smallbox_gvec.f90\nq-e-qe-7.6/CPV/src/smallbox_lib.f90\nq-e-qe-7.6/CPV/src/smallbox_subs.f90\nq-e-qe-7.6/CPV/src/spinsq.f90\nq-e-qe-7.6/CPV/src/spline.f90\nq-e-qe-7.6/CPV/src/stop_run.f90\nq-e-qe-7.6/CPV/src/stress.f90\nq-e-qe-7.6/CPV/src/vofrho.f90\nq-e-qe-7.6/CPV/src/vol_clu.f90\nq-e-qe-7.6/CPV/src/wannier.f90\nq-e-qe-7.6/CPV/src/wannier_base.f90\nq-e-qe-7.6/CPV/src/wave.f90\nq-e-qe-7.6/CPV/src/wave_base.f90\nq-e-qe-7.6/CPV/src/wave_types.f90\nq-e-qe-7.6/CPV/src/wf.f90\nq-e-qe-7.6/CPV/src/wfdd.f90\nq-e-qe-7.6/Doc/\nq-e-qe-7.6/Doc/CMakeLists.txt\nq-e-qe-7.6/Doc/ChangeLog.cp\nq-e-qe-7.6/Doc/ChangeLog.old\nq-e-qe-7.6/Doc/ChangeLog.pw\nq-e-qe-7.6/Doc/ExternalForceFields.tex\nq-e-qe-7.6/Doc/Hubbard_input.tex\nq-e-qe-7.6/Doc/Makefile\nq-e-qe-7.6/Doc/README\nq-e-qe-7.6/Doc/brillouin_zones.tex\nq-e-qe-7.6/Doc/constraints_HOWTO.tex\nq-e-qe-7.6/Doc/html.sty\nq-e-qe-7.6/Doc/images/\nq-e-qe-7.6/Doc/images/bcc_bi.png\nq-e-qe-7.6/Doc/images/bco_1.png\nq-e-qe-7.6/Doc/images/bco_2.png\nq-e-qe-7.6/Doc/images/bco_3.png\nq-e-qe-7.6/Doc/images/bco_4.png\nq-e-qe-7.6/Doc/images/bco_5.png\nq-e-qe-7.6/Doc/images/bco_6.png\nq-e-qe-7.6/Doc/images/cubic_bi.png\nq-e-qe-7.6/Doc/images/fcc_bi.png\nq-e-qe-7.6/Doc/images/fcc_sc.png\nq-e-qe-7.6/Doc/images/hex.png\nq-e-qe-7.6/Doc/images/monob.png\nq-e-qe-7.6/Doc/images/monoc.png\nq-e-qe-7.6/Doc/images/ofc_1.png\nq-e-qe-7.6/Doc/images/ofc_10.png\nq-e-qe-7.6/Doc/images/ofc_11.png\nq-e-qe-7.6/Doc/images/ofc_12.png\nq-e-qe-7.6/Doc/images/ofc_13.png\nq-e-qe-7.6/Doc/images/ofc_14.png\nq-e-qe-7.6/Doc/images/ofc_15.png\nq-e-qe-7.6/Doc/images/ofc_16.png\nq-e-qe-7.6/Doc/images/ofc_17.png\nq-e-qe-7.6/Doc/images/ofc_18.png\nq-e-qe-7.6/Doc/images/ofc_2.png\nq-e-qe-7.6/Doc/images/ofc_3.png\nq-e-qe-7.6/Doc/images/ofc_4.png\nq-e-qe-7.6/Doc/images/ofc_5.png\nq-e-qe-7.6/Doc/images/ofc_6.png\nq-e-qe-7.6/Doc/images/ofc_7.png\nq-e-qe-7.6/Doc/images/ofc_8.png\nq-e-qe-7.6/Doc/images/ofc_9.png\nq-e-qe-7.6/Doc/images/ofco_1.png\nq-e-qe-7.6/Doc/images/ofco_2.png\nq-e-qe-7.6/Doc/images/so.png\nq-e-qe-7.6/Doc/images/st.png\nq-e-qe-7.6/Doc/images/stc1.png\nq-e-qe-7.6/Doc/images/stc2.png\nq-e-qe-7.6/Doc/images/stc2_sc.png\nq-e-qe-7.6/Doc/images/tri_1.png\nq-e-qe-7.6/Doc/images/tri_2.png\nq-e-qe-7.6/Doc/pic/\nq-e-qe-7.6/Doc/pic/hh_fes.pdf\nq-e-qe-7.6/Doc/pic/sn2_fes.pdf\nq-e-qe-7.6/Doc/pic/sn2_reaction.pdf\nq-e-qe-7.6/Doc/pic/sn2cv.pdf\nq-e-qe-7.6/Doc/pic/sn2cvs.pdf\nq-e-qe-7.6/Doc/plumed_quick_ref.tex\nq-e-qe-7.6/Doc/quantum_espresso.png\nq-e-qe-7.6/Doc/quote.tex\nq-e-qe-7.6/Doc/release-notes\nq-e-qe-7.6/Doc/user_guide.tex\nq-e-qe-7.6/EPW/\nq-e-qe-7.6/EPW/.dependencies\nq-e-qe-7.6/EPW/CMakeLists.txt\nq-e-qe-7.6/EPW/License\nq-e-qe-7.6/EPW/Makefile\nq-e-qe-7.6/EPW/README\nq-e-qe-7.6/EPW/ZG/\nq-e-qe-7.6/EPW/ZG/README\nq-e-qe-7.6/EPW/ZG/src/\nq-e-qe-7.6/EPW/ZG/src/Makefile\nq-e-qe-7.6/EPW/ZG/src/ZG.f90\nq-e-qe-7.6/EPW/ZG/src/bands_unfold.f90\nq-e-qe-7.6/EPW/ZG/src/disca.f90\nq-e-qe-7.6/EPW/ZG/src/epsilon_Gaus.f90\nq-e-qe-7.6/EPW/ZG/src/local/\nq-e-qe-7.6/EPW/ZG/src/local/JDOS.sh\nq-e-qe-7.6/EPW/ZG/src/local/JDOS_Gaus.f90\nq-e-qe-7.6/EPW/ZG/src/local/commands_bands.sh\nq-e-qe-7.6/EPW/ZG/src/local/compile_gfortran.sh\nq-e-qe-7.6/EPW/ZG/src/local/compile_ifort.sh\nq-e-qe-7.6/EPW/ZG/src/local/create_qlist.f90\nq-e-qe-7.6/EPW/ZG/src/local/epsi_av.sh\nq-e-qe-7.6/EPW/ZG/src/local/kpoints_band_str_unfold.f90\nq-e-qe-7.6/EPW/ZG/src/local/merge_bands.sh\nq-e-qe-7.6/EPW/ZG/src/local/merge_files.sh\nq-e-qe-7.6/EPW/ZG/src/local/rotate.f90\nq-e-qe-7.6/EPW/ZG/src/pp_disca.f90\nq-e-qe-7.6/EPW/ZG/src/pp_spctrlfn.f90\nq-e-qe-7.6/EPW/ZG/tutorial.tar.gz\nq-e-qe-7.6/EPW/bin/\nq-e-qe-7.6/EPW/bin/allocate.py\nq-e-qe-7.6/EPW/bin/pp-xml-depreciated.py\nq-e-qe-7.6/EPW/bin/pp.py\nq-e-qe-7.6/EPW/doc/\nq-e-qe-7.6/EPW/doc/Ford/\nq-e-qe-7.6/EPW/doc/Ford/index.md\nq-e-qe-7.6/EPW/doc/graveyard.txt\nq-e-qe-7.6/EPW/epw.md\nq-e-qe-7.6/EPW/examples/\nq-e-qe-7.6/EPW/examples/diamond/\nq-e-qe-7.6/EPW/examples/diamond/epw/\nq-e-qe-7.6/EPW/examples/diamond/epw/epw.in\nq-e-qe-7.6/EPW/examples/diamond/epw/epw2.in\nq-e-qe-7.6/EPW/examples/diamond/epw/epw3.in\nq-e-qe-7.6/EPW/examples/diamond/epw/epw4.in\nq-e-qe-7.6/EPW/examples/diamond/epw/meshes/\nq-e-qe-7.6/EPW/examples/diamond/epw/meshes/kgen.py\nq-e-qe-7.6/EPW/examples/diamond/epw/meshes/path.dat\nq-e-qe-7.6/EPW/examples/diamond/epw/nscf.in\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.H\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.P\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.dynmat\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.epmat_wanep\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.epwane\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/diam.wout\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/epw.out\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/epw2.out\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/lifetime.phself_34\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/linewidth.elself_50\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/linewidth.phself_50\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/nscf.out\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/scf.out\nq-e-qe-7.6/EPW/examples/diamond/epw/scf.in\nq-e-qe-7.6/EPW/examples/diamond/phonons/\nq-e-qe-7.6/EPW/examples/diamond/phonons/Ref/\nq-e-qe-7.6/EPW/examples/diamond/phonons/Ref/ph.out\nq-e-qe-7.6/EPW/examples/diamond/phonons/Ref/scf.out\nq-e-qe-7.6/EPW/examples/diamond/phonons/ph.in\nq-e-qe-7.6/EPW/examples/diamond/phonons/pp.py\nq-e-qe-7.6/EPW/examples/diamond/phonons/scf.in\nq-e-qe-7.6/EPW/examples/diamond/pp/\nq-e-qe-7.6/EPW/examples/diamond/pp/C_3.98148.UPF\nq-e-qe-7.6/EPW/examples/gan/\nq-e-qe-7.6/EPW/examples/gan/epw/\nq-e-qe-7.6/EPW/examples/gan/epw/epw.in\nq-e-qe-7.6/EPW/examples/gan/epw/gan_band.qpt\nq-e-qe-7.6/EPW/examples/gan/epw/nscf.in\nq-e-qe-7.6/EPW/examples/gan/epw/scf.in\nq-e-qe-7.6/EPW/examples/gan/phonons/\nq-e-qe-7.6/EPW/examples/gan/phonons/ph.in\nq-e-qe-7.6/EPW/examples/gan/phonons/pp.py\nq-e-qe-7.6/EPW/examples/gan/phonons/scf.in\nq-e-qe-7.6/EPW/examples/gan/pp/\nq-e-qe-7.6/EPW/examples/gan/pp/Ga_ONCV_LDA-1.0.upf\nq-e-qe-7.6/EPW/examples/gan/pp/N_ONCV_LDA-1.0.upf\nq-e-qe-7.6/EPW/examples/lif_elpa/\nq-e-qe-7.6/EPW/examples/lif_elpa/README.txt\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/clean.sh\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/epw1.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/epw2.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/epw3.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/nscf.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/run.sh\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/scf.in\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/ph.in\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/run.sh\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/scf.in\nq-e-qe-7.6/EPW/examples/lif_elpa/pseudo/\nq-e-qe-7.6/EPW/examples/lif_elpa/pseudo/F.upf\nq-e-qe-7.6/EPW/examples/lif_elpa/pseudo/Li.upf\nq-e-qe-7.6/EPW/examples/lif_g/\nq-e-qe-7.6/EPW/examples/lif_g/README.txt\nq-e-qe-7.6/EPW/examples/lif_g/check_g.sh\nq-e-qe-7.6/EPW/examples/lif_g/epw/\nq-e-qe-7.6/EPW/examples/lif_g/epw/clean.sh\nq-e-qe-7.6/EPW/examples/lif_g/epw/epw1.in\nq-e-qe-7.6/EPW/examples/lif_g/epw/kpoints.dat\nq-e-qe-7.6/EPW/examples/lif_g/epw/nscf.in\nq-e-qe-7.6/EPW/examples/lif_g/epw/ph.in\nq-e-qe-7.6/EPW/examples/lif_g/epw/qpoints.dat\nq-e-qe-7.6/EPW/examples/lif_g/epw/run.sh\nq-e-qe-7.6/EPW/examples/lif_g/epw/scf.in\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/clean.sh\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/ph.in\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/run.sh\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/scf.in\nq-e-qe-7.6/EPW/examples/lif_g/pseudo/\nq-e-qe-7.6/EPW/examples/lif_g/pseudo/F.upf\nq-e-qe-7.6/EPW/examples/lif_g/pseudo/Li.upf\nq-e-qe-7.6/EPW/examples/lif_hdf5/\nq-e-qe-7.6/EPW/examples/lif_hdf5/11-epsilon/\nq-e-qe-7.6/EPW/examples/lif_hdf5/11-epsilon/epsilon.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/11-epsilon/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/12-sigma/\nq-e-qe-7.6/EPW/examples/lif_hdf5/12-sigma/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/12-sigma/sigma.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/13-kernel/\nq-e-qe-7.6/EPW/examples/lif_hdf5/13-kernel/kernel.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/13-kernel/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/absorption.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/plotxct.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/summarize_eigenvectors.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/README.txt\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/epw1.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/epw2.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/epw3.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/path.kpt\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/ph.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/run.epw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/run.ph.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/scf.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/01-Density/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/01-Density/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/01-Density/scf.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/link.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/generate_ex_band.py\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/link.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/run.bse.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/kernel.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/absorption.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/pseudos/\nq-e-qe-7.6/EPW/examples/lif_hdf5/pseudos/F.upf\nq-e-qe-7.6/EPW/examples/lif_hdf5/pseudos/Li.upf\nq-e-qe-7.6/EPW/examples/lif_hdf5/run.espresso.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/setup.sh\nq-e-qe-7.6/EPW/examples/mgb2/\nq-e-qe-7.6/EPW/examples/mgb2/epw/\nq-e-qe-7.6/EPW/examples/mgb2/epw/epw.in\nq-e-qe-7.6/EPW/examples/mgb2/epw/nscf.in\nq-e-qe-7.6/EPW/examples/mgb2/epw/scf.in\nq-e-qe-7.6/EPW/examples/mgb2/phonons/\nq-e-qe-7.6/EPW/examples/mgb2/phonons/ph.in\nq-e-qe-7.6/EPW/examples/mgb2/phonons/pp.py\nq-e-qe-7.6/EPW/examples/mgb2/phonons/scf.in\nq-e-qe-7.6/EPW/examples/mgb2/pp/\nq-e-qe-7.6/EPW/examples/mgb2/pp/B.pz-vbc.UPF\nq-e-qe-7.6/EPW/examples/mgb2/pp/Mg.pz-n-vbc.UPF\nq-e-qe-7.6/EPW/examples/pb/\nq-e-qe-7.6/EPW/examples/pb/pp/\nq-e-qe-7.6/EPW/examples/pb/pp/pb_s.UPF\nq-e-qe-7.6/EPW/examples/pb/wSOC/\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/epw.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/nscf.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/scf.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/ph.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/pp.py\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/scf.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/epw.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/nscf.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/scf.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/ph.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/pp.py\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/scf.in\nq-e-qe-7.6/EPW/examples/sic/\nq-e-qe-7.6/EPW/examples/sic/epw/\nq-e-qe-7.6/EPW/examples/sic/epw/epw.in\nq-e-qe-7.6/EPW/examples/sic/epw/meshes/\nq-e-qe-7.6/EPW/examples/sic/epw/meshes/10.dat\nq-e-qe-7.6/EPW/examples/sic/epw/nscf.in\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.H\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.P\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.dynmat\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.epmat_wanep\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.epwane\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/epw.out\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/nscf.out\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/scf.out\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/sic.wout\nq-e-qe-7.6/EPW/examples/sic/epw/scf.in\nq-e-qe-7.6/EPW/examples/sic/phonons/\nq-e-qe-7.6/EPW/examples/sic/phonons/out.ref/\nq-e-qe-7.6/EPW/examples/sic/phonons/out.ref/scf.out\nq-e-qe-7.6/EPW/examples/sic/phonons/ph.in\nq-e-qe-7.6/EPW/examples/sic/phonons/pp.py\nq-e-qe-7.6/EPW/examples/sic/phonons/scf.in\nq-e-qe-7.6/EPW/examples/sic/pp/\nq-e-qe-7.6/EPW/examples/sic/pp/C.UPF\nq-e-qe-7.6/EPW/examples/sic/pp/Si.pz-vbc.UPF\nq-e-qe-7.6/EPW/irobjs/\nq-e-qe-7.6/EPW/irobjs/Makefile\nq-e-qe-7.6/EPW/irobjs/README.md\nq-e-qe-7.6/EPW/irobjs/ir_nlambda5_ndigit6.dat\nq-e-qe-7.6/EPW/src/\nq-e-qe-7.6/EPW/src/Makefile\nq-e-qe-7.6/EPW/src/bloch2wannier.f90\nq-e-qe-7.6/EPW/src/close.f90\nq-e-qe-7.6/EPW/src/cumulant.f90\nq-e-qe-7.6/EPW/src/dvqhub.f90\nq-e-qe-7.6/EPW/src/dvqpsi.f90\nq-e-qe-7.6/EPW/src/ep_coarse.f90\nq-e-qe-7.6/EPW/src/ep_coarse_unfolding.f90\nq-e-qe-7.6/EPW/src/ep_constants.f90\nq-e-qe-7.6/EPW/src/epw.f90\nq-e-qe-7.6/EPW/src/exphonon.f90\nq-e-qe-7.6/EPW/src/expolaron.f90\nq-e-qe-7.6/EPW/src/global_setups.f90\nq-e-qe-7.6/EPW/src/global_var.f90\nq-e-qe-7.6/EPW/src/indabs.f90\nq-e-qe-7.6/EPW/src/init.f90\nq-e-qe-7.6/EPW/src/input.f90\nq-e-qe-7.6/EPW/src/io/\nq-e-qe-7.6/EPW/src/io/change.sh\nq-e-qe-7.6/EPW/src/io/io.f90\nq-e-qe-7.6/EPW/src/io/io_ahc.f90\nq-e-qe-7.6/EPW/src/io/io_indabs.f90\nq-e-qe-7.6/EPW/src/io/io_selfen.f90\nq-e-qe-7.6/EPW/src/io/io_sparse_ir.f90\nq-e-qe-7.6/EPW/src/io/io_supercond.f90\nq-e-qe-7.6/EPW/src/io/io_transport.f90\nq-e-qe-7.6/EPW/src/io/io_var.f90\nq-e-qe-7.6/EPW/src/longrange.f90\nq-e-qe-7.6/EPW/src/onemkl_wrappers.f90\nq-e-qe-7.6/EPW/src/phph.f90\nq-e-qe-7.6/EPW/src/polaron.f90\nq-e-qe-7.6/EPW/src/printing.f90\nq-e-qe-7.6/EPW/src/pw2wan.f90\nq-e-qe-7.6/EPW/src/qdabs.f90\nq-e-qe-7.6/EPW/src/qe_wrappers.f90\nq-e-qe-7.6/EPW/src/readin.f90\nq-e-qe-7.6/EPW/src/selfen.f90\nq-e-qe-7.6/EPW/src/setups.f90\nq-e-qe-7.6/EPW/src/spectral.f90\nq-e-qe-7.6/EPW/src/stop.f90\nq-e-qe-7.6/EPW/src/summaries.f90\nq-e-qe-7.6/EPW/src/supercond.f90\nq-e-qe-7.6/EPW/src/supercond_aniso.f90\nq-e-qe-7.6/EPW/src/supercond_common.f90\nq-e-qe-7.6/EPW/src/supercond_coul.f90\nq-e-qe-7.6/EPW/src/supercond_driver.f90\nq-e-qe-7.6/EPW/src/supercond_iso.f90\nq-e-qe-7.6/EPW/src/supercond_vertex.f90\nq-e-qe-7.6/EPW/src/tdbe_common.f90\nq-e-qe-7.6/EPW/src/tdbe_driver.f90\nq-e-qe-7.6/EPW/src/tdbe_mod.f90\nq-e-qe-7.6/EPW/src/transport.f90\nq-e-qe-7.6/EPW/src/transport_legacy.f90\nq-e-qe-7.6/EPW/src/transport_mag.f90\nq-e-qe-7.6/EPW/src/use_wannier.f90\nq-e-qe-7.6/EPW/src/utilities/\nq-e-qe-7.6/EPW/src/utilities/bcast_input.f90\nq-e-qe-7.6/EPW/src/utilities/bzgrid.f90\nq-e-qe-7.6/EPW/src/utilities/change.sh\nq-e-qe-7.6/EPW/src/utilities/check_deps.sh\nq-e-qe-7.6/EPW/src/utilities/clean_unused_modules.py\nq-e-qe-7.6/EPW/src/utilities/clean_unused_variables.py\nq-e-qe-7.6/EPW/src/utilities/kfold.f90\nq-e-qe-7.6/EPW/src/utilities/kgen.f90\nq-e-qe-7.6/EPW/src/utilities/low_lvl.f90\nq-e-qe-7.6/EPW/src/utilities/nscf2supercond.f90\nq-e-qe-7.6/EPW/src/utilities/parallelism.f90\nq-e-qe-7.6/EPW/src/utilities/screening.f90\nq-e-qe-7.6/EPW/src/utilities/sparse_ir.f90\nq-e-qe-7.6/EPW/src/utilities/symmetry.f90\nq-e-qe-7.6/EPW/src/utilities/utilities.f90\nq-e-qe-7.6/EPW/src/wann_common.f90\nq-e-qe-7.6/EPW/src/wannier.f90\nq-e-qe-7.6/EPW/src/wannier2bloch.f90\nq-e-qe-7.6/EPW/src/wannier2bloch_opt.f90\nq-e-qe-7.6/EPW/src/wannierization.f90\nq-e-qe-7.6/EPW/src/wfpt.f90\nq-e-qe-7.6/EPW/src/wigner.f90\nq-e-qe-7.6/FFTXlib/\nq-e-qe-7.6/FFTXlib/CMakeLists.txt\nq-e-qe-7.6/FFTXlib/Makefile\nq-e-qe-7.6/FFTXlib/README.md\nq-e-qe-7.6/FFTXlib/examples/\nq-e-qe-7.6/FFTXlib/examples/reference/\nq-e-qe-7.6/FFTXlib/examples/reference/fft_test0.out\nq-e-qe-7.6/FFTXlib/examples/run_example\nq-e-qe-7.6/FFTXlib/src/\nq-e-qe-7.6/FFTXlib/src/CMakeLists.txt\nq-e-qe-7.6/FFTXlib/src/Makefile\nq-e-qe-7.6/FFTXlib/src/fft_buffers.f90\nq-e-qe-7.6/FFTXlib/src/fft_error.f90\nq-e-qe-7.6/FFTXlib/src/fft_fwinv.f90\nq-e-qe-7.6/FFTXlib/src/fft_ggen.f90\nq-e-qe-7.6/FFTXlib/src/fft_helper_subroutines.f90\nq-e-qe-7.6/FFTXlib/src/fft_interfaces.f90\nq-e-qe-7.6/FFTXlib/src/fft_interpolate.f90\nq-e-qe-7.6/FFTXlib/src/fft_parallel.f90\nq-e-qe-7.6/FFTXlib/src/fft_parallel_2d.f90\nq-e-qe-7.6/FFTXlib/src/fft_param.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.DFTI.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.ESSL.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.FFTW.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.FFTW3.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.SX6.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.cuFFT.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter_2d.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter_2d_gpu.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter_gpu.f90\nq-e-qe-7.6/FFTXlib/src/fft_smallbox.f90\nq-e-qe-7.6/FFTXlib/src/fft_smallbox_type.f90\nq-e-qe-7.6/FFTXlib/src/fft_stick.c\nq-e-qe-7.6/FFTXlib/src/fft_support.f90\nq-e-qe-7.6/FFTXlib/src/fft_types.f90\nq-e-qe-7.6/FFTXlib/src/fftw.c\nq-e-qe-7.6/FFTXlib/src/fftw.h\nq-e-qe-7.6/FFTXlib/src/fftw_dp.c\nq-e-qe-7.6/FFTXlib/src/fftw_dp.h\nq-e-qe-7.6/FFTXlib/src/fftw_interfaces.f90\nq-e-qe-7.6/FFTXlib/src/fftw_sp.c\nq-e-qe-7.6/FFTXlib/src/fftw_sp.h\nq-e-qe-7.6/FFTXlib/src/konst.h\nq-e-qe-7.6/FFTXlib/src/scatter_mod.f90\nq-e-qe-7.6/FFTXlib/src/stick_base.f90\nq-e-qe-7.6/FFTXlib/src/tg_gather.f90\nq-e-qe-7.6/FFTXlib/tests/\nq-e-qe-7.6/FFTXlib/tests/CMakeLists.txt\nq-e-qe-7.6/FFTXlib/tests/Makefile\nq-e-qe-7.6/FFTXlib/tests/fft_test.f90\nq-e-qe-7.6/FFTXlib/tests/gen_test_params.py\nq-e-qe-7.6/FFTXlib/tests/recips.f90\nq-e-qe-7.6/FFTXlib/tests/sort.f90\nq-e-qe-7.6/FFTXlib/tests/test_fft_scalar_gpu.f90\nq-e-qe-7.6/FFTXlib/tests/test_fft_scatter_mod_gpu.f90\nq-e-qe-7.6/FFTXlib/tests/test_fwinv_gpu.f90\nq-e-qe-7.6/FFTXlib/tests/tester.f90\nq-e-qe-7.6/FFTXlib/tests/utils.f90\nq-e-qe-7.6/GUI/\nq-e-qe-7.6/GUI/CMakeLists.txt\nq-e-qe-7.6/GUI/Guib/\nq-e-qe-7.6/GUI/Guib/AUTHORS\nq-e-qe-7.6/GUI/Guib/BUGS\nq-e-qe-7.6/GUI/Guib/COPYING\nq-e-qe-7.6/GUI/Guib/COPYRIGHT\nq-e-qe-7.6/GUI/Guib/ChangeLog\nq-e-qe-7.6/GUI/Guib/INSTALL\nq-e-qe-7.6/GUI/Guib/Makefile\nq-e-qe-7.6/GUI/Guib/NEWS\nq-e-qe-7.6/GUI/Guib/README\nq-e-qe-7.6/GUI/Guib/THANKS\nq-e-qe-7.6/GUI/Guib/TODO\nq-e-qe-7.6/GUI/Guib/VERSION\nq-e-qe-7.6/GUI/Guib/doc/\nq-e-qe-7.6/GUI/Guib/doc/Makefile\nq-e-qe-7.6/GUI/Guib/doc/diagrams/\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-new.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-new.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-open.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-open.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/Guib.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/Guib.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/Makefile\nq-e-qe-7.6/GUI/Guib/doc/diagrams/PWgui.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/PWgui.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/myGUI.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/myGUI.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/myGUI.tcl\nq-e-qe-7.6/GUI/Guib/doc/diagrams/parsing.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/parsing.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/topng.sh\nq-e-qe-7.6/GUI/Guib/doc/robodoc.rc\nq-e-qe-7.6/GUI/Guib/doc/usage.tex\nq-e-qe-7.6/GUI/Guib/examples/\nq-e-qe-7.6/GUI/Guib/examples/README\nq-e-qe-7.6/GUI/Guib/examples/dimension.inp\nq-e-qe-7.6/GUI/Guib/examples/dimension.tcl\nq-e-qe-7.6/GUI/Guib/examples/kpoints.inp\nq-e-qe-7.6/GUI/Guib/examples/kpoints.tcl\nq-e-qe-7.6/GUI/Guib/examples/pages.inp\nq-e-qe-7.6/GUI/Guib/examples/pages.tcl\nq-e-qe-7.6/GUI/Guib/examples/run.sh\nq-e-qe-7.6/GUI/Guib/examples/simpleSim.inp\nq-e-qe-7.6/GUI/Guib/examples/simpleSim.tcl\nq-e-qe-7.6/GUI/Guib/examples/two_pages.tcl\nq-e-qe-7.6/GUI/Guib/examples/validate.inp\nq-e-qe-7.6/GUI/Guib/examples/validate.tcl\nq-e-qe-7.6/GUI/Guib/external/\nq-e-qe-7.6/GUI/Guib/external/lib/\nq-e-qe-7.6/GUI/Guib/external/lib/cmdline/\nq-e-qe-7.6/GUI/Guib/external/lib/cmdline/cmdline.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/cmdline/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/fileutil/\nq-e-qe-7.6/GUI/Guib/external/lib/fileutil/fileutil.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/fileutil/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/license.terms\nq-e-qe-7.6/GUI/Guib/external/lib/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/guib\nq-e-qe-7.6/GUI/Guib/guib.bat\nq-e-qe-7.6/GUI/Guib/guib.tcl\nq-e-qe-7.6/GUI/Guib/guib.theme\nq-e-qe-7.6/GUI/Guib/header.tcl\nq-e-qe-7.6/GUI/Guib/images/\nq-e-qe-7.6/GUI/Guib/images/exit2.gif\nq-e-qe-7.6/GUI/Guib/images/fileclose2.gif\nq-e-qe-7.6/GUI/Guib/images/filenew2.gif\nq-e-qe-7.6/GUI/Guib/images/fileopen2.gif\nq-e-qe-7.6/GUI/Guib/images/filesave2.gif\nq-e-qe-7.6/GUI/Guib/images/filesaveas2.gif\nq-e-qe-7.6/GUI/Guib/images/icons.license\nq-e-qe-7.6/GUI/Guib/init.tcl\nq-e-qe-7.6/GUI/Guib/lib/\nq-e-qe-7.6/GUI/Guib/lib/Makefile\nq-e-qe-7.6/GUI/Guib/lib/aindex\nq-e-qe-7.6/GUI/Guib/lib/header.tcl\nq-e-qe-7.6/GUI/Guib/lib/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/lib/tclIndex\nq-e-qe-7.6/GUI/Guib/lib/tclUtils.tcl\nq-e-qe-7.6/GUI/Guib/lib/tkUtils.tcl\nq-e-qe-7.6/GUI/Guib/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/src/\nq-e-qe-7.6/GUI/Guib/src/Makefile\nq-e-qe-7.6/GUI/Guib/src/aindex\nq-e-qe-7.6/GUI/Guib/src/build.itcl\nq-e-qe-7.6/GUI/Guib/src/dialogshell.itcl\nq-e-qe-7.6/GUI/Guib/src/fnml.tcl\nq-e-qe-7.6/GUI/Guib/src/gui.itcl\nq-e-qe-7.6/GUI/Guib/src/guib-keywords-def.tcl\nq-e-qe-7.6/GUI/Guib/src/guib.itcl\nq-e-qe-7.6/GUI/Guib/src/guibKeywords.itcl\nq-e-qe-7.6/GUI/Guib/src/guibUtils.itcl\nq-e-qe-7.6/GUI/Guib/src/help.itcl\nq-e-qe-7.6/GUI/Guib/src/keywidgets.itcl\nq-e-qe-7.6/GUI/Guib/src/keywordObj.itcl\nq-e-qe-7.6/GUI/Guib/src/moduleObj.itcl\nq-e-qe-7.6/GUI/Guib/src/open.itcl\nq-e-qe-7.6/GUI/Guib/src/optionmenuhelp.itcl\nq-e-qe-7.6/GUI/Guib/src/radioboxhelp.itcl\nq-e-qe-7.6/GUI/Guib/src/save.itcl\nq-e-qe-7.6/GUI/Guib/src/simpleGui.itcl\nq-e-qe-7.6/GUI/Guib/src/spininthelp.itcl\nq-e-qe-7.6/GUI/Guib/src/store.itcl\nq-e-qe-7.6/GUI/Guib/src/table.itcl\nq-e-qe-7.6/GUI/Guib/src/tclIndex\nq-e-qe-7.6/GUI/Guib/src/text.itcl\nq-e-qe-7.6/GUI/Guib/src/validate.itcl\nq-e-qe-7.6/GUI/Guib/src/widgets.itcl\nq-e-qe-7.6/GUI/Guib/sys_utils/\nq-e-qe-7.6/GUI/Guib/sys_utils/mgt.tabs\nq-e-qe-7.6/GUI/Guib/sys_utils/repack.sh\nq-e-qe-7.6/GUI/Makefile\nq-e-qe-7.6/GUI/PWgui/\nq-e-qe-7.6/GUI/PWgui/AUTHORS\nq-e-qe-7.6/GUI/PWgui/BUGS\nq-e-qe-7.6/GUI/PWgui/COPYING\nq-e-qe-7.6/GUI/PWgui/COPYRIGHT\nq-e-qe-7.6/GUI/PWgui/ChangeLog\nq-e-qe-7.6/GUI/PWgui/INSTALL\nq-e-qe-7.6/GUI/PWgui/INSTALL.repository\nq-e-qe-7.6/GUI/PWgui/Makefile\nq-e-qe-7.6/GUI/PWgui/NEWS\nq-e-qe-7.6/GUI/PWgui/README\nq-e-qe-7.6/GUI/PWgui/README.developer\nq-e-qe-7.6/GUI/PWgui/THANKS\nq-e-qe-7.6/GUI/PWgui/TODO\nq-e-qe-7.6/GUI/PWgui/VERSION\nq-e-qe-7.6/GUI/PWgui/doc/\nq-e-qe-7.6/GUI/PWgui/doc/Makefile\nq-e-qe-7.6/GUI/PWgui/doc/htmlise.sh\nq-e-qe-7.6/GUI/PWgui/examples/\nq-e-qe-7.6/GUI/PWgui/examples/atomic/\nq-e-qe-7.6/GUI/PWgui/examples/atomic/pt.all_electron.in\nq-e-qe-7.6/GUI/PWgui/examples/atomic/pt.pseudo_gen.in\nq-e-qe-7.6/GUI/PWgui/examples/atomic/rh.pseudo_test.in\nq-e-qe-7.6/GUI/PWgui/examples/d3/\nq-e-qe-7.6/GUI/PWgui/examples/d3/sample.d3.inp\nq-e-qe-7.6/GUI/PWgui/examples/neb.dat/\nq-e-qe-7.6/GUI/PWgui/examples/neb.dat/neb.dat\nq-e-qe-7.6/GUI/PWgui/examples/ph/\nq-e-qe-7.6/GUI/PWgui/examples/ph/sample.ph.inp\nq-e-qe-7.6/GUI/PWgui/examples/pp/\nq-e-qe-7.6/GUI/PWgui/examples/pp/psi2-noncolin.pp.in\nq-e-qe-7.6/GUI/PWgui/examples/pp/psi2-v2.pp.inp\nq-e-qe-7.6/GUI/PWgui/examples/pp/psi2.pp.inp\nq-e-qe-7.6/GUI/PWgui/examples/projwfc/\nq-e-qe-7.6/GUI/PWgui/examples/projwfc/sample.pr.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/\nq-e-qe-7.6/GUI/PWgui/examples/pw/Si_band.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/Si_scf.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/abc.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/addit-k-points.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/additional_k_points\nq-e-qe-7.6/GUI/PWgui/examples/pw/al.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/al.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/atomic_positions\nq-e-qe-7.6/GUI/PWgui/examples/pw/cu.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/cu.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/hubbard+occup.pw.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/hubbard.pw.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/k_points\nq-e-qe-7.6/GUI/PWgui/examples/pw/ni.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/ni.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/occup+hubbard.pw.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/occupations.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/sample.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/si.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/si.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/vdw_corr.in\nq-e-qe-7.6/GUI/PWgui/external/\nq-e-qe-7.6/GUI/PWgui/external/lib/\nq-e-qe-7.6/GUI/PWgui/external/lib/Makefile\nq-e-qe-7.6/GUI/PWgui/external/lib/license.terms\nq-e-qe-7.6/GUI/PWgui/external/src/\nq-e-qe-7.6/GUI/PWgui/external/src/Makefile\nq-e-qe-7.6/GUI/PWgui/external/src/license.terms\nq-e-qe-7.6/GUI/PWgui/external/src/tkAppInit.c\nq-e-qe-7.6/GUI/PWgui/header.tcl\nq-e-qe-7.6/GUI/PWgui/images/\nq-e-qe-7.6/GUI/PWgui/images/license.terms\nq-e-qe-7.6/GUI/PWgui/images/pwgui-logo.gif\nq-e-qe-7.6/GUI/PWgui/images/pwgui-logo.xcf.bz2\nq-e-qe-7.6/GUI/PWgui/images/pwscf-logo.gif\nq-e-qe-7.6/GUI/PWgui/init.tcl\nq-e-qe-7.6/GUI/PWgui/lib/\nq-e-qe-7.6/GUI/PWgui/lib/.dont-delete\nq-e-qe-7.6/GUI/PWgui/make.usage\nq-e-qe-7.6/GUI/PWgui/modules/\nq-e-qe-7.6/GUI/PWgui/modules/atomic/\nq-e-qe-7.6/GUI/PWgui/modules/atomic/atomic-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/atomic/atomic-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/atomic/atomic.tcl\nq-e-qe-7.6/GUI/PWgui/modules/atomic/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/\nq-e-qe-7.6/GUI/PWgui/modules/bands/bands-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/bands-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/bands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/\nq-e-qe-7.6/GUI/PWgui/modules/d3/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/d3-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/d3-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/d3.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/\nq-e-qe-7.6/GUI/PWgui/modules/dos/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/dos-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/dos-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/dos.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/\nq-e-qe-7.6/GUI/PWgui/modules/hp/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/hp-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/hp-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/hp.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/\nq-e-qe-7.6/GUI/PWgui/modules/neb/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/neb-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/neb-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/neb.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/\nq-e-qe-7.6/GUI/PWgui/modules/ph/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/ph-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/ph-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/ph.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/\nq-e-qe-7.6/GUI/PWgui/modules/pp/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/pp-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/pp-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/pp.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/projwfc-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/projwfc-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/projwfc.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/\nq-e-qe-7.6/GUI/PWgui/modules/pw/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/pw-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/pw-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/pw.tcl\nq-e-qe-7.6/GUI/PWgui/pwgui\nq-e-qe-7.6/GUI/PWgui/pwgui.bat\nq-e-qe-7.6/GUI/PWgui/pwgui.settings\nq-e-qe-7.6/GUI/PWgui/pwgui.tcl\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/MakeDir.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/Makefile\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/README\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/darwin-ppc.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/linux-x86.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/linux-x86_64.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/make.darwin\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/make.linux\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/make.win32\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/win32.sh\nq-e-qe-7.6/GUI/PWgui/src/\nq-e-qe-7.6/GUI/PWgui/src/Makefile\nq-e-qe-7.6/GUI/PWgui/src/about.html\nq-e-qe-7.6/GUI/PWgui/src/aindex\nq-e-qe-7.6/GUI/PWgui/src/auxil.itcl\nq-e-qe-7.6/GUI/PWgui/src/edit.itcl\nq-e-qe-7.6/GUI/PWgui/src/init.itcl\nq-e-qe-7.6/GUI/PWgui/src/menustate.itcl\nq-e-qe-7.6/GUI/PWgui/src/modutil.itcl\nq-e-qe-7.6/GUI/PWgui/src/pwscf.itcl\nq-e-qe-7.6/GUI/PWgui/src/pwscf.theme\nq-e-qe-7.6/GUI/PWgui/src/run.itcl\nq-e-qe-7.6/GUI/PWgui/src/settings.itcl\nq-e-qe-7.6/GUI/PWgui/src/tclIndex\nq-e-qe-7.6/GUI/PWgui/src/view.itcl\nq-e-qe-7.6/GUI/PWgui/sys_utils/\nq-e-qe-7.6/GUI/PWgui/sys_utils/bin.sh\nq-e-qe-7.6/GUI/PWgui/sys_utils/make.guib\nq-e-qe-7.6/GUI/PWgui/sys_utils/publish.sh\nq-e-qe-7.6/GUI/PWgui/sys_utils/repack.sh\nq-e-qe-7.6/GUI/PWgui/sys_utils/starkit.sh\nq-e-qe-7.6/GUI/PWgui/tests/\nq-e-qe-7.6/GUI/PWgui/tests/run-tests.sh\nq-e-qe-7.6/GUI/QE-modes/\nq-e-qe-7.6/GUI/QE-modes/Doc/\nq-e-qe-7.6/GUI/QE-modes/Doc/Makefile\nq-e-qe-7.6/GUI/QE-modes/Doc/highlight.png\nq-e-qe-7.6/GUI/QE-modes/Doc/insert-template.png\nq-e-qe-7.6/GUI/QE-modes/Doc/user_guide.pdf\nq-e-qe-7.6/GUI/QE-modes/Doc/user_guide.tex\nq-e-qe-7.6/GUI/QE-modes/Makefile\nq-e-qe-7.6/GUI/QE-modes/README\nq-e-qe-7.6/GUI/QE-modes/README.repository\nq-e-qe-7.6/GUI/QE-modes/THANKS\nq-e-qe-7.6/GUI/QE-modes/install.sh\nq-e-qe-7.6/GUI/QE-modes/qe-modes.emacs\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/README\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/autoload-specific.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/bands.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/card-noflags.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/card.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/cp.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/dos.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/dynmat.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/header.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/insert-template.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/ld1.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/namelist.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/neb.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/ph.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/pp.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/projwfc.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/pw.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/pwtk-mode.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-all-modes.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-all-modes.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-funcs.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-mode.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-modes.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/stringvar.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/supercard-open.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/supercard.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/var.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes/\nq-e-qe-7.6/GUI/QE-modes/qe-modes/cp-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/ld1-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/neb-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/ph-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/pp-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/pw-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/pwtk-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/qe-funcs.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/qe-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/qe-modes.el\nq-e-qe-7.6/GUI/README\nq-e-qe-7.6/GWW/\nq-e-qe-7.6/GWW/CMakeLists.txt\nq-e-qe-7.6/GWW/Makefile\nq-e-qe-7.6/GWW/bse/\nq-e-qe-7.6/GWW/bse/Makefile\nq-e-qe-7.6/GWW/bse/absorption.f90\nq-e-qe-7.6/GWW/bse/bse_basic_structure.f90\nq-e-qe-7.6/GWW/bse/bse_main.f90\nq-e-qe-7.6/GWW/bse/bse_wannier.f90\nq-e-qe-7.6/GWW/bse/cgsolve.f90\nq-e-qe-7.6/GWW/bse/check_basis.f90\nq-e-qe-7.6/GWW/bse/conj_grad_stuff.f90\nq-e-qe-7.6/GWW/bse/conjgrad.f90\nq-e-qe-7.6/GWW/bse/contract_w_exc.f90\nq-e-qe-7.6/GWW/bse/diago_exc.f90\nq-e-qe-7.6/GWW/bse/direct_v_exc.f90\nq-e-qe-7.6/GWW/bse/direct_w_exc.f90\nq-e-qe-7.6/GWW/bse/direct_www.f90\nq-e-qe-7.6/GWW/bse/dvpsi_bse.f90\nq-e-qe-7.6/GWW/bse/exc_h_a.f90\nq-e-qe-7.6/GWW/bse/exchange_exc.f90\nq-e-qe-7.6/GWW/bse/exciton.f90\nq-e-qe-7.6/GWW/bse/find_eig.f90\nq-e-qe-7.6/GWW/bse/h_h.f90\nq-e-qe-7.6/GWW/bse/lanczos.f90\nq-e-qe-7.6/GWW/bse/openfil_bse.f90\nq-e-qe-7.6/GWW/bse/plot_excwfn.f90\nq-e-qe-7.6/GWW/bse/print_bse.f90\nq-e-qe-7.6/GWW/bse/print_spectrum.f90\nq-e-qe-7.6/GWW/bse/qpcorrections.f90\nq-e-qe-7.6/GWW/bse/qpe_exc.f90\nq-e-qe-7.6/GWW/bse/read_export.f90\nq-e-qe-7.6/GWW/bse/rotate_wannier.f90\nq-e-qe-7.6/GWW/bse/sdescent.f90\nq-e-qe-7.6/GWW/bse/spectrum.f90\nq-e-qe-7.6/GWW/bse/start_bse.f90\nq-e-qe-7.6/GWW/bse/tmp.f90\nq-e-qe-7.6/GWW/bse/transitions.f90\nq-e-qe-7.6/GWW/bse/tspace.f90\nq-e-qe-7.6/GWW/bse/write_wannier_matrix.f90\nq-e-qe-7.6/GWW/doc/\nq-e-qe-7.6/GWW/doc/README\nq-e-qe-7.6/GWW/doc/make.sys_SCALAPACK\nq-e-qe-7.6/GWW/examples/\nq-e-qe-7.6/GWW/examples/README\nq-e-qe-7.6/GWW/examples/example01/\nq-e-qe-7.6/GWW/examples/example01/methane_gww.in\nq-e-qe-7.6/GWW/examples/example01/methane_gww_steps.in\nq-e-qe-7.6/GWW/examples/example01/methane_pw4gww.in\nq-e-qe-7.6/GWW/examples/example01/methane_pw4gww_basis.in\nq-e-qe-7.6/GWW/examples/example01/methane_pw4gww_steps.in\nq-e-qe-7.6/GWW/examples/example01/methane_scf.in\nq-e-qe-7.6/GWW/examples/example01/methane_scf_25.in\nq-e-qe-7.6/GWW/examples/example01/methane_scf_35.in\nq-e-qe-7.6/GWW/examples/example01/reference/\nq-e-qe-7.6/GWW/examples/example01/reference/methane_gww.out\nq-e-qe-7.6/GWW/examples/example01/reference/methane_pw4gww.out\nq-e-qe-7.6/GWW/examples/example01/reference/methane_scf.out\nq-e-qe-7.6/GWW/examples/example01/run_example\nq-e-qe-7.6/GWW/examples/example02/\nq-e-qe-7.6/GWW/examples/example02/reference/\nq-e-qe-7.6/GWW/examples/example02/reference/si_gww.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_head.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_nscf.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_pw4gww.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_scf_k.out\nq-e-qe-7.6/GWW/examples/example02/run_example\nq-e-qe-7.6/GWW/examples/example02/si_gww.in\nq-e-qe-7.6/GWW/examples/example02/si_head.in\nq-e-qe-7.6/GWW/examples/example02/si_nscf.in\nq-e-qe-7.6/GWW/examples/example02/si_pw4gww.in\nq-e-qe-7.6/GWW/examples/example02/si_pw4gww_planewaves.in\nq-e-qe-7.6/GWW/examples/example02/si_scf_k.in\nq-e-qe-7.6/GWW/examples/example03/\nq-e-qe-7.6/GWW/examples/example03/run_example\nq-e-qe-7.6/GWW/examples/example04/\nq-e-qe-7.6/GWW/examples/example04/Ag_ONCV_PBE-1.0.upf\nq-e-qe-7.6/GWW/examples/example04/README\nq-e-qe-7.6/GWW/examples/example04/reference/\nq-e-qe-7.6/GWW/examples/example04/reference/ag.dos_broadening.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eels.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_inter_im.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_inter_re.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_tot_im.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_tot_re.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.jdos.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.optical_constants.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag_nscf.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_nscf.out\nq-e-qe-7.6/GWW/examples/example04/reference/ag_scf.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_scf.out\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple.out\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple_ip.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple_ip.out\nq-e-qe-7.6/GWW/examples/example04/reference/pippo.txt\nq-e-qe-7.6/GWW/examples/example04/run_example\nq-e-qe-7.6/GWW/examples/example05/\nq-e-qe-7.6/GWW/examples/example05/reference/\nq-e-qe-7.6/GWW/examples/example05/reference/ab_coeff.dat\nq-e-qe-7.6/GWW/examples/example05/reference/abcoeff_to_eps.in\nq-e-qe-7.6/GWW/examples/example05/reference/abcoeff_to_eps.tmp\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps1x.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps1y.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps1z.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps2x.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps2y.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps2z.dat\nq-e-qe-7.6/GWW/examples/example05/reference/si_gww.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_gww.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_head.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_head.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf_k.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf_k.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_pw4gww.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_pw4gww.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_scf_k.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_scf_k.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple_bse.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple_bse.out\nq-e-qe-7.6/GWW/examples/example05/run_example\nq-e-qe-7.6/GWW/examples/example06/\nq-e-qe-7.6/GWW/examples/example06/reference/\nq-e-qe-7.6/GWW/examples/example06/reference/silane_bse.out\nq-e-qe-7.6/GWW/examples/example06/reference/silane_pw4gww.out\nq-e-qe-7.6/GWW/examples/example06/reference/silane_scf.out\nq-e-qe-7.6/GWW/examples/example06/run_example\nq-e-qe-7.6/GWW/gww/\nq-e-qe-7.6/GWW/gww/Makefile\nq-e-qe-7.6/GWW/gww/basic_structures.f90\nq-e-qe-7.6/GWW/gww/compact_product.f90\nq-e-qe-7.6/GWW/gww/contour.f90\nq-e-qe-7.6/GWW/gww/create_hf.f90\nq-e-qe-7.6/GWW/gww/create_quasi_particle.f90\nq-e-qe-7.6/GWW/gww/create_quasi_particle_off.f90\nq-e-qe-7.6/GWW/gww/do_contour.f90\nq-e-qe-7.6/GWW/gww/do_polarization_lanczos.f90\nq-e-qe-7.6/GWW/gww/do_self_lanczos.f90\nq-e-qe-7.6/GWW/gww/do_self_lanczos_full.f90\nq-e-qe-7.6/GWW/gww/do_self_lanczos_time.f90\nq-e-qe-7.6/GWW/gww/energies_gww.f90\nq-e-qe-7.6/GWW/gww/expansion.f90\nq-e-qe-7.6/GWW/gww/fft_gw.f90\nq-e-qe-7.6/GWW/gww/fit_multipole.f90\nq-e-qe-7.6/GWW/gww/fit_polynomial.f90\nq-e-qe-7.6/GWW/gww/go_dressed_w.f90\nq-e-qe-7.6/GWW/gww/go_exchange.f90\nq-e-qe-7.6/GWW/gww/go_fft.f90\nq-e-qe-7.6/GWW/gww/go_green.f90\nq-e-qe-7.6/GWW/gww/go_polarization.f90\nq-e-qe-7.6/GWW/gww/green_function.f90\nq-e-qe-7.6/GWW/gww/gv_time.f90\nq-e-qe-7.6/GWW/gww/gww.f90\nq-e-qe-7.6/GWW/gww/gww_fit.f90\nq-e-qe-7.6/GWW/gww/input_gw.f90\nq-e-qe-7.6/GWW/gww/lanczos_polarization.f90\nq-e-qe-7.6/GWW/gww/para_gww.f90\nq-e-qe-7.6/GWW/gww/polarization.f90\nq-e-qe-7.6/GWW/gww/read_data_pw.f90\nq-e-qe-7.6/GWW/gww/remainder.f90\nq-e-qe-7.6/GWW/gww/self_energy.f90\nq-e-qe-7.6/GWW/gww/self_energy_storage.f90\nq-e-qe-7.6/GWW/gww/start_end.f90\nq-e-qe-7.6/GWW/gww/times_gw.f90\nq-e-qe-7.6/GWW/gww/vcprim.f90\nq-e-qe-7.6/GWW/head/\nq-e-qe-7.6/GWW/head/Makefile\nq-e-qe-7.6/GWW/head/bcast_gwl_input.f90\nq-e-qe-7.6/GWW/head/close_gwl.f90\nq-e-qe-7.6/GWW/head/gwl_readin.f90\nq-e-qe-7.6/GWW/head/head.f90\nq-e-qe-7.6/GWW/head/lanczos_k.f90\nq-e-qe-7.6/GWW/head/openfilq_gwl.f90\nq-e-qe-7.6/GWW/head/solve_head.f90\nq-e-qe-7.6/GWW/minpack/\nq-e-qe-7.6/GWW/minpack/Makefile\nq-e-qe-7.6/GWW/minpack/dpmpar.f90\nq-e-qe-7.6/GWW/minpack/enorm.f90\nq-e-qe-7.6/GWW/minpack/fdjac2.f90\nq-e-qe-7.6/GWW/minpack/lmder.f90\nq-e-qe-7.6/GWW/minpack/lmder1.f90\nq-e-qe-7.6/GWW/minpack/lmdif.f90\nq-e-qe-7.6/GWW/minpack/lmdif1.f90\nq-e-qe-7.6/GWW/minpack/lmpar.f90\nq-e-qe-7.6/GWW/minpack/mlagzo.f90\nq-e-qe-7.6/GWW/minpack/mlegzo.f90\nq-e-qe-7.6/GWW/minpack/qrfac.f90\nq-e-qe-7.6/GWW/minpack/qrsolv.f90\nq-e-qe-7.6/GWW/minpack/test.f90\nq-e-qe-7.6/GWW/pw4gww/\nq-e-qe-7.6/GWW/pw4gww/Makefile\nq-e-qe-7.6/GWW/pw4gww/allocate_wannier.f90\nq-e-qe-7.6/GWW/pw4gww/calculate_wing.f90\nq-e-qe-7.6/GWW/pw4gww/cgsolve_all_gamma.f90\nq-e-qe-7.6/GWW/pw4gww/contour_terms.f90\nq-e-qe-7.6/GWW/pw4gww/convergence.f90\nq-e-qe-7.6/GWW/pw4gww/dft_exchange.f90\nq-e-qe-7.6/GWW/pw4gww/diago_cg.f90\nq-e-qe-7.6/GWW/pw4gww/diago_cg_g.f90\nq-e-qe-7.6/GWW/pw4gww/easy_gw.f90\nq-e-qe-7.6/GWW/pw4gww/energies_xc.f90\nq-e-qe-7.6/GWW/pw4gww/exchange_custom.f90\nq-e-qe-7.6/GWW/pw4gww/fake_conduction.f90\nq-e-qe-7.6/GWW/pw4gww/fft_custom.f90\nq-e-qe-7.6/GWW/pw4gww/full.f90\nq-e-qe-7.6/GWW/pw4gww/gww_realus.f90\nq-e-qe-7.6/GWW/pw4gww/hpsi_pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/lanczos_chains.f90\nq-e-qe-7.6/GWW/pw4gww/matrix_wannier_gamma.f90\nq-e-qe-7.6/GWW/pw4gww/mp_wave_parallel.f90\nq-e-qe-7.6/GWW/pw4gww/o_1psi.f90\nq-e-qe-7.6/GWW/pw4gww/o_bands.f90\nq-e-qe-7.6/GWW/pw4gww/o_rinitcgg.f90\nq-e-qe-7.6/GWW/pw4gww/openfil_pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/operator_1_vp.f90\nq-e-qe-7.6/GWW/pw4gww/operator_debug.f90\nq-e-qe-7.6/GWW/pw4gww/optimal.f90\nq-e-qe-7.6/GWW/pw4gww/pola_lanczos.f90\nq-e-qe-7.6/GWW/pw4gww/pola_partial.f90\nq-e-qe-7.6/GWW/pw4gww/produce_wannier_gamma.f90\nq-e-qe-7.6/GWW/pw4gww/pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/rotate_wannier.f90\nq-e-qe-7.6/GWW/pw4gww/self_lanczos.f90\nq-e-qe-7.6/GWW/pw4gww/semicore.f90\nq-e-qe-7.6/GWW/pw4gww/semicore_read.f90\nq-e-qe-7.6/GWW/pw4gww/start_pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/stop_pp.f90\nq-e-qe-7.6/GWW/pw4gww/v_basis.f90\nq-e-qe-7.6/GWW/pw4gww/wannier.f90\nq-e-qe-7.6/GWW/pw4gww/wannier_bse.f90\nq-e-qe-7.6/GWW/pw4gww/wannier_uterms.f90\nq-e-qe-7.6/GWW/pw4gww/wfc_real.f90\nq-e-qe-7.6/GWW/pw4gww/write_vpot_matrix.f90\nq-e-qe-7.6/GWW/pw4gww/write_wannier_matrix.f90\nq-e-qe-7.6/GWW/simple/\nq-e-qe-7.6/GWW/simple/Makefile\nq-e-qe-7.6/GWW/simple/commutator.f90\nq-e-qe-7.6/GWW/simple/epe.f90\nq-e-qe-7.6/GWW/simple/gk_sort_limit.f90\nq-e-qe-7.6/GWW/simple/input_simple.f90\nq-e-qe-7.6/GWW/simple/khamiltonian.f90\nq-e-qe-7.6/GWW/simple/openfile_simple.f90\nq-e-qe-7.6/GWW/simple/product_basis.f90\nq-e-qe-7.6/GWW/simple/read_export.f90\nq-e-qe-7.6/GWW/simple/simple.f90\nq-e-qe-7.6/GWW/simple/stop_pp.f90\nq-e-qe-7.6/GWW/simple/v_product.f90\nq-e-qe-7.6/GWW/simple/wfc_basis.f90\nq-e-qe-7.6/GWW/simple_bse/\nq-e-qe-7.6/GWW/simple_bse/Makefile\nq-e-qe-7.6/GWW/simple_bse/build_eemat.f90\nq-e-qe-7.6/GWW/simple_bse/derived_object.f90\nq-e-qe-7.6/GWW/simple_bse/diago_exc_cg.f90\nq-e-qe-7.6/GWW/simple_bse/diago_exc_sd.f90\nq-e-qe-7.6/GWW/simple_bse/hamiltonian.f90\nq-e-qe-7.6/GWW/simple_bse/input_simple_exc.f90\nq-e-qe-7.6/GWW/simple_bse/lanczos.f90\nq-e-qe-7.6/GWW/simple_bse/simple_bse.f90\nq-e-qe-7.6/GWW/simple_bse/simple_eigen.f90\nq-e-qe-7.6/GWW/simple_bse/simple_object.f90\nq-e-qe-7.6/GWW/simple_bse/spectrum.f90\nq-e-qe-7.6/GWW/simple_bse/start_end.f90\nq-e-qe-7.6/GWW/simple_ip/\nq-e-qe-7.6/GWW/simple_ip/Makefile\nq-e-qe-7.6/GWW/simple_ip/diagonalization.f90\nq-e-qe-7.6/GWW/simple_ip/dielectric.f90\nq-e-qe-7.6/GWW/simple_ip/input_simple_ip.f90\nq-e-qe-7.6/GWW/simple_ip/interpolation.f90\nq-e-qe-7.6/GWW/simple_ip/simple_ip.f90\nq-e-qe-7.6/GWW/simple_ip/simple_ip_objects.f90\nq-e-qe-7.6/GWW/simple_ip/start_end.f90\nq-e-qe-7.6/GWW/simple_ip/tetra_mod1.f90\nq-e-qe-7.6/GWW/simple_ip/tetra_mod2.f90\nq-e-qe-7.6/GWW/util/\nq-e-qe-7.6/GWW/util/Makefile\nq-e-qe-7.6/GWW/util/abcoeff_to_eps.f90\nq-e-qe-7.6/GWW/util/graph.f90\nq-e-qe-7.6/GWW/util/memory_pw4gww.f90\nq-e-qe-7.6/HP/\nq-e-qe-7.6/HP/CMakeLists.txt\nq-e-qe-7.6/HP/Doc/\nq-e-qe-7.6/HP/Doc/INPUT_HP.def\nq-e-qe-7.6/HP/Doc/Makefile\nq-e-qe-7.6/HP/Doc/README\nq-e-qe-7.6/HP/Makefile\nq-e-qe-7.6/HP/examples/\nq-e-qe-7.6/HP/examples/README\nq-e-qe-7.6/HP/examples/clean_all\nq-e-qe-7.6/HP/examples/example01/\nq-e-qe-7.6/HP/examples/example01/reference/\nq-e-qe-7.6/HP/examples/example01/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example01/reference/LiCoO2.hp.in\nq-e-qe-7.6/HP/examples/example01/reference/LiCoO2.scf.in\nq-e-qe-7.6/HP/examples/example01/run_example\nq-e-qe-7.6/HP/examples/example02/\nq-e-qe-7.6/HP/examples/example02/README\nq-e-qe-7.6/HP/examples/example02/reference/\nq-e-qe-7.6/HP/examples/example02/reference/NiO.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example02/reference/NiO.hp.in\nq-e-qe-7.6/HP/examples/example02/reference/NiO.scf1.in\nq-e-qe-7.6/HP/examples/example02/reference/NiO.scf2.in\nq-e-qe-7.6/HP/examples/example02/run_example1\nq-e-qe-7.6/HP/examples/example02/run_example2\nq-e-qe-7.6/HP/examples/example03/\nq-e-qe-7.6/HP/examples/example03/reference/\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.hp.in\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.scf1.in\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.scf2.in\nq-e-qe-7.6/HP/examples/example03/run_example\nq-e-qe-7.6/HP/examples/example04/\nq-e-qe-7.6/HP/examples/example04/reference/\nq-e-qe-7.6/HP/examples/example04/reference/Ni.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example04/reference/Ni.hp.in\nq-e-qe-7.6/HP/examples/example04/reference/Ni.scf.in\nq-e-qe-7.6/HP/examples/example04/run_example\nq-e-qe-7.6/HP/examples/example05/\nq-e-qe-7.6/HP/examples/example05/reference/\nq-e-qe-7.6/HP/examples/example05/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example05/reference/LiCoO2.hp.in\nq-e-qe-7.6/HP/examples/example05/reference/LiCoO2.scf.in\nq-e-qe-7.6/HP/examples/example05/run_example\nq-e-qe-7.6/HP/examples/example06/\nq-e-qe-7.6/HP/examples/example06/reference/\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.hp.Mn.in\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.hp.Ni.in\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.hp.final.in\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.scf.in\nq-e-qe-7.6/HP/examples/example06/run_example\nq-e-qe-7.6/HP/examples/example07/\nq-e-qe-7.6/HP/examples/example07/reference/\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step1.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step2.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step3.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step1.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step2.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step3.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.final.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.scf.in\nq-e-qe-7.6/HP/examples/example07/run_example\nq-e-qe-7.6/HP/examples/example08/\nq-e-qe-7.6/HP/examples/example08/reference/\nq-e-qe-7.6/HP/examples/example08/reference/NiO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example08/reference/NiO2.hp.in\nq-e-qe-7.6/HP/examples/example08/reference/NiO2.scf.in\nq-e-qe-7.6/HP/examples/example08/run_example\nq-e-qe-7.6/HP/examples/example09/\nq-e-qe-7.6/HP/examples/example09/reference/\nq-e-qe-7.6/HP/examples/example09/reference/CoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example09/reference/CoO2.hp.in\nq-e-qe-7.6/HP/examples/example09/reference/CoO2.scf.in\nq-e-qe-7.6/HP/examples/example09/run_example\nq-e-qe-7.6/HP/examples/example10/\nq-e-qe-7.6/HP/examples/example10/reference/\nq-e-qe-7.6/HP/examples/example10/reference/HUBBARD.dat\nq-e-qe-7.6/HP/examples/example10/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example10/reference/LiCoO2.hp.in\nq-e-qe-7.6/HP/examples/example10/reference/LiCoO2.scf.in\nq-e-qe-7.6/HP/examples/example10/run_example\nq-e-qe-7.6/HP/examples/run_all_examples\nq-e-qe-7.6/HP/src/\nq-e-qe-7.6/HP/src/Makefile\nq-e-qe-7.6/HP/src/hp_R_points.f90\nq-e-qe-7.6/HP/src/hp_allocate_q.f90\nq-e-qe-7.6/HP/src/hp_bcast_input.f90\nq-e-qe-7.6/HP/src/hp_calc_chi.f90\nq-e-qe-7.6/HP/src/hp_check_pert.f90\nq-e-qe-7.6/HP/src/hp_check_type.f90\nq-e-qe-7.6/HP/src/hp_clean_q.f90\nq-e-qe-7.6/HP/src/hp_close_q.f90\nq-e-qe-7.6/HP/src/hp_dealloc_1.f90\nq-e-qe-7.6/HP/src/hp_dealloc_2.f90\nq-e-qe-7.6/HP/src/hp_dealloc_q.f90\nq-e-qe-7.6/HP/src/hp_dnsq.f90\nq-e-qe-7.6/HP/src/hp_dnstot_sum_q.f90\nq-e-qe-7.6/HP/src/hp_dvpsi_pert.f90\nq-e-qe-7.6/HP/src/hp_find_inequiv_sites.f90\nq-e-qe-7.6/HP/src/hp_generate_grids.f90\nq-e-qe-7.6/HP/src/hp_init.f90\nq-e-qe-7.6/HP/src/hp_init_q.f90\nq-e-qe-7.6/HP/src/hp_load_q.f90\nq-e-qe-7.6/HP/src/hp_main.f90\nq-e-qe-7.6/HP/src/hp_ns_trace.f90\nq-e-qe-7.6/HP/src/hp_openfil_q.f90\nq-e-qe-7.6/HP/src/hp_postproc.f90\nq-e-qe-7.6/HP/src/hp_prepare_q.f90\nq-e-qe-7.6/HP/src/hp_print_clock.f90\nq-e-qe-7.6/HP/src/hp_psym_dmag.f90\nq-e-qe-7.6/HP/src/hp_psymdvscf.f90\nq-e-qe-7.6/HP/src/hp_q_points.f90\nq-e-qe-7.6/HP/src/hp_read_chi.f90\nq-e-qe-7.6/HP/src/hp_read_dnsq.f90\nq-e-qe-7.6/HP/src/hp_readin.f90\nq-e-qe-7.6/HP/src/hp_rotate_dnsq.f90\nq-e-qe-7.6/HP/src/hp_run_nscf.f90\nq-e-qe-7.6/HP/src/hp_setup_q.f90\nq-e-qe-7.6/HP/src/hp_solve_linear_system.f90\nq-e-qe-7.6/HP/src/hp_stop_smoothly.f90\nq-e-qe-7.6/HP/src/hp_summary.f90\nq-e-qe-7.6/HP/src/hp_summary_q.f90\nq-e-qe-7.6/HP/src/hp_sym_dmag.f90\nq-e-qe-7.6/HP/src/hp_symdnsq.f90\nq-e-qe-7.6/HP/src/hp_symdvscf.f90\nq-e-qe-7.6/HP/src/hp_write_chi.f90\nq-e-qe-7.6/HP/src/hp_write_chi_full.f90\nq-e-qe-7.6/HP/src/hp_write_dnsq.f90\nq-e-qe-7.6/HP/src/hpcom.f90\nq-e-qe-7.6/KCW/\nq-e-qe-7.6/KCW/CMakeLists.txt\nq-e-qe-7.6/KCW/Doc/\nq-e-qe-7.6/KCW/Doc/INPUT_kcw.def\nq-e-qe-7.6/KCW/Doc/Makefile\nq-e-qe-7.6/KCW/Doc/input_xx.xsl\nq-e-qe-7.6/KCW/Makefile\nq-e-qe-7.6/KCW/PP/\nq-e-qe-7.6/KCW/PP/CMakeLists.txt\nq-e-qe-7.6/KCW/PP/Makefile\nq-e-qe-7.6/KCW/PP/bcast_kcw_pp_input.f90\nq-e-qe-7.6/KCW/PP/compute_self_hartree.f90\nq-e-qe-7.6/KCW/PP/input_pp_summary.f90\nq-e-qe-7.6/KCW/PP/interp_r_to_k.f90\nq-e-qe-7.6/KCW/PP/kcw_bands.f90\nq-e-qe-7.6/KCW/PP/kcw_pp_readin.f90\nq-e-qe-7.6/KCW/PP/makedeps.sh\nq-e-qe-7.6/KCW/PP/merge_Umat.f90\nq-e-qe-7.6/KCW/PP/merge_wann.f90\nq-e-qe-7.6/KCW/PP/read_hr.f90\nq-e-qe-7.6/KCW/PP/sh_setup.f90\nq-e-qe-7.6/KCW/PP/ups.f90\nq-e-qe-7.6/KCW/diff_7.2-7.1.txt\nq-e-qe-7.6/KCW/diff_wrt_v7.1.txt\nq-e-qe-7.6/KCW/examples/\nq-e-qe-7.6/KCW/examples/.gitignore\nq-e-qe-7.6/KCW/examples/example01/\nq-e-qe-7.6/KCW/examples/example01/README\nq-e-qe-7.6/KCW/examples/example01/compare.sh\nq-e-qe-7.6/KCW/examples/example01/reference/\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example01/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example01/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example01/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example01/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example01/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example01/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example01/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example01/run_example\nq-e-qe-7.6/KCW/examples/example01_sym/\nq-e-qe-7.6/KCW/examples/example01_sym/README\nq-e-qe-7.6/KCW/examples/example01_sym/compare.sh\nq-e-qe-7.6/KCW/examples/example01_sym/compare_nosym.sh\nq-e-qe-7.6/KCW/examples/example01_sym/reference/\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example01_sym/run_example\nq-e-qe-7.6/KCW/examples/example02/\nq-e-qe-7.6/KCW/examples/example02/README\nq-e-qe-7.6/KCW/examples/example02/compare.sh\nq-e-qe-7.6/KCW/examples/example02/reference/\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.scf.out\nq-e-qe-7.6/KCW/examples/example02/run_example\nq-e-qe-7.6/KCW/examples/example03/\nq-e-qe-7.6/KCW/examples/example03/compare.sh\nq-e-qe-7.6/KCW/examples/example03/reference/\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcwpp_bands.dat\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcwpp_interp.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcwpp_sh.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example03/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example03/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example03/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example03/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example03/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example03/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example03/run_example\nq-e-qe-7.6/KCW/examples/example04/\nq-e-qe-7.6/KCW/examples/example04/README\nq-e-qe-7.6/KCW/examples/example04/compare.sh\nq-e-qe-7.6/KCW/examples/example04/reference/\nq-e-qe-7.6/KCW/examples/example04/reference/GaAs.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example04/reference/GaAs.nscf.out\nq-e-qe-7.6/KCW/examples/example04/reference/GaAs.scf.out\nq-e-qe-7.6/KCW/examples/example04/reference/kc.kho\nq-e-qe-7.6/KCW/examples/example04/reference/kc.w2ko\nq-e-qe-7.6/KCW/examples/example04/reference/merge_U.out\nq-e-qe-7.6/KCW/examples/example04/reference/merge_centres.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_u.mat\nq-e-qe-7.6/KCW/examples/example04/reference_1block/\nq-e-qe-7.6/KCW/examples/example04/reference_1block/GaAs.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example04/reference_1block/GaAs.nscf.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/GaAs.scf.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/kc.kho\nq-e-qe-7.6/KCW/examples/example04/reference_1block/kc.w2ko\nq-e-qe-7.6/KCW/examples/example04/reference_1block/merge_U.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/merge_centres.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_u.mat\nq-e-qe-7.6/KCW/examples/example04/run_example\nq-e-qe-7.6/KCW/examples/example04/run_example_1block\nq-e-qe-7.6/KCW/examples/example05.1/\nq-e-qe-7.6/KCW/examples/example05.1/README.md\nq-e-qe-7.6/KCW/examples/example05.1/clean_all.sh\nq-e-qe-7.6/KCW/examples/example05.1/compare.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/CRASH\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/CRASH\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/.kc.w2ko.swp\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/pseudo/\nq-e-qe-7.6/KCW/examples/example05.1/pseudo/Si.upf\nq-e-qe-7.6/KCW/examples/example05.1/pseudo/Si_r.upf\nq-e-qe-7.6/KCW/examples/example05.1/run_all.sh\nq-e-qe-7.6/KCW/examples/example05/\nq-e-qe-7.6/KCW/examples/example05/compare.sh\nq-e-qe-7.6/KCW/examples/example05/reference/\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example05/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example05/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example05/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example05/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example05/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example05/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example05/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example05/run_example\nq-e-qe-7.6/KCW/examples/example06/\nq-e-qe-7.6/KCW/examples/example06/README\nq-e-qe-7.6/KCW/examples/example06/compare.sh\nq-e-qe-7.6/KCW/examples/example06/reference/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/file_alpharef.txt\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_U.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_U_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_centre.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_centre_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_emp_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_emp_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/cri3.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/cri3.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/cri3.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/file_alpharef.txt\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_U.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_U_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_centre.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_centre_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_emp_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_emp_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/cri3.scf.out\nq-e-qe-7.6/KCW/examples/example06/run_example\nq-e-qe-7.6/KCW/examples/run_all.sh\nq-e-qe-7.6/KCW/examples/test_io/\nq-e-qe-7.6/KCW/examples/test_io/README\nq-e-qe-7.6/KCW/examples/test_io/example01/\nq-e-qe-7.6/KCW/examples/test_io/example01/compare.sh\nq-e-qe-7.6/KCW/examples/test_io/example01/run_example\nq-e-qe-7.6/KCW/examples/test_io/example02/\nq-e-qe-7.6/KCW/examples/test_io/example02/compare.sh\nq-e-qe-7.6/KCW/examples/test_io/example02/run_example\nq-e-qe-7.6/KCW/examples/test_io/example03/\nq-e-qe-7.6/KCW/examples/test_io/example03/compare.sh\nq-e-qe-7.6/KCW/examples/test_io/example03/run_example\nq-e-qe-7.6/KCW/examples/test_io/run_all.sh\nq-e-qe-7.6/KCW/kcw.md\nq-e-qe-7.6/KCW/src/\nq-e-qe-7.6/KCW/src/CMakeLists.txt\nq-e-qe-7.6/KCW/src/Makefile\nq-e-qe-7.6/KCW/src/alpha_corr.f90\nq-e-qe-7.6/KCW/src/apply_u_matrix.f90\nq-e-qe-7.6/KCW/src/bare_pot.f90\nq-e-qe-7.6/KCW/src/bcast_kcw_input.f90\nq-e-qe-7.6/KCW/src/bcast_wfc.f90\nq-e-qe-7.6/KCW/src/calculate_phase.f90\nq-e-qe-7.6/KCW/src/clean_pw_kcw.f90\nq-e-qe-7.6/KCW/src/close_kcw.f90\nq-e-qe-7.6/KCW/src/compute_map_ikq.f90\nq-e-qe-7.6/KCW/src/compute_map_ikq_single.f90\nq-e-qe-7.6/KCW/src/convert_kpts_names.f90\nq-e-qe-7.6/KCW/src/coulomb.f90\nq-e-qe-7.6/KCW/src/find_IBZ_q.f90\nq-e-qe-7.6/KCW/src/full_ham.f90\nq-e-qe-7.6/KCW/src/group_orbitals.f90\nq-e-qe-7.6/KCW/src/ham_R0_2nd.f90\nq-e-qe-7.6/KCW/src/hamilt.f90\nq-e-qe-7.6/KCW/src/input_summary.f90\nq-e-qe-7.6/KCW/src/interpolation.f90\nq-e-qe-7.6/KCW/src/kcw.f90\nq-e-qe-7.6/KCW/src/kcw_R_points.f90\nq-e-qe-7.6/KCW/src/kcw_allocate_q.f90\nq-e-qe-7.6/KCW/src/kcw_comm.f90\nq-e-qe-7.6/KCW/src/kcw_deallocate_q.f90\nq-e-qe-7.6/KCW/src/kcw_deallocate_symmetry_arrays.f90\nq-e-qe-7.6/KCW/src/kcw_ham.f90\nq-e-qe-7.6/KCW/src/kcw_init_q.f90\nq-e-qe-7.6/KCW/src/kcw_initialize_ph.f90\nq-e-qe-7.6/KCW/src/kcw_io_new.f90\nq-e-qe-7.6/KCW/src/kcw_kpoint_grid.f90\nq-e-qe-7.6/KCW/src/kcw_openfilq.f90\nq-e-qe-7.6/KCW/src/kcw_prepare_q.f90\nq-e-qe-7.6/KCW/src/kcw_q_setup.f90\nq-e-qe-7.6/KCW/src/kcw_read_sym.f90\nq-e-qe-7.6/KCW/src/kcw_readin.f90\nq-e-qe-7.6/KCW/src/kcw_run_nscf.f90\nq-e-qe-7.6/KCW/src/kcw_screen.f90\nq-e-qe-7.6/KCW/src/kcw_setup.f90\nq-e-qe-7.6/KCW/src/kcw_setup_ham.f90\nq-e-qe-7.6/KCW/src/kcw_setup_screen.f90\nq-e-qe-7.6/KCW/src/kcw_write_sym.f90\nq-e-qe-7.6/KCW/src/koopmans_ham.f90\nq-e-qe-7.6/KCW/src/ks_hamiltonian.f90\nq-e-qe-7.6/KCW/src/makedeps.sh\nq-e-qe-7.6/KCW/src/print_clock_kcw.f90\nq-e-qe-7.6/KCW/src/read_alpha.f90\nq-e-qe-7.6/KCW/src/read_qlist_ibz.f90\nq-e-qe-7.6/KCW/src/read_wannier.f90\nq-e-qe-7.6/KCW/src/rho_of_q.f90\nq-e-qe-7.6/KCW/src/rotate_ks.f90\nq-e-qe-7.6/KCW/src/screen_coeff.f90\nq-e-qe-7.6/KCW/src/self_hartree.f90\nq-e-qe-7.6/KCW/src/setup_coulomb.f90\nq-e-qe-7.6/KCW/src/setup_coulomb_exx.f90\nq-e-qe-7.6/KCW/src/solve_linter_koop_mod.f90\nq-e-qe-7.6/KCW/src/structure_factor.f90\nq-e-qe-7.6/KCW/src/wann2kcw.f90\nq-e-qe-7.6/KCW/src/write_hr_to_file.f90\nq-e-qe-7.6/KCW/src/write_qlist_ibz.f90\nq-e-qe-7.6/KS_Solvers/\nq-e-qe-7.6/KS_Solvers/CG/\nq-e-qe-7.6/KS_Solvers/CG/Makefile\nq-e-qe-7.6/KS_Solvers/CG/ccgdiagg.f90\nq-e-qe-7.6/KS_Solvers/CG/rcgdiagg.f90\nq-e-qe-7.6/KS_Solvers/CMakeLists.txt\nq-e-qe-7.6/KS_Solvers/DENSE/\nq-e-qe-7.6/KS_Solvers/DENSE/Makefile\nq-e-qe-7.6/KS_Solvers/DENSE/gram_schmidt_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/gram_schmidt_k.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_HSpsi_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_HSpsi_k.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_driver.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_wfc_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_wfc_k.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_xpsi_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_xpsi_k.f90\nq-e-qe-7.6/KS_Solvers/Davidson/\nq-e-qe-7.6/KS_Solvers/Davidson/Makefile\nq-e-qe-7.6/KS_Solvers/Davidson/cegterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson/pcegterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson/pregterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson/regterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson_RCI/\nq-e-qe-7.6/KS_Solvers/Davidson_RCI/Makefile\nq-e-qe-7.6/KS_Solvers/Davidson_RCI/david_rci.f90\nq-e-qe-7.6/KS_Solvers/Direct/\nq-e-qe-7.6/KS_Solvers/Direct/Makefile\nq-e-qe-7.6/KS_Solvers/Direct/direct_diag_k.f90\nq-e-qe-7.6/KS_Solvers/Makefile\nq-e-qe-7.6/KS_Solvers/ParO/\nq-e-qe-7.6/KS_Solvers/ParO/Makefile\nq-e-qe-7.6/KS_Solvers/ParO/bpcg_gamma.f90\nq-e-qe-7.6/KS_Solvers/ParO/bpcg_k.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_gamma.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_gamma_new.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_k.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_k_new.f90\nq-e-qe-7.6/KS_Solvers/ParO/pcg_gamma.f90\nq-e-qe-7.6/KS_Solvers/ParO/pcg_k.f90\nq-e-qe-7.6/KS_Solvers/RMM/\nq-e-qe-7.6/KS_Solvers/RMM/Makefile\nq-e-qe-7.6/KS_Solvers/RMM/crmmdiagg.f90\nq-e-qe-7.6/KS_Solvers/RMM/rrmmdiagg.f90\nq-e-qe-7.6/KS_Solvers/ks_solver_interfaces.h\nq-e-qe-7.6/LAXlib/\nq-e-qe-7.6/LAXlib/CMakeLists.txt\nq-e-qe-7.6/LAXlib/Makefile\nq-e-qe-7.6/LAXlib/README.TEST\nq-e-qe-7.6/LAXlib/cdiagh.f90\nq-e-qe-7.6/LAXlib/cdiaghg.f90\nq-e-qe-7.6/LAXlib/distools.f90\nq-e-qe-7.6/LAXlib/dspev_drv.f90\nq-e-qe-7.6/LAXlib/la_error.f90\nq-e-qe-7.6/LAXlib/la_helper.f90\nq-e-qe-7.6/LAXlib/la_module.f90\nq-e-qe-7.6/LAXlib/la_param.f90\nq-e-qe-7.6/LAXlib/la_types.f90\nq-e-qe-7.6/LAXlib/laxlib.h\nq-e-qe-7.6/LAXlib/laxlib_hi.h\nq-e-qe-7.6/LAXlib/laxlib_kinds.h\nq-e-qe-7.6/LAXlib/laxlib_low.h\nq-e-qe-7.6/LAXlib/laxlib_mid.h\nq-e-qe-7.6/LAXlib/laxlib_param.h\nq-e-qe-7.6/LAXlib/mp_diag.f90\nq-e-qe-7.6/LAXlib/ptoolkit.f90\nq-e-qe-7.6/LAXlib/rdiagh.f90\nq-e-qe-7.6/LAXlib/rdiaghg.f90\nq-e-qe-7.6/LAXlib/test.f90\nq-e-qe-7.6/LAXlib/tests/\nq-e-qe-7.6/LAXlib/tests/.gitattributes\nq-e-qe-7.6/LAXlib/tests/CMakeLists.txt\nq-e-qe-7.6/LAXlib/tests/Makefile\nq-e-qe-7.6/LAXlib/tests/README.md\nq-e-qe-7.6/LAXlib/tests/ZnOG1.bin\nq-e-qe-7.6/LAXlib/tests/ZnOG2.bin\nq-e-qe-7.6/LAXlib/tests/ZnOK1.bin\nq-e-qe-7.6/LAXlib/tests/ZnOK2.bin\nq-e-qe-7.6/LAXlib/tests/mp_world.f90\nq-e-qe-7.6/LAXlib/tests/test_diagh_1.f90\nq-e-qe-7.6/LAXlib/tests/test_diagh_2.f90\nq-e-qe-7.6/LAXlib/tests/test_diagh_4.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_1.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_2.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_3.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_4.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_1.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_2.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_3.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_4.f90\nq-e-qe-7.6/LAXlib/tests/test_helpers.f90\nq-e-qe-7.6/LAXlib/tests/test_io.f90\nq-e-qe-7.6/LAXlib/tests/test_lapack_zdotc.f90\nq-e-qe-7.6/LAXlib/tests/tester.f90\nq-e-qe-7.6/LAXlib/tests/utils.f90\nq-e-qe-7.6/LAXlib/transto.f90\nq-e-qe-7.6/LAXlib/zhpev_drv.f90\nq-e-qe-7.6/LR_Modules/\nq-e-qe-7.6/LR_Modules/CMakeLists.txt\nq-e-qe-7.6/LR_Modules/Coul_cut_2D_ph.f90\nq-e-qe-7.6/LR_Modules/Makefile\nq-e-qe-7.6/LR_Modules/adddvepsi_us.f90\nq-e-qe-7.6/LR_Modules/adddvhubscf.f90\nq-e-qe-7.6/LR_Modules/adddvscf.f90\nq-e-qe-7.6/LR_Modules/addusdbec.f90\nq-e-qe-7.6/LR_Modules/addusdbec_nc.f90\nq-e-qe-7.6/LR_Modules/addusldos.f90\nq-e-qe-7.6/LR_Modules/apply_dpot.f90\nq-e-qe-7.6/LR_Modules/apply_dpot_mod.f90\nq-e-qe-7.6/LR_Modules/apply_trev.f90\nq-e-qe-7.6/LR_Modules/c_bands_ph.f90\nq-e-qe-7.6/LR_Modules/ccg_psi.f90\nq-e-qe-7.6/LR_Modules/ccgsolve_all.f90\nq-e-qe-7.6/LR_Modules/cft_wave.f90\nq-e-qe-7.6/LR_Modules/cg_psi.f90\nq-e-qe-7.6/LR_Modules/cgsolve_all.f90\nq-e-qe-7.6/LR_Modules/ch_psi_all.f90\nq-e-qe-7.6/LR_Modules/ch_psi_all_complex.f90\nq-e-qe-7.6/LR_Modules/check_q_points_sym.f90\nq-e-qe-7.6/LR_Modules/compute_vsgga.f90\nq-e-qe-7.6/LR_Modules/dfpt_kernels.f90\nq-e-qe-7.6/LR_Modules/dfpt_tetra_mod.f90\nq-e-qe-7.6/LR_Modules/dfpt_type.f90\nq-e-qe-7.6/LR_Modules/dgradcorr.f90\nq-e-qe-7.6/LR_Modules/dnonloccorr.f90\nq-e-qe-7.6/LR_Modules/dnsq_scf.f90\nq-e-qe-7.6/LR_Modules/dv_of_drho.f90\nq-e-qe-7.6/LR_Modules/dv_rVV10.f90\nq-e-qe-7.6/LR_Modules/dv_vdW_DF.f90\nq-e-qe-7.6/LR_Modules/dynmat_sub.f90\nq-e-qe-7.6/LR_Modules/efermi_shift.f90\nq-e-qe-7.6/LR_Modules/h_prec.f90\nq-e-qe-7.6/LR_Modules/h_prec_freq.f90\nq-e-qe-7.6/LR_Modules/incdrhoscf_mod.f90\nq-e-qe-7.6/LR_Modules/lanczos_nonhermitian.f90\nq-e-qe-7.6/LR_Modules/lanczos_nonhermitian_c.f90\nq-e-qe-7.6/LR_Modules/lanczos_pseudohermitian.f90\nq-e-qe-7.6/LR_Modules/lanczos_pseudohermitian_c.f90\nq-e-qe-7.6/LR_Modules/localdos.f90\nq-e-qe-7.6/LR_Modules/lr_addusddens.f90\nq-e-qe-7.6/LR_Modules/lr_dot.f90\nq-e-qe-7.6/LR_Modules/lr_dot_magnons.f90\nq-e-qe-7.6/LR_Modules/lr_nc_mag.f90\nq-e-qe-7.6/LR_Modules/lr_orthoUwfc.f90\nq-e-qe-7.6/LR_Modules/lr_restart.f90\nq-e-qe-7.6/LR_Modules/lr_sm1_psi.f90\nq-e-qe-7.6/LR_Modules/lr_sym_mod.f90\nq-e-qe-7.6/LR_Modules/lr_sym_paw.f90\nq-e-qe-7.6/LR_Modules/lr_two_chem.f90\nq-e-qe-7.6/LR_Modules/lrcom.f90\nq-e-qe-7.6/LR_Modules/mix_pot.f90\nq-e-qe-7.6/LR_Modules/mode_group.f90\nq-e-qe-7.6/LR_Modules/newdq.f90\nq-e-qe-7.6/LR_Modules/non_scf_ph.f90\nq-e-qe-7.6/LR_Modules/orthogonalize.f90\nq-e-qe-7.6/LR_Modules/orthogonalize_omega.f90\nq-e-qe-7.6/LR_Modules/psymdvscf.f90\nq-e-qe-7.6/LR_Modules/qdipol_cryst.f90\nq-e-qe-7.6/LR_Modules/qpoint.f90\nq-e-qe-7.6/LR_Modules/response_kernels.f90\nq-e-qe-7.6/LR_Modules/set_dbecsum_nc.f90\nq-e-qe-7.6/LR_Modules/set_int3_nc.f90\nq-e-qe-7.6/LR_Modules/set_intq_nc.f90\nq-e-qe-7.6/LR_Modules/set_kplusq_nc.f90\nq-e-qe-7.6/LR_Modules/set_small_group_of_q.f90\nq-e-qe-7.6/LR_Modules/setqmod.f90\nq-e-qe-7.6/LR_Modules/setup_alpha_pv.f90\nq-e-qe-7.6/LR_Modules/setup_dgc.f90\nq-e-qe-7.6/LR_Modules/setup_dmuxc.f90\nq-e-qe-7.6/LR_Modules/setup_nbnd_occ.f90\nq-e-qe-7.6/LR_Modules/setup_nscf.f90\nq-e-qe-7.6/LR_Modules/sgam_lr.f90\nq-e-qe-7.6/LR_Modules/smallgq.f90\nq-e-qe-7.6/LR_Modules/star_q.f90\nq-e-qe-7.6/LR_Modules/sym_def.f90\nq-e-qe-7.6/LR_Modules/sym_dmag.f90\nq-e-qe-7.6/LR_Modules/sym_dns.f90\nq-e-qe-7.6/LR_Modules/symdvscf.f90\nq-e-qe-7.6/LR_Modules/twochem_postproc_dfpt.f90\nq-e-qe-7.6/License\nq-e-qe-7.6/Makefile\nq-e-qe-7.6/Modules/\nq-e-qe-7.6/Modules/CMakeLists.txt\nq-e-qe-7.6/Modules/Makefile\nq-e-qe-7.6/Modules/additional_kpoints.f90\nq-e-qe-7.6/Modules/allocate_fft_3drism.f90\nq-e-qe-7.6/Modules/atom_weight.f90\nq-e-qe-7.6/Modules/atomic_wfc_mod.f90\nq-e-qe-7.6/Modules/autopilot.f90\nq-e-qe-7.6/Modules/basic_algebra_routines.f90\nq-e-qe-7.6/Modules/becmod.f90\nq-e-qe-7.6/Modules/bfgs_module.f90\nq-e-qe-7.6/Modules/bspline.f90\nq-e-qe-7.6/Modules/bz_form.f90\nq-e-qe-7.6/Modules/cell_base.f90\nq-e-qe-7.6/Modules/cell_nose.f90\nq-e-qe-7.6/Modules/check_stop.f90\nq-e-qe-7.6/Modules/chempot.f90\nq-e-qe-7.6/Modules/chempot_lauerism.f90\nq-e-qe-7.6/Modules/closure.f90\nq-e-qe-7.6/Modules/command_line_options.f90\nq-e-qe-7.6/Modules/compute_dipole.f90\nq-e-qe-7.6/Modules/constants.f90\nq-e-qe-7.6/Modules/constraints_module.f90\nq-e-qe-7.6/Modules/control_flags.f90\nq-e-qe-7.6/Modules/copy_order_um_from_xml.f90\nq-e-qe-7.6/Modules/corrdipole_laue.f90\nq-e-qe-7.6/Modules/correctat0_vv.f90\nq-e-qe-7.6/Modules/corrgxy0_laue.f90\nq-e-qe-7.6/Modules/coulomb_vcut.f90\nq-e-qe-7.6/Modules/cryst_to_car.f90\nq-e-qe-7.6/Modules/cryst_to_car_2d.f90\nq-e-qe-7.6/Modules/customize_signals.c\nq-e-qe-7.6/Modules/data_structure_3drism.f90\nq-e-qe-7.6/Modules/date_and_tim.f90\nq-e-qe-7.6/Modules/deviatoric.f90\nq-e-qe-7.6/Modules/dist.f90\nq-e-qe-7.6/Modules/do_1drism.f90\nq-e-qe-7.6/Modules/do_3drism.f90\nq-e-qe-7.6/Modules/do_lauerism.f90\nq-e-qe-7.6/Modules/electrons_base.f90\nq-e-qe-7.6/Modules/environ_api_stub.f90\nq-e-qe-7.6/Modules/environ_base_module.f90\nq-e-qe-7.6/Modules/environment.f90\nq-e-qe-7.6/Modules/eqn_1drism.f90\nq-e-qe-7.6/Modules/eqn_3drism.f90\nq-e-qe-7.6/Modules/eqn_lauedipole.f90\nq-e-qe-7.6/Modules/eqn_lauegxy0.f90\nq-e-qe-7.6/Modules/eqn_lauelong.f90\nq-e-qe-7.6/Modules/eqn_lauerism.f90\nq-e-qe-7.6/Modules/eqn_laueshort.f90\nq-e-qe-7.6/Modules/eqn_lauevoid.f90\nq-e-qe-7.6/Modules/err_rism.f90\nq-e-qe-7.6/Modules/expint.f90\nq-e-qe-7.6/Modules/extffield.f90\nq-e-qe-7.6/Modules/fd_gradient.f90\nq-e-qe-7.6/Modules/fft_base.f90\nq-e-qe-7.6/Modules/fft_rho.f90\nq-e-qe-7.6/Modules/fft_wave.f90\nq-e-qe-7.6/Modules/fox_init_module.f90\nq-e-qe-7.6/Modules/fsockets.f90\nq-e-qe-7.6/Modules/funct.f90\nq-e-qe-7.6/Modules/generate_function.f90\nq-e-qe-7.6/Modules/generate_k_along_lines.f90\nq-e-qe-7.6/Modules/gradutils.f90\nq-e-qe-7.6/Modules/guess_3drism.f90\nq-e-qe-7.6/Modules/gvecw.f90\nq-e-qe-7.6/Modules/has_xml.f90\nq-e-qe-7.6/Modules/hdf5_qe.f90\nq-e-qe-7.6/Modules/init_1drism.f90\nq-e-qe-7.6/Modules/init_3drism.f90\nq-e-qe-7.6/Modules/inpfile.f90\nq-e-qe-7.6/Modules/input_1drism.f90\nq-e-qe-7.6/Modules/input_3drism.f90\nq-e-qe-7.6/Modules/input_parameters.f90\nq-e-qe-7.6/Modules/int_to_char.f90\nq-e-qe-7.6/Modules/invmat.f90\nq-e-qe-7.6/Modules/io_base.f90\nq-e-qe-7.6/Modules/io_files.f90\nq-e-qe-7.6/Modules/io_global.f90\nq-e-qe-7.6/Modules/io_rism_xml.f90\nq-e-qe-7.6/Modules/ions_base.f90\nq-e-qe-7.6/Modules/ions_nose.f90\nq-e-qe-7.6/Modules/kind.f90\nq-e-qe-7.6/Modules/latgen.f90\nq-e-qe-7.6/Modules/lauefft.f90\nq-e-qe-7.6/Modules/lauefft_subs.f90\nq-e-qe-7.6/Modules/linpack.f90\nq-e-qe-7.6/Modules/lj_forcefield.f90\nq-e-qe-7.6/Modules/lj_solute.f90\nq-e-qe-7.6/Modules/lmdif.f90\nq-e-qe-7.6/Modules/makov_payne.f90\nq-e-qe-7.6/Modules/mbdlib.f90\nq-e-qe-7.6/Modules/mdiis.f90\nq-e-qe-7.6/Modules/mm_dispersion.f90\nq-e-qe-7.6/Modules/molebridge_vv.f90\nq-e-qe-7.6/Modules/molecorr_vv.f90\nq-e-qe-7.6/Modules/molecule_const.f90\nq-e-qe-7.6/Modules/molecule_types.f90\nq-e-qe-7.6/Modules/more_functionals.f90\nq-e-qe-7.6/Modules/mp_bands.f90\nq-e-qe-7.6/Modules/mp_exx.f90\nq-e-qe-7.6/Modules/mp_global.f90\nq-e-qe-7.6/Modules/mp_images.f90\nq-e-qe-7.6/Modules/mp_pools.f90\nq-e-qe-7.6/Modules/mp_rism.f90\nq-e-qe-7.6/Modules/mp_swap_ax_rism.f90\nq-e-qe-7.6/Modules/mp_wave.f90\nq-e-qe-7.6/Modules/mp_world.f90\nq-e-qe-7.6/Modules/noncol.f90\nq-e-qe-7.6/Modules/normalize_lauerism.f90\nq-e-qe-7.6/Modules/open_close_input_file.f90\nq-e-qe-7.6/Modules/parameters.f90\nq-e-qe-7.6/Modules/parser.f90\nq-e-qe-7.6/Modules/plot_io.f90\nq-e-qe-7.6/Modules/plot_rism.f90\nq-e-qe-7.6/Modules/plugin_arguments.f90\nq-e-qe-7.6/Modules/plugin_flags.f90\nq-e-qe-7.6/Modules/plugin_variables.f90\nq-e-qe-7.6/Modules/potential_3drism.f90\nq-e-qe-7.6/Modules/potential_esm.f90\nq-e-qe-7.6/Modules/potential_vv.f90\nq-e-qe-7.6/Modules/print_chempot_3drism.f90\nq-e-qe-7.6/Modules/print_chempot_lauerism.f90\nq-e-qe-7.6/Modules/print_chempot_vv.f90\nq-e-qe-7.6/Modules/print_corr_vv.f90\nq-e-qe-7.6/Modules/print_solvavg.f90\nq-e-qe-7.6/Modules/printout_base.f90\nq-e-qe-7.6/Modules/pw_dot.f90\nq-e-qe-7.6/Modules/qeh5_module.f90\nq-e-qe-7.6/Modules/qes_bcast_module.f90\nq-e-qe-7.6/Modules/qes_init_module.f90\nq-e-qe-7.6/Modules/qes_libs_module.f90\nq-e-qe-7.6/Modules/qes_read_module.f90\nq-e-qe-7.6/Modules/qes_reset_module.f90\nq-e-qe-7.6/Modules/qes_types_module.f90\nq-e-qe-7.6/Modules/qes_write_module.f90\nq-e-qe-7.6/Modules/qexsd.f90\nq-e-qe-7.6/Modules/qexsd_copy.f90\nq-e-qe-7.6/Modules/qexsd_init.f90\nq-e-qe-7.6/Modules/qexsd_input.f90\nq-e-qe-7.6/Modules/qmmm.f90\nq-e-qe-7.6/Modules/qmmm_aux.c\nq-e-qe-7.6/Modules/radfft.f90\nq-e-qe-7.6/Modules/radial_gradients.f90\nq-e-qe-7.6/Modules/random_numbers.f90\nq-e-qe-7.6/Modules/random_numbers_gpu.f90\nq-e-qe-7.6/Modules/read_cards.f90\nq-e-qe-7.6/Modules/read_input.f90\nq-e-qe-7.6/Modules/read_mol.f90\nq-e-qe-7.6/Modules/read_namelists.f90\nq-e-qe-7.6/Modules/read_pseudo.f90\nq-e-qe-7.6/Modules/read_solv.f90\nq-e-qe-7.6/Modules/recips.f90\nq-e-qe-7.6/Modules/recvec.f90\nq-e-qe-7.6/Modules/recvec_3drism.f90\nq-e-qe-7.6/Modules/recvec_subs.f90\nq-e-qe-7.6/Modules/remove_tot_torque.f90\nq-e-qe-7.6/Modules/rgen.f90\nq-e-qe-7.6/Modules/rism.f90\nq-e-qe-7.6/Modules/rism1d_facade.f90\nq-e-qe-7.6/Modules/rism3d_facade.f90\nq-e-qe-7.6/Modules/rms_residual.f90\nq-e-qe-7.6/Modules/run_info.f90\nq-e-qe-7.6/Modules/scale_fft_3drism.f90\nq-e-qe-7.6/Modules/scale_fft_lauerism.f90\nq-e-qe-7.6/Modules/set_para_diag.f90\nq-e-qe-7.6/Modules/set_signal.f90\nq-e-qe-7.6/Modules/set_vdw_corr.f90\nq-e-qe-7.6/Modules/setqf.f90\nq-e-qe-7.6/Modules/sockets.c\nq-e-qe-7.6/Modules/solute.f90\nq-e-qe-7.6/Modules/solvation_3drism.f90\nq-e-qe-7.6/Modules/solvation_esm.f90\nq-e-qe-7.6/Modules/solvation_force.f90\nq-e-qe-7.6/Modules/solvation_lauerism.f90\nq-e-qe-7.6/Modules/solvation_pbc.f90\nq-e-qe-7.6/Modules/solvation_stress.f90\nq-e-qe-7.6/Modules/solvavg.f90\nq-e-qe-7.6/Modules/solvmol.f90\nq-e-qe-7.6/Modules/sort.f90\nq-e-qe-7.6/Modules/space_group.f90\nq-e-qe-7.6/Modules/summary_1drism.f90\nq-e-qe-7.6/Modules/summary_3drism.f90\nq-e-qe-7.6/Modules/suscept_g0.f90\nq-e-qe-7.6/Modules/suscept_laue.f90\nq-e-qe-7.6/Modules/suscept_laueint.f90\nq-e-qe-7.6/Modules/suscept_vv.f90\nq-e-qe-7.6/Modules/timestep.f90\nq-e-qe-7.6/Modules/trimcheck.f90\nq-e-qe-7.6/Modules/tsvdw.f90\nq-e-qe-7.6/Modules/version.f90\nq-e-qe-7.6/Modules/volume.f90\nq-e-qe-7.6/Modules/w0gauss.f90\nq-e-qe-7.6/Modules/w1gauss.f90\nq-e-qe-7.6/Modules/wannier_gw.f90\nq-e-qe-7.6/Modules/wannier_new.f90\nq-e-qe-7.6/Modules/wave_gauge.f90\nq-e-qe-7.6/Modules/wavefunctions.f90\nq-e-qe-7.6/Modules/wgauss.f90\nq-e-qe-7.6/Modules/write_rism_type.f90\nq-e-qe-7.6/Modules/ws_base.f90\nq-e-qe-7.6/Modules/wyckoff.f90\nq-e-qe-7.6/Modules/wypos.f90\nq-e-qe-7.6/Modules/xc_rVV10.f90\nq-e-qe-7.6/Modules/xc_vdW_DF.f90\nq-e-qe-7.6/Modules/xml_io_rism.f90\nq-e-qe-7.6/Modules/xsf.f90\nq-e-qe-7.6/Modules/zvscal.f90\nq-e-qe-7.6/NEB/\nq-e-qe-7.6/NEB/CMakeLists.txt\nq-e-qe-7.6/NEB/Doc/\nq-e-qe-7.6/NEB/Doc/INPUT_NEB.def\nq-e-qe-7.6/NEB/Doc/Makefile\nq-e-qe-7.6/NEB/Doc/user_guide.pdf\nq-e-qe-7.6/NEB/Doc/user_guide.tex\nq-e-qe-7.6/NEB/Makefile\nq-e-qe-7.6/NEB/examples/\nq-e-qe-7.6/NEB/examples/ESM_example/\nq-e-qe-7.6/NEB/examples/ESM_example/README\nq-e-qe-7.6/NEB/examples/ESM_example/reference/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_1/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_1/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_2/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_2/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_3/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_3/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_4/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_4/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_5/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_5/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/run_example\nq-e-qe-7.6/NEB/examples/ESM_example/run_example_ESM\nq-e-qe-7.6/NEB/examples/ESM_example/run_example_FCP\nq-e-qe-7.6/NEB/examples/ESM_example/run_example_GCSCF\nq-e-qe-7.6/NEB/examples/check-neb.x.j\nq-e-qe-7.6/NEB/examples/clean_all\nq-e-qe-7.6/NEB/examples/example01/\nq-e-qe-7.6/NEB/examples/example01/README\nq-e-qe-7.6/NEB/examples/example01/reference/\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.axsf\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.dat\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.int\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.out\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.path\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.xyz\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.axsf\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.dat\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.int\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.out\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.path\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.xyz\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.axsf\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.dat\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.int\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.out\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.path\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.xyz\nq-e-qe-7.6/NEB/examples/example01/run_example\nq-e-qe-7.6/NEB/examples/neb0.in\nq-e-qe-7.6/NEB/examples/neb0.ref\nq-e-qe-7.6/NEB/examples/neb1.in\nq-e-qe-7.6/NEB/examples/neb1.ref\nq-e-qe-7.6/NEB/examples/neb2.in\nq-e-qe-7.6/NEB/examples/neb2.ref\nq-e-qe-7.6/NEB/src/\nq-e-qe-7.6/NEB/src/Makefile\nq-e-qe-7.6/NEB/src/bcast_file.f90\nq-e-qe-7.6/NEB/src/compute_scf.f90\nq-e-qe-7.6/NEB/src/engine_to_path_alat.f90\nq-e-qe-7.6/NEB/src/engine_to_path_fix_atom_pos.f90\nq-e-qe-7.6/NEB/src/engine_to_path_nat.f90\nq-e-qe-7.6/NEB/src/engine_to_path_pos.f90\nq-e-qe-7.6/NEB/src/engine_to_path_tot_charge.f90\nq-e-qe-7.6/NEB/src/fcp_opt_routines.f90\nq-e-qe-7.6/NEB/src/fcp_variables.f90\nq-e-qe-7.6/NEB/src/gcscf_variables.f90\nq-e-qe-7.6/NEB/src/neb.f90\nq-e-qe-7.6/NEB/src/neb_input.f90\nq-e-qe-7.6/NEB/src/path_base.f90\nq-e-qe-7.6/NEB/src/path_formats.f90\nq-e-qe-7.6/NEB/src/path_gen_inputs.f90\nq-e-qe-7.6/NEB/src/path_input_parameters_module.f90\nq-e-qe-7.6/NEB/src/path_interpolation.f90\nq-e-qe-7.6/NEB/src/path_io_routines.f90\nq-e-qe-7.6/NEB/src/path_io_tools.f90\nq-e-qe-7.6/NEB/src/path_io_units_module.f90\nq-e-qe-7.6/NEB/src/path_opt_routines.f90\nq-e-qe-7.6/NEB/src/path_read_cards_module.f90\nq-e-qe-7.6/NEB/src/path_read_namelists_module.f90\nq-e-qe-7.6/NEB/src/path_reparametrisation.f90\nq-e-qe-7.6/NEB/src/path_to_engine_fix_atom_pos.f90\nq-e-qe-7.6/NEB/src/path_variables.f90\nq-e-qe-7.6/NEB/src/set_defaults.f90\nq-e-qe-7.6/NEB/src/stop_run_path.f90\nq-e-qe-7.6/NEB/tools/\nq-e-qe-7.6/NEB/tools/path_interpolation.sh\nq-e-qe-7.6/NEB/tools/path_merge.sh\nq-e-qe-7.6/PHonon/\nq-e-qe-7.6/PHonon/CMakeLists.txt\nq-e-qe-7.6/PHonon/Doc/\nq-e-qe-7.6/PHonon/Doc/INPUT_DYNMAT.def\nq-e-qe-7.6/PHonon/Doc/INPUT_Gamma\nq-e-qe-7.6/PHonon/Doc/INPUT_MATDYN.def\nq-e-qe-7.6/PHonon/Doc/INPUT_PH.def\nq-e-qe-7.6/PHonon/Doc/INPUT_POSTAHC.def\nq-e-qe-7.6/PHonon/Doc/INPUT_Q2R.def\nq-e-qe-7.6/PHonon/Doc/Makefile\nq-e-qe-7.6/PHonon/Doc/developer_man.pdf\nq-e-qe-7.6/PHonon/Doc/dfpt_self_energy.pdf\nq-e-qe-7.6/PHonon/Doc/dfpt_self_energy.tex\nq-e-qe-7.6/PHonon/Doc/dfpt_tetra.pdf\nq-e-qe-7.6/PHonon/Doc/dfpt_tetra.tex\nq-e-qe-7.6/PHonon/Doc/input_xx.xsl\nq-e-qe-7.6/PHonon/Doc/pic/\nq-e-qe-7.6/PHonon/Doc/pic/elph_tetra.pdf\nq-e-qe-7.6/PHonon/Doc/user_guide.pdf\nq-e-qe-7.6/PHonon/Doc/user_guide.tex\nq-e-qe-7.6/PHonon/FD/\nq-e-qe-7.6/PHonon/FD/Makefile\nq-e-qe-7.6/PHonon/FD/example/\nq-e-qe-7.6/PHonon/FD/example/README\nq-e-qe-7.6/PHonon/FD/example/Si_example/\nq-e-qe-7.6/PHonon/FD/example/Si_example/fd.in\nq-e-qe-7.6/PHonon/FD/example/Si_example/fd_ifc.in\nq-e-qe-7.6/PHonon/FD/example/Si_example/run_fd\nq-e-qe-7.6/PHonon/FD/example/Si_example/si.scf.in\nq-e-qe-7.6/PHonon/FD/fd.f90\nq-e-qe-7.6/PHonon/FD/fd_ef.f90\nq-e-qe-7.6/PHonon/FD/fd_ifc.f90\nq-e-qe-7.6/PHonon/FD/run_fd\nq-e-qe-7.6/PHonon/FD/stop_pp.f90\nq-e-qe-7.6/PHonon/Ford.md\nq-e-qe-7.6/PHonon/Ford/\nq-e-qe-7.6/PHonon/Ford/index.md\nq-e-qe-7.6/PHonon/Gamma/\nq-e-qe-7.6/PHonon/Gamma/Makefile\nq-e-qe-7.6/PHonon/Gamma/a_h.f90\nq-e-qe-7.6/PHonon/Gamma/cg_readin.f90\nq-e-qe-7.6/PHonon/Gamma/cg_setup.f90\nq-e-qe-7.6/PHonon/Gamma/cgcom.f90\nq-e-qe-7.6/PHonon/Gamma/cgsolve.f90\nq-e-qe-7.6/PHonon/Gamma/d2ion.f90\nq-e-qe-7.6/PHonon/Gamma/dgradcorr.f90\nq-e-qe-7.6/PHonon/Gamma/dielec.f90\nq-e-qe-7.6/PHonon/Gamma/drhodv.f90\nq-e-qe-7.6/PHonon/Gamma/dvb_cc.f90\nq-e-qe-7.6/PHonon/Gamma/dvpsi_e.f90\nq-e-qe-7.6/PHonon/Gamma/dvpsi_kb.f90\nq-e-qe-7.6/PHonon/Gamma/dyndiar.f90\nq-e-qe-7.6/PHonon/Gamma/dynmat_init.f90\nq-e-qe-7.6/PHonon/Gamma/dynmatcc.f90\nq-e-qe-7.6/PHonon/Gamma/find_equiv_sites.f90\nq-e-qe-7.6/PHonon/Gamma/generate_dynamical_matrix.f90\nq-e-qe-7.6/PHonon/Gamma/generate_effective_charges.f90\nq-e-qe-7.6/PHonon/Gamma/h_h.f90\nq-e-qe-7.6/PHonon/Gamma/macro.f90\nq-e-qe-7.6/PHonon/Gamma/phcg.f90\nq-e-qe-7.6/PHonon/Gamma/rhod2vkb.f90\nq-e-qe-7.6/PHonon/Gamma/solve_e.f90\nq-e-qe-7.6/PHonon/Gamma/solve_ph.f90\nq-e-qe-7.6/PHonon/Gamma/writedyn.f90\nq-e-qe-7.6/PHonon/Makefile\nq-e-qe-7.6/PHonon/PH/\nq-e-qe-7.6/PHonon/PH/Makefile\nq-e-qe-7.6/PHonon/PH/acfdtest.f90\nq-e-qe-7.6/PHonon/PH/add_dkmds.f90\nq-e-qe-7.6/PHonon/PH/add_for_charges.f90\nq-e-qe-7.6/PHonon/PH/add_zstar_ue.f90\nq-e-qe-7.6/PHonon/PH/add_zstar_ue_us.f90\nq-e-qe-7.6/PHonon/PH/addcore.f90\nq-e-qe-7.6/PHonon/PH/addnlcc_zstar_eu_us.f90\nq-e-qe-7.6/PHonon/PH/addusddens_pulay.f90\nq-e-qe-7.6/PHonon/PH/addusdynmat.f90\nq-e-qe-7.6/PHonon/PH/ahc.f90\nq-e-qe-7.6/PHonon/PH/allocate_part.f90\nq-e-qe-7.6/PHonon/PH/allocate_pert.f90\nq-e-qe-7.6/PHonon/PH/allocate_phq.f90\nq-e-qe-7.6/PHonon/PH/alpha2f.f90\nq-e-qe-7.6/PHonon/PH/bcast_ph_input.f90\nq-e-qe-7.6/PHonon/PH/cch_psi_all.f90\nq-e-qe-7.6/PHonon/PH/check_if_partial_dyn.f90\nq-e-qe-7.6/PHonon/PH/check_initial_status.f90\nq-e-qe-7.6/PHonon/PH/check_restart_recover.f90\nq-e-qe-7.6/PHonon/PH/chi_test.f90\nq-e-qe-7.6/PHonon/PH/clean_pw_ph.f90\nq-e-qe-7.6/PHonon/PH/clinear.f90\nq-e-qe-7.6/PHonon/PH/close_phq.f90\nq-e-qe-7.6/PHonon/PH/compute_alphasum.f90\nq-e-qe-7.6/PHonon/PH/compute_becalp.f90\nq-e-qe-7.6/PHonon/PH/compute_becsum_ph.f90\nq-e-qe-7.6/PHonon/PH/compute_drhous.f90\nq-e-qe-7.6/PHonon/PH/compute_drhous_nc.f90\nq-e-qe-7.6/PHonon/PH/compute_dvloc.f90\nq-e-qe-7.6/PHonon/PH/compute_nldyn.f90\nq-e-qe-7.6/PHonon/PH/compute_weight.f90\nq-e-qe-7.6/PHonon/PH/d2ionq.f90\nq-e-qe-7.6/PHonon/PH/d2ionq_disp.f90\nq-e-qe-7.6/PHonon/PH/d2mxc.f90\nq-e-qe-7.6/PHonon/PH/d2nsq_bare.f90\nq-e-qe-7.6/PHonon/PH/davcio_drho.f90\nq-e-qe-7.6/PHonon/PH/deallocate_part.f90\nq-e-qe-7.6/PHonon/PH/deallocate_phq.f90\nq-e-qe-7.6/PHonon/PH/delta_sphi.f90\nq-e-qe-7.6/PHonon/PH/dfile_autoname.f90\nq-e-qe-7.6/PHonon/PH/dfile_star.f90\nq-e-qe-7.6/PHonon/PH/dhdrhopsi.f90\nq-e-qe-7.6/PHonon/PH/dielec.f90\nq-e-qe-7.6/PHonon/PH/dielec_test.f90\nq-e-qe-7.6/PHonon/PH/dnsq_bare.f90\nq-e-qe-7.6/PHonon/PH/dnsq_orth.f90\nq-e-qe-7.6/PHonon/PH/dnsq_orth_set_irr.f90\nq-e-qe-7.6/PHonon/PH/dnsq_store.f90\nq-e-qe-7.6/PHonon/PH/do_phonon.f90\nq-e-qe-7.6/PHonon/PH/do_q2r.f90\nq-e-qe-7.6/PHonon/PH/dpsi_orth.f90\nq-e-qe-7.6/PHonon/PH/drho.f90\nq-e-qe-7.6/PHonon/PH/drhodv.f90\nq-e-qe-7.6/PHonon/PH/drhodvloc.f90\nq-e-qe-7.6/PHonon/PH/drhodvnl.f90\nq-e-qe-7.6/PHonon/PH/drhodvus.f90\nq-e-qe-7.6/PHonon/PH/dump_drho.f90\nq-e-qe-7.6/PHonon/PH/dvanqq.f90\nq-e-qe-7.6/PHonon/PH/dvkb3.f90\nq-e-qe-7.6/PHonon/PH/dvpsi_e.f90\nq-e-qe-7.6/PHonon/PH/dvpsi_e2.f90\nq-e-qe-7.6/PHonon/PH/dvqhub_barepsi_us.f90\nq-e-qe-7.6/PHonon/PH/dvqhub_barepsi_us2.f90\nq-e-qe-7.6/PHonon/PH/dvqpsi_us.f90\nq-e-qe-7.6/PHonon/PH/dvqpsi_us_only.f90\nq-e-qe-7.6/PHonon/PH/dvscf_interpolate.f90\nq-e-qe-7.6/PHonon/PH/dvscf_q2r.f90\nq-e-qe-7.6/PHonon/PH/dwfc.f90\nq-e-qe-7.6/PHonon/PH/dyndia.f90\nq-e-qe-7.6/PHonon/PH/dynmat.f90\nq-e-qe-7.6/PHonon/PH/dynmat0.f90\nq-e-qe-7.6/PHonon/PH/dynmat_hub_bare.f90\nq-e-qe-7.6/PHonon/PH/dynmat_hub_scf.f90\nq-e-qe-7.6/PHonon/PH/dynmat_nlcc.f90\nq-e-qe-7.6/PHonon/PH/dynmat_us.f90\nq-e-qe-7.6/PHonon/PH/dynmatcc.f90\nq-e-qe-7.6/PHonon/PH/dynmatrix.f90\nq-e-qe-7.6/PHonon/PH/el_opt.f90\nq-e-qe-7.6/PHonon/PH/el_ph_collect.f90\nq-e-qe-7.6/PHonon/PH/elph.f90\nq-e-qe-7.6/PHonon/PH/elph_scdft_mod.f90\nq-e-qe-7.6/PHonon/PH/elph_tetra_mod.f90\nq-e-qe-7.6/PHonon/PH/elphon.f90\nq-e-qe-7.6/PHonon/PH/ep_matrix_element_wannier.f90\nq-e-qe-7.6/PHonon/PH/epa.f90\nq-e-qe-7.6/PHonon/PH/find_equiv_sites.f90\nq-e-qe-7.6/PHonon/PH/find_irrep.f90\nq-e-qe-7.6/PHonon/PH/find_mode_sym.f90\nq-e-qe-7.6/PHonon/PH/fqha.f90\nq-e-qe-7.6/PHonon/PH/generate_dynamical_matrix_c.f90\nq-e-qe-7.6/PHonon/PH/generate_effective_charges_c.f90\nq-e-qe-7.6/PHonon/PH/gmressolve_all.f90\nq-e-qe-7.6/PHonon/PH/hdiag.f90\nq-e-qe-7.6/PHonon/PH/incdrhous.f90\nq-e-qe-7.6/PHonon/PH/incdrhous_nc.f90\nq-e-qe-7.6/PHonon/PH/init_representations.f90\nq-e-qe-7.6/PHonon/PH/initialize_ph.f90\nq-e-qe-7.6/PHonon/PH/io_dyn_mat.f90\nq-e-qe-7.6/PHonon/PH/io_dyn_mat_old.f90\nq-e-qe-7.6/PHonon/PH/io_pattern.f90\nq-e-qe-7.6/PHonon/PH/lambda.f90\nq-e-qe-7.6/PHonon/PH/matdyn.f90\nq-e-qe-7.6/PHonon/PH/obsolete.f90\nq-e-qe-7.6/PHonon/PH/openfilq.f90\nq-e-qe-7.6/PHonon/PH/pcgreen.f90\nq-e-qe-7.6/PHonon/PH/ph_restart.f90\nq-e-qe-7.6/PHonon/PH/ph_set_upert.f90\nq-e-qe-7.6/PHonon/PH/phcom.f90\nq-e-qe-7.6/PHonon/PH/phescf.f90\nq-e-qe-7.6/PHonon/PH/phonon.f90\nq-e-qe-7.6/PHonon/PH/phq_init.f90\nq-e-qe-7.6/PHonon/PH/phq_readin.f90\nq-e-qe-7.6/PHonon/PH/phq_recover.f90\nq-e-qe-7.6/PHonon/PH/phq_setup.f90\nq-e-qe-7.6/PHonon/PH/phq_summary.f90\nq-e-qe-7.6/PHonon/PH/phqscf.f90\nq-e-qe-7.6/PHonon/PH/polariz.f90\nq-e-qe-7.6/PHonon/PH/postahc.f90\nq-e-qe-7.6/PHonon/PH/prepare_q.f90\nq-e-qe-7.6/PHonon/PH/prepare_sym_analysis.f90\nq-e-qe-7.6/PHonon/PH/print_clock_ph.f90\nq-e-qe-7.6/PHonon/PH/psidspsi.f90\nq-e-qe-7.6/PHonon/PH/psyme2.f90\nq-e-qe-7.6/PHonon/PH/punch_plot_e.f90\nq-e-qe-7.6/PHonon/PH/q2qstar.f90\nq-e-qe-7.6/PHonon/PH/q2qstar_ph.f90\nq-e-qe-7.6/PHonon/PH/q2r.f90\nq-e-qe-7.6/PHonon/PH/q_points.f90\nq-e-qe-7.6/PHonon/PH/q_points_wannier.f90\nq-e-qe-7.6/PHonon/PH/raman.f90\nq-e-qe-7.6/PHonon/PH/raman_mat.f90\nq-e-qe-7.6/PHonon/PH/ramanm.f90\nq-e-qe-7.6/PHonon/PH/random_matrix.f90\nq-e-qe-7.6/PHonon/PH/read_wfc_rspace_and_fwfft.f90\nq-e-qe-7.6/PHonon/PH/rigid.f90\nq-e-qe-7.6/PHonon/PH/rotate_and_add_dyn.f90\nq-e-qe-7.6/PHonon/PH/rotate_dvscf_star.f90\nq-e-qe-7.6/PHonon/PH/rotate_pattern_add.f90\nq-e-qe-7.6/PHonon/PH/run_nscf.f90\nq-e-qe-7.6/PHonon/PH/save_ph_input.f90\nq-e-qe-7.6/PHonon/PH/set_asr_c.f90\nq-e-qe-7.6/PHonon/PH/set_drhoc.f90\nq-e-qe-7.6/PHonon/PH/set_dvscf.f90\nq-e-qe-7.6/PHonon/PH/set_int12_nc.f90\nq-e-qe-7.6/PHonon/PH/set_irr.f90\nq-e-qe-7.6/PHonon/PH/set_irr_nosym.f90\nq-e-qe-7.6/PHonon/PH/set_irr_sym.f90\nq-e-qe-7.6/PHonon/PH/setlocq.f90\nq-e-qe-7.6/PHonon/PH/solve_e.f90\nq-e-qe-7.6/PHonon/PH/solve_e2.f90\nq-e-qe-7.6/PHonon/PH/solve_e_fpol.f90\nq-e-qe-7.6/PHonon/PH/solve_e_nscf.f90\nq-e-qe-7.6/PHonon/PH/solve_linter.f90\nq-e-qe-7.6/PHonon/PH/stop_ph.f90\nq-e-qe-7.6/PHonon/PH/summarize.f90\nq-e-qe-7.6/PHonon/PH/swfc.f90\nq-e-qe-7.6/PHonon/PH/sym_and_write_zue.f90\nq-e-qe-7.6/PHonon/PH/sym_dns_wrapper.f90\nq-e-qe-7.6/PHonon/PH/symdyn_munu.f90\nq-e-qe-7.6/PHonon/PH/symdynph_gq.f90\nq-e-qe-7.6/PHonon/PH/syme2.f90\nq-e-qe-7.6/PHonon/PH/symm.f90\nq-e-qe-7.6/PHonon/PH/symmorphic_or_nzb.f90\nq-e-qe-7.6/PHonon/PH/tra_write_matrix.f90\nq-e-qe-7.6/PHonon/PH/transform_alphasum_nc.f90\nq-e-qe-7.6/PHonon/PH/transform_alphasum_so.f90\nq-e-qe-7.6/PHonon/PH/transform_int_nc.f90\nq-e-qe-7.6/PHonon/PH/transform_int_so.f90\nq-e-qe-7.6/PHonon/PH/trntnsc.f90\nq-e-qe-7.6/PHonon/PH/write_eigenvectors.f90\nq-e-qe-7.6/PHonon/PH/write_epsilon_and_zeu.f90\nq-e-qe-7.6/PHonon/PH/write_hub.f90\nq-e-qe-7.6/PHonon/PH/write_matrix.f90\nq-e-qe-7.6/PHonon/PH/write_modes.f90\nq-e-qe-7.6/PHonon/PH/write_qplot_data.f90\nq-e-qe-7.6/PHonon/PH/write_ramtns.f90\nq-e-qe-7.6/PHonon/PH/write_rec.f90\nq-e-qe-7.6/PHonon/PH/yambo.f90\nq-e-qe-7.6/PHonon/PH/zstar_eu.f90\nq-e-qe-7.6/PHonon/PH/zstar_eu_us.f90\nq-e-qe-7.6/PHonon/examples/\nq-e-qe-7.6/PHonon/examples/GRID_example/\nq-e-qe-7.6/PHonon/examples/GRID_example/README\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.ph.out0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.7\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.8\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.7\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.8\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.444.fc.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn1.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn2.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn3.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn4.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn5.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn6.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn7.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn8.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.freq\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.freq.rap\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.ph.in0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.ph.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.ph.out0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.1.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.1.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.1.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.2.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.2.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.3.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.3.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.4.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.4.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.5.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.5.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.freq\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.freq.rap\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.modes\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/phdos.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example_1\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example_2\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example_3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/README\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.444.fc\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dispersions.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn0\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn7\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn8\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.collect.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.prep.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.phdos.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/freq.plot\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/phdos.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dispersions.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn0\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn7\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn8\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.ph.collect.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.ph.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.ph.rec.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.phdos.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas444.fc\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/freq.plot\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.modes\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/out.1_0\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/phdos.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/run_example\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/run_example_2\nq-e-qe-7.6/PHonon/examples/Image_example/\nq-e-qe-7.6/PHonon/examples/Image_example/README\nq-e-qe-7.6/PHonon/examples/Image_example/reference/\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.ph.out1\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/out.1_0\nq-e-qe-7.6/PHonon/examples/Image_example/reference/phdos.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn0\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn1\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn2\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn3\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn4\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn5\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn6\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn7\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn8\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn0\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn1\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn10\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn11\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn12\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn13\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn14\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn15\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn16\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn17\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.freq\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.collect.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.disp.collect.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.disp.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.scf.out\nq-e-qe-7.6/PHonon/examples/Image_example/run_example\nq-e-qe-7.6/PHonon/examples/Image_example/run_example_1\nq-e-qe-7.6/PHonon/examples/Partial_example/\nq-e-qe-7.6/PHonon/examples/Partial_example/README\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phA1.out\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phE.out1\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phE.out2\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phG.out\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/Partial_example/run_example\nq-e-qe-7.6/PHonon/examples/README\nq-e-qe-7.6/PHonon/examples/Recover_example/\nq-e-qe-7.6/PHonon/examples/Recover_example/README\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Au.phX_rel.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Au.phX_rel.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Au.scf_rel.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phG_pbe.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phG_pbe.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phX_pbe_one_mode.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phX_pbe_one_mode.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.scf_pbe.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/ni.phX.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/ni.phX.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/si.phG.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/si.phG.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/si.scf.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/Al444.fc\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/Al444.freq\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/Al444.freq.gp\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos10\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos9\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn0\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.elph.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.elph.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.scf.fit.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.scf.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/dyna2F\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.61\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.62\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.63\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.64\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.65\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.66\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.67\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.68\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.69\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.70\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/lambda\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/matdyn.in.dos\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/matdyn.modes\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/matdyn.out.dos\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/phonon.dos\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/q2r.out\nq-e-qe-7.6/PHonon/examples/Recover_example/run_example\nq-e-qe-7.6/PHonon/examples/Recover_example/run_example_1\nq-e-qe-7.6/PHonon/examples/clean_all\nq-e-qe-7.6/PHonon/examples/example01/\nq-e-qe-7.6/PHonon/examples/example01/README\nq-e-qe-7.6/PHonon/examples/example01/reference/\nq-e-qe-7.6/PHonon/examples/example01/reference/c.phG.out\nq-e-qe-7.6/PHonon/examples/example01/reference/c.scf.out\nq-e-qe-7.6/PHonon/examples/example01/reference/ni.phX.out\nq-e-qe-7.6/PHonon/examples/example01/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.phG.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.phX.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.phXsingle.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.scf.out\nq-e-qe-7.6/PHonon/examples/example01/run_example\nq-e-qe-7.6/PHonon/examples/example014/\nq-e-qe-7.6/PHonon/examples/example014/run_example_ep_simple\nq-e-qe-7.6/PHonon/examples/example02/\nq-e-qe-7.6/PHonon/examples/example02/README\nq-e-qe-7.6/PHonon/examples/example02/reference/\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.freq\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/example02/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/example02/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example02/run_example\nq-e-qe-7.6/PHonon/examples/example03/\nq-e-qe-7.6/PHonon/examples/example03/README\nq-e-qe-7.6/PHonon/examples/example03/reference/\nq-e-qe-7.6/PHonon/examples/example03/reference/al.elph.out\nq-e-qe-7.6/PHonon/examples/example03/reference/al.scf.fit.out\nq-e-qe-7.6/PHonon/examples/example03/reference/al.scf.out\nq-e-qe-7.6/PHonon/examples/example03/reference/lambda\nq-e-qe-7.6/PHonon/examples/example03/run_example\nq-e-qe-7.6/PHonon/examples/example04/\nq-e-qe-7.6/PHonon/examples/example04/README\nq-e-qe-7.6/PHonon/examples/example04/reference/\nq-e-qe-7.6/PHonon/examples/example04/reference/ch4.dyn.out\nq-e-qe-7.6/PHonon/examples/example04/reference/ch4.nm.out\nq-e-qe-7.6/PHonon/examples/example04/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/example04/run_example\nq-e-qe-7.6/PHonon/examples/example05/\nq-e-qe-7.6/PHonon/examples/example05/README\nq-e-qe-7.6/PHonon/examples/example05/reference/\nq-e-qe-7.6/PHonon/examples/example05/reference/alas.dynG\nq-e-qe-7.6/PHonon/examples/example05/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/example05/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/example05/run_example\nq-e-qe-7.6/PHonon/examples/example06/\nq-e-qe-7.6/PHonon/examples/example06/README\nq-e-qe-7.6/PHonon/examples/example06/reference/\nq-e-qe-7.6/PHonon/examples/example06/reference/pt.ph.out\nq-e-qe-7.6/PHonon/examples/example06/reference/pt.phX.out\nq-e-qe-7.6/PHonon/examples/example06/reference/pt.scf_ph.out\nq-e-qe-7.6/PHonon/examples/example06/run_example\nq-e-qe-7.6/PHonon/examples/example07/\nq-e-qe-7.6/PHonon/examples/example07/README\nq-e-qe-7.6/PHonon/examples/example07/reference/\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.phG.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.phX.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.phX2.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.phG.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.phX.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.phX2.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.scf.out\nq-e-qe-7.6/PHonon/examples/example07/reference/pt.phG.out\nq-e-qe-7.6/PHonon/examples/example07/reference/pt.phX.out\nq-e-qe-7.6/PHonon/examples/example07/reference/pt.scf.out\nq-e-qe-7.6/PHonon/examples/example07/run_example\nq-e-qe-7.6/PHonon/examples/example08/\nq-e-qe-7.6/PHonon/examples/example08/README\nq-e-qe-7.6/PHonon/examples/example08/reference/\nq-e-qe-7.6/PHonon/examples/example08/reference/Cu.phG_pbe.out\nq-e-qe-7.6/PHonon/examples/example08/reference/Cu.scf_pbe.out\nq-e-qe-7.6/PHonon/examples/example08/reference/c.phG.out\nq-e-qe-7.6/PHonon/examples/example08/reference/c.phX.out\nq-e-qe-7.6/PHonon/examples/example08/reference/c.scf.out\nq-e-qe-7.6/PHonon/examples/example08/reference/ch4.nm.out\nq-e-qe-7.6/PHonon/examples/example08/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/example08/run_example\nq-e-qe-7.6/PHonon/examples/example09/\nq-e-qe-7.6/PHonon/examples/example09/README\nq-e-qe-7.6/PHonon/examples/example09/reference/\nq-e-qe-7.6/PHonon/examples/example09/reference/ch4.fpol.out\nq-e-qe-7.6/PHonon/examples/example09/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/example09/run_example\nq-e-qe-7.6/PHonon/examples/example10/\nq-e-qe-7.6/PHonon/examples/example10/README\nq-e-qe-7.6/PHonon/examples/example10/reference/\nq-e-qe-7.6/PHonon/examples/example10/reference/c.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/c.scf.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2.scf.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2_nc.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2_nc.scf.out\nq-e-qe-7.6/PHonon/examples/example10/reference/si.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/si.scf.out\nq-e-qe-7.6/PHonon/examples/example10/run_example\nq-e-qe-7.6/PHonon/examples/example11/\nq-e-qe-7.6/PHonon/examples/example11/README\nq-e-qe-7.6/PHonon/examples/example11/reference/\nq-e-qe-7.6/PHonon/examples/example11/reference/Au.phG_pz.out\nq-e-qe-7.6/PHonon/examples/example11/reference/Au.phX_pz.out\nq-e-qe-7.6/PHonon/examples/example11/reference/Au.scf_pz.out\nq-e-qe-7.6/PHonon/examples/example11/run_example\nq-e-qe-7.6/PHonon/examples/example12/\nq-e-qe-7.6/PHonon/examples/example12/README\nq-e-qe-7.6/PHonon/examples/example12/reference/\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4-gga.dyn.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4-gga.nm.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4-gga.scf.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4.dyn.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4.nm.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4.scf.out\nq-e-qe-7.6/PHonon/examples/example12/run_example\nq-e-qe-7.6/PHonon/examples/example13/\nq-e-qe-7.6/PHonon/examples/example13/reference/\nq-e-qe-7.6/PHonon/examples/example13/reference/ni.ph.out\nq-e-qe-7.6/PHonon/examples/example13/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/example13/run_example\nq-e-qe-7.6/PHonon/examples/example14/\nq-e-qe-7.6/PHonon/examples/example14/README\nq-e-qe-7.6/PHonon/examples/example14/reference/\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn0\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn1\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn2\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn3\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn4\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn5\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn6\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn7\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn8\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn.freq\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn0\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn1\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn10\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn11\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn12\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn13\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn14\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn15\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn16\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn17\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn2\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn3\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn4\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn5\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn6\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn7\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn8\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn9\nq-e-qe-7.6/PHonon/examples/example14/reference/al.freq\nq-e-qe-7.6/PHonon/examples/example14/reference/al.freq.gp\nq-e-qe-7.6/PHonon/examples/example14/reference/al.ph.disp.out\nq-e-qe-7.6/PHonon/examples/example14/reference/al.ph.out\nq-e-qe-7.6/PHonon/examples/example14/reference/al.scf.out\nq-e-qe-7.6/PHonon/examples/example14/reference/freq.disp.plot\nq-e-qe-7.6/PHonon/examples/example14/reference/freq.plot\nq-e-qe-7.6/PHonon/examples/example14/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/example14/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/example14/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example14/run_example\nq-e-qe-7.6/PHonon/examples/example15/\nq-e-qe-7.6/PHonon/examples/example15/README\nq-e-qe-7.6/PHonon/examples/example15/reference/\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.dm.in\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.dm.out\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.ph.in\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.ph.out\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.scf.in\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.scf.out\nq-e-qe-7.6/PHonon/examples/example15/reference/dmat.co2\nq-e-qe-7.6/PHonon/examples/example15/reference/dmat.zno\nq-e-qe-7.6/PHonon/examples/example15/reference/dynmat.axsf\nq-e-qe-7.6/PHonon/examples/example15/reference/dynmat.mold\nq-e-qe-7.6/PHonon/examples/example15/reference/dynmat.out\nq-e-qe-7.6/PHonon/examples/example15/reference/plot_command_co2.cmd\nq-e-qe-7.6/PHonon/examples/example15/reference/plot_command_zno.cmd\nq-e-qe-7.6/PHonon/examples/example15/reference/plotdata_co2.dat\nq-e-qe-7.6/PHonon/examples/example15/reference/plotdata_zno.dat\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.dm.in\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.dm.out\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.ph.in\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.ph.out\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.scf.in\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.scf.out\nq-e-qe-7.6/PHonon/examples/example15/run_example\nq-e-qe-7.6/PHonon/examples/example16/\nq-e-qe-7.6/PHonon/examples/example16/README\nq-e-qe-7.6/PHonon/examples/example16/reference/\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.rvv10.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.rvv10.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.rvv10.scf.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.scf.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df.scf.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df2.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df2.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df2.scf.out\nq-e-qe-7.6/PHonon/examples/example16/run_example\nq-e-qe-7.6/PHonon/examples/example17/\nq-e-qe-7.6/PHonon/examples/example17/README\nq-e-qe-7.6/PHonon/examples/example17/reference/\nq-e-qe-7.6/PHonon/examples/example17/reference/al.dispersions.ps\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn0\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn1\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn10\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn2\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn3\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn4\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn5\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn6\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn7\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn8\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn9\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.freq\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.freq.gp\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.ph.disp.in\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.ph.disp.out\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.scf.in\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.scf.out\nq-e-qe-7.6/PHonon/examples/example17/reference/bn881.fc\nq-e-qe-7.6/PHonon/examples/example17/reference/freq.disp.plot\nq-e-qe-7.6/PHonon/examples/example17/reference/freq.disp.ps\nq-e-qe-7.6/PHonon/examples/example17/reference/matdyn.in\nq-e-qe-7.6/PHonon/examples/example17/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/example17/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/example17/reference/plotband.in\nq-e-qe-7.6/PHonon/examples/example17/reference/q2r.in\nq-e-qe-7.6/PHonon/examples/example17/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example17/run_example\nq-e-qe-7.6/PHonon/examples/example18/\nq-e-qe-7.6/PHonon/examples/example18/README\nq-e-qe-7.6/PHonon/examples/example18/reference/\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.dynG\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.dynq\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.phG.in\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.phq.in\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.scf.in\nq-e-qe-7.6/PHonon/examples/example18/run_example\nq-e-qe-7.6/PHonon/examples/example19/\nq-e-qe-7.6/PHonon/examples/example19/README\nq-e-qe-7.6/PHonon/examples/example19/reference/\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.coarse.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.coarse.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.fine.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.fine.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn0\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn1\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn2\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn3\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn4\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ifc\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.modes_coarse\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.modes_fine\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.nscf.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.nscf.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ph.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ph.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.scf.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.scf.out\nq-e-qe-7.6/PHonon/examples/example19/reference/dvscfq2r.in\nq-e-qe-7.6/PHonon/examples/example19/reference/dvscfq2r.out\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.coarse.in\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.coarse.out\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.fine.in\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.fine.out\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.coarse.in\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.coarse.out\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.fine.in\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.fine.out\nq-e-qe-7.6/PHonon/examples/example19/reference/q2r.in\nq-e-qe-7.6/PHonon/examples/example19/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_coarse_imag.dat\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_coarse_real.dat\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_fine_imag.dat\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_fine_real.dat\nq-e-qe-7.6/PHonon/examples/example19/run_example\nq-e-qe-7.6/PHonon/examples/run_all_examples\nq-e-qe-7.6/PHonon/examples/tetra_example/\nq-e-qe-7.6/PHonon/examples/tetra_example/README\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.a2F.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn0\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn1\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn1.elph.1\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn10\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn10.elph.10\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn2\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn2.elph.2\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn3\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn3.elph.3\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn4\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn4.elph.4\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn5\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn5.elph.5\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn6\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn6.elph.6\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn7\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn7.elph.7\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn8\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn8.elph.8\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn9\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn9.elph.9\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.elph.in\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.elph.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.ph.in\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.ph.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.scf.in\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.scf.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/aluminum.McMillan.gp\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/aluminum.a2F.dat\nq-e-qe-7.6/PHonon/examples/tetra_example/run_example\nq-e-qe-7.6/PIOUD/\nq-e-qe-7.6/PIOUD/CMakeLists.txt\nq-e-qe-7.6/PIOUD/Makefile\nq-e-qe-7.6/PIOUD/examples/\nq-e-qe-7.6/PIOUD/examples/clean_all\nq-e-qe-7.6/PIOUD/examples/test_example_diamond/\nq-e-qe-7.6/PIOUD/examples/test_example_diamond/run_example\nq-e-qe-7.6/PIOUD/examples/test_example_diamond/script_sub\nq-e-qe-7.6/PIOUD/src/\nq-e-qe-7.6/PIOUD/src/Makefile\nq-e-qe-7.6/PIOUD/src/compute_scf_pioud.f90\nq-e-qe-7.6/PIOUD/src/engine_to_trpmd_nat_alat.f90\nq-e-qe-7.6/PIOUD/src/engine_to_trpmd_pos.f90\nq-e-qe-7.6/PIOUD/src/fcp_opt_routines.f90\nq-e-qe-7.6/PIOUD/src/fcp_variables.f90\nq-e-qe-7.6/PIOUD/src/make.depend\nq-e-qe-7.6/PIOUD/src/makedeps.sh\nq-e-qe-7.6/PIOUD/src/pimd_subrout.f90\nq-e-qe-7.6/PIOUD/src/pimd_utils.f90\nq-e-qe-7.6/PIOUD/src/pimd_variables.f90\nq-e-qe-7.6/PIOUD/src/pioud.f90\nq-e-qe-7.6/PIOUD/src/pw_gen_inputs.f90\nq-e-qe-7.6/PIOUD/src/ring_formats.f90\nq-e-qe-7.6/PIOUD/src/ring_input_parameters_module.f90\nq-e-qe-7.6/PIOUD/src/ring_io_units_module.f90\nq-e-qe-7.6/PIOUD/src/ring_variables.f90\nq-e-qe-7.6/PIOUD/src/set_defaults.f90\nq-e-qe-7.6/PIOUD/src/stop_run_path.f90\nq-e-qe-7.6/PIOUD/src/trpmd_base.f90\nq-e-qe-7.6/PIOUD/src/trpmd_io_routines.f90\nq-e-qe-7.6/PP/\nq-e-qe-7.6/PP/CMakeLists.txt\nq-e-qe-7.6/PP/Doc/\nq-e-qe-7.6/PP/Doc/INPUT_BANDS.def\nq-e-qe-7.6/PP/Doc/INPUT_BAND_INTERPOLATION.def\nq-e-qe-7.6/PP/Doc/INPUT_D3HESS.def\nq-e-qe-7.6/PP/Doc/INPUT_DOS.def\nq-e-qe-7.6/PP/Doc/INPUT_OSCDFT_ET.def\nq-e-qe-7.6/PP/Doc/INPUT_OSCDFT_PP.def\nq-e-qe-7.6/PP/Doc/INPUT_PP.def\nq-e-qe-7.6/PP/Doc/INPUT_PPACF.def\nq-e-qe-7.6/PP/Doc/INPUT_PPRISM.def\nq-e-qe-7.6/PP/Doc/INPUT_PROJWFC.def\nq-e-qe-7.6/PP/Doc/INPUT_bgw2pw.def\nq-e-qe-7.6/PP/Doc/INPUT_molecularpdos.def\nq-e-qe-7.6/PP/Doc/INPUT_pw2bgw.def\nq-e-qe-7.6/PP/Doc/INPUT_pw2gw.def\nq-e-qe-7.6/PP/Doc/INPUT_pw2wannier90.def\nq-e-qe-7.6/PP/Doc/INPUT_wannier2pw.def\nq-e-qe-7.6/PP/Doc/Makefile\nq-e-qe-7.6/PP/Doc/eps_man.tex\nq-e-qe-7.6/PP/Doc/user_guide.tex\nq-e-qe-7.6/PP/Makefile\nq-e-qe-7.6/PP/examples/\nq-e-qe-7.6/PP/examples/ACF_example/\nq-e-qe-7.6/PP/examples/ACF_example/README\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/atoms.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/atoms.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_fock.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_fock.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_plot.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_plot.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_scale.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_scale.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/atoms.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/atoms.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/atoms_ppacf.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_fock.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_fock.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_plot.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_plot.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_scale.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_scale.out\nq-e-qe-7.6/PP/examples/ACF_example/run_example\nq-e-qe-7.6/PP/examples/BGW_example/\nq-e-qe-7.6/PP/examples/BGW_example/README\nq-e-qe-7.6/PP/examples/BGW_example/references/\nq-e-qe-7.6/PP/examples/BGW_example/references/si.pw2bgw.in\nq-e-qe-7.6/PP/examples/BGW_example/references/si.pw2bgw.out\nq-e-qe-7.6/PP/examples/BGW_example/references/si.scf.in\nq-e-qe-7.6/PP/examples/BGW_example/references/si.scf.out\nq-e-qe-7.6/PP/examples/BGW_example/references/vxc.dat\nq-e-qe-7.6/PP/examples/BGW_example/references/vxc0.dat\nq-e-qe-7.6/PP/examples/BGW_example/run_example\nq-e-qe-7.6/PP/examples/CLS_FS_example/\nq-e-qe-7.6/PP/examples/CLS_FS_example/README\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/final-state.txt\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/rh011bulk.scf.out\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/rh011layer1.scf.out\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/rh011surf.scf.out\nq-e-qe-7.6/PP/examples/CLS_FS_example/run_example\nq-e-qe-7.6/PP/examples/CLS_IS_example/\nq-e-qe-7.6/PP/examples/CLS_IS_example/README\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/initial-state.txt\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/rh011slab.istate.out\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/rh011slab.scf.out\nq-e-qe-7.6/PP/examples/CLS_IS_example/run_example\nq-e-qe-7.6/PP/examples/ForceTheorem_example/\nq-e-qe-7.6/PP/examples/ForceTheorem_example/README\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/eband_par.dat\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/eband_per.dat\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/par.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/per.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/proj_par.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/proj_per.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/sr.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/run_example\nq-e-qe-7.6/PP/examples/MolDos_example/\nq-e-qe-7.6/PP/examples/MolDos_example/README\nq-e-qe-7.6/PP/examples/MolDos_example/reference/\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.bands.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.k.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.scf.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.bands.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.k.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.scf.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2_onto_H2.k.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2_onto_H2.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/gnuplot.tmp\nq-e-qe-7.6/PP/examples/MolDos_example/reference/project_chainH2_onto_H2.ps\nq-e-qe-7.6/PP/examples/MolDos_example/run_example\nq-e-qe-7.6/PP/examples/README\nq-e-qe-7.6/PP/examples/W90_open_grid_example/\nq-e-qe-7.6/PP/examples/W90_open_grid_example/README\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.lib.win\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.openg.sa.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.openg.sa.out\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.lib.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.sa.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.sa.out\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.eig\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.nnkp\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.win\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.wout\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.scf.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.scf.out\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/k_points.txt\nq-e-qe-7.6/PP/examples/W90_open_grid_example/run_example\nq-e-qe-7.6/PP/examples/WAN90_example/\nq-e-qe-7.6/PP/examples/WAN90_example/README\nq-e-qe-7.6/PP/examples/WAN90_example/reference/\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.lib.win\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.lib.wout\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.nscf.out\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.pw2wan.lib.out\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.pw2wan.sa.out\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.eig\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.nnkp\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.win\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.wout\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.scf.out\nq-e-qe-7.6/PP/examples/WAN90_example/run_example\nq-e-qe-7.6/PP/examples/WannierHam_example/\nq-e-qe-7.6/PP/examples/WannierHam_example/README\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/NiO.nscf.out\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/NiO.scf.out\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/hamilt.gz\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/wannier_hamilt.out\nq-e-qe-7.6/PP/examples/WannierHam_example/run_example\nq-e-qe-7.6/PP/examples/WorkFct_example/\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.avg.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.avg.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.pp.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.pp.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.avg.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.avg.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.pot\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.pp.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.pp.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.wf.data\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.wf.eps\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Albulkrefpot\nq-e-qe-7.6/PP/examples/WorkFct_example/run_example\nq-e-qe-7.6/PP/examples/clean_all\nq-e-qe-7.6/PP/examples/dipole_example/\nq-e-qe-7.6/PP/examples/dipole_example/README\nq-e-qe-7.6/PP/examples/dipole_example/reference/\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.avg.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.eps\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.pp.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.pp.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.scf.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.scf.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.vpot-z\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.avg.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.eps\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.pp.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.pp.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.scf.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.scf.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.vpot-z\nq-e-qe-7.6/PP/examples/dipole_example/run_example\nq-e-qe-7.6/PP/examples/example01/\nq-e-qe-7.6/PP/examples/example01/README\nq-e-qe-7.6/PP/examples/example01/reference/\nq-e-qe-7.6/PP/examples/example01/reference/si.band.out\nq-e-qe-7.6/PP/examples/example01/reference/si.bands.out\nq-e-qe-7.6/PP/examples/example01/reference/si.plotband.out\nq-e-qe-7.6/PP/examples/example01/reference/si.plotrho.out\nq-e-qe-7.6/PP/examples/example01/reference/si.pp_rho.out\nq-e-qe-7.6/PP/examples/example01/reference/si.rho.dat\nq-e-qe-7.6/PP/examples/example01/reference/si.rho.ps\nq-e-qe-7.6/PP/examples/example01/reference/si.scf.out\nq-e-qe-7.6/PP/examples/example01/reference/sibands.dat\nq-e-qe-7.6/PP/examples/example01/reference/sibands.dat.rap\nq-e-qe-7.6/PP/examples/example01/reference/sibands.ps\nq-e-qe-7.6/PP/examples/example01/reference/sicharge\nq-e-qe-7.6/PP/examples/example01/run_example\nq-e-qe-7.6/PP/examples/example02/\nq-e-qe-7.6/PP/examples/example02/README\nq-e-qe-7.6/PP/examples/example02/reference/\nq-e-qe-7.6/PP/examples/example02/reference/FS.in\nq-e-qe-7.6/PP/examples/example02/reference/FS.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos2.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos2.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_NSP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_NSP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_SP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_SP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos_atm#1(Ni)_wfc#1(s)\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos_atm#1(Ni)_wfc#2(d)\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos_tot\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf0.NSP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf0.SP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf_NSP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf_SP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni_fs.bxsf\nq-e-qe-7.6/PP/examples/example02/reference/ni_fsdw.bxsf\nq-e-qe-7.6/PP/examples/example02/reference/ni_fsup.bxsf\nq-e-qe-7.6/PP/examples/example02/run_example\nq-e-qe-7.6/PP/examples/example03/\nq-e-qe-7.6/PP/examples/example03/README\nq-e-qe-7.6/PP/examples/example03/reference/\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110+1.0eV.ps\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110-1.0eV.ps\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.box.projwfc.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.box.projwfc.ps\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.ldos_boxes\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.pp_stm+.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.pp_stm-.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110re.nonscf.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110re.scf.out\nq-e-qe-7.6/PP/examples/example03/run_example\nq-e-qe-7.6/PP/examples/example04/\nq-e-qe-7.6/PP/examples/example04/README\nq-e-qe-7.6/PP/examples/example04/reference/\nq-e-qe-7.6/PP/examples/example04/reference/pt.bands.out\nq-e-qe-7.6/PP/examples/example04/reference/pt.nscf.out\nq-e-qe-7.6/PP/examples/example04/reference/pt.pdos.out\nq-e-qe-7.6/PP/examples/example04/reference/pt.scf.out\nq-e-qe-7.6/PP/examples/example04/run_example\nq-e-qe-7.6/PP/examples/example05/\nq-e-qe-7.6/PP/examples/example05/README\nq-e-qe-7.6/PP/examples/example05/reference/\nq-e-qe-7.6/PP/examples/example05/reference/feo_LDA.in\nq-e-qe-7.6/PP/examples/example05/reference/feo_wannier.in\nq-e-qe-7.6/PP/examples/example05/reference/pmw.in\nq-e-qe-7.6/PP/examples/example05/run_example\nq-e-qe-7.6/PP/examples/example06/\nq-e-qe-7.6/PP/examples/example06/README\nq-e-qe-7.6/PP/examples/example06/reference/\nq-e-qe-7.6/PP/examples/example06/reference/Fe.band_pbe.out\nq-e-qe-7.6/PP/examples/example06/reference/Fe.bands.out\nq-e-qe-7.6/PP/examples/example06/reference/Fe.scf_pbe.out\nq-e-qe-7.6/PP/examples/example06/reference/fe.bands.ps\nq-e-qe-7.6/PP/examples/example06/reference/plotband.out\nq-e-qe-7.6/PP/examples/example06/run_example\nq-e-qe-7.6/PP/examples/example07/\nq-e-qe-7.6/PP/examples/example07/README\nq-e-qe-7.6/PP/examples/example07/reference1/\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.nscf.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.pw2wan.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.scf-wan.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.scf.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.wan2pw.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.win\nq-e-qe-7.6/PP/examples/example07/reference2/\nq-e-qe-7.6/PP/examples/example07/reference2/MnO.nscf.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO.scf-wan.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO.scf.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_down.pw2wan.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_down.wan2pw.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_down.win\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_up.pw2wan.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_up.wan2pw.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_up.win\nq-e-qe-7.6/PP/examples/example07/run_example1\nq-e-qe-7.6/PP/examples/example07/run_example2\nq-e-qe-7.6/PP/examples/example08/\nq-e-qe-7.6/PP/examples/example08/README\nq-e-qe-7.6/PP/examples/example08/reference/\nq-e-qe-7.6/PP/examples/example08/reference/TiO2.pp.in\nq-e-qe-7.6/PP/examples/example08/reference/TiO2.scf.in\nq-e-qe-7.6/PP/examples/example08/run_example\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/README\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier-diff.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/log.pbe0.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/out.fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/out.fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/pbe0.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier-diff.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/log.pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/out.fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/out.fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw-sphere.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw-sphere.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/log.pbe.scf.nosym.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/out.idw-sphere.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/out.idw.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/pbe.scf.nosym.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.bands.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.nscf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.pp.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat.gnu\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat.rap\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.nscf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.pp.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/README\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/bands.dat\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.bands.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.bands.out\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.plotband.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.plotband.out\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.scf.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.scf.out\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/sibands-p.dat\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/sibands.dat\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/sibands.dat.gnu\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/run_example\nq-e-qe-7.6/PP/examples/fermisurf_example/\nq-e-qe-7.6/PP/examples/fermisurf_example/README\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/FS_b2pz.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/FS_vf.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/b2pz.frmsf\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#1(Mg)_wfc#1(s)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#1(Mg)_wfc#2(p)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#2(B)_wfc#1(s)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#2(B)_wfc#2(p)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#3(B)_wfc#1(s)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#3(B)_wfc#2(p)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_tot\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.proj.in\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.proj.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.scf.in\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.scf.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/vfermi.frmsf\nq-e-qe-7.6/PP/examples/fermisurf_example/run_example\nq-e-qe-7.6/PP/examples/projected_bands_example/\nq-e-qe-7.6/PP/examples/projected_bands_example/README\nq-e-qe-7.6/PP/examples/projected_bands_example/projwfc_to_bands.awk\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/ni.kpdos_dw.png\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/ni.kpdos_up.png\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/pt.s-bands.png\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/silicene.projbands.png\nq-e-qe-7.6/PP/examples/projected_bands_example/run_example\nq-e-qe-7.6/PP/examples/pw2gw_example/\nq-e-qe-7.6/PP/examples/pw2gw_example/README\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/bn.nscf.out.xz\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/bn.pw2gw.out.xz\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/bn.scf.out\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsTOT.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsX.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsY.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsZ.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/k.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/matrixelements.xz\nq-e-qe-7.6/PP/examples/pw2gw_example/run_example\nq-e-qe-7.6/PP/examples/run_all_examples\nq-e-qe-7.6/PP/simple_transport/\nq-e-qe-7.6/PP/simple_transport/README\nq-e-qe-7.6/PP/simple_transport/examples/\nq-e-qe-7.6/PP/simple_transport/examples/eg_ef/\nq-e-qe-7.6/PP/simple_transport/examples/eg_ef/out.32\nq-e-qe-7.6/PP/simple_transport/examples/eg_ef/run_ef\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/README\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/Def_0.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/Se_0.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/sig_0.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/run_0\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/README\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/dop_vs_ef\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+18.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+19.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+20.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+21.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+18.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+19.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+20.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+21.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+18\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+19\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+20\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+21\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+18.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+19.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+20.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+21.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/run_1\nq-e-qe-7.6/PP/simple_transport/examples/scf/\nq-e-qe-7.6/PP/simple_transport/examples/scf/As.pbe-n-kjpaw_psl.0.2.upf\nq-e-qe-7.6/PP/simple_transport/examples/scf/Ga.pbe-dn-kjpaw_psl.0.2.upf\nq-e-qe-7.6/PP/simple_transport/examples/scf/info-q\nq-e-qe-7.6/PP/simple_transport/examples/scf/reference/\nq-e-qe-7.6/PP/simple_transport/examples/scf/reference/GaAs.32.a2Fsave\nq-e-qe-7.6/PP/simple_transport/examples/scf/reference/GaAs.scf.out\nq-e-qe-7.6/PP/simple_transport/examples/scf/run_GaAs_scf\nq-e-qe-7.6/PP/simple_transport/src/\nq-e-qe-7.6/PP/simple_transport/src/Makefile\nq-e-qe-7.6/PP/simple_transport/src/cryst_to_car.f90\nq-e-qe-7.6/PP/simple_transport/src/dos.f90\nq-e-qe-7.6/PP/simple_transport/src/ef.f90\nq-e-qe-7.6/PP/simple_transport/src/fermi_int_0.f90\nq-e-qe-7.6/PP/simple_transport/src/fermi_int_1.f90\nq-e-qe-7.6/PP/simple_transport/src/lint.f90\nq-e-qe-7.6/PP/simple_transport/src/reducegrid.f90\nq-e-qe-7.6/PP/simple_transport/src/smearing_mod.f90\nq-e-qe-7.6/PP/simple_transport/src/vband_ibz.f90\nq-e-qe-7.6/PP/src/\nq-e-qe-7.6/PP/src/Makefile\nq-e-qe-7.6/PP/src/add_shift_cc.f90\nq-e-qe-7.6/PP/src/add_shift_lc.f90\nq-e-qe-7.6/PP/src/add_shift_us.f90\nq-e-qe-7.6/PP/src/adduscore.f90\nq-e-qe-7.6/PP/src/addusdens1d.f90\nq-e-qe-7.6/PP/src/average.f90\nq-e-qe-7.6/PP/src/band_interpolation.f90\nq-e-qe-7.6/PP/src/bands.f90\nq-e-qe-7.6/PP/src/bgw2pw.f90.orig\nq-e-qe-7.6/PP/src/chdens_bspline.f90\nq-e-qe-7.6/PP/src/chdens_bspline_sphere.f90\nq-e-qe-7.6/PP/src/chdens_module.f90\nq-e-qe-7.6/PP/src/compute_ppsi.f90\nq-e-qe-7.6/PP/src/compute_sigma_avg.f90\nq-e-qe-7.6/PP/src/cube.f90\nq-e-qe-7.6/PP/src/d3hess.f90\nq-e-qe-7.6/PP/src/d_matrix_nc.f90\nq-e-qe-7.6/PP/src/d_matrix_so.f90\nq-e-qe-7.6/PP/src/do_initial_state.f90\nq-e-qe-7.6/PP/src/do_shift_ew.f90\nq-e-qe-7.6/PP/src/dos.f90\nq-e-qe-7.6/PP/src/dosg.f90\nq-e-qe-7.6/PP/src/elf.f90\nq-e-qe-7.6/PP/src/epsilon.f90\nq-e-qe-7.6/PP/src/fermi_proj.f90\nq-e-qe-7.6/PP/src/fermi_velocity.f90\nq-e-qe-7.6/PP/src/fermisurface.f90\nq-e-qe-7.6/PP/src/fermisurfer_common.f90\nq-e-qe-7.6/PP/src/fft_interpolation_mod.f90\nq-e-qe-7.6/PP/src/fouriermod.f90\nq-e-qe-7.6/PP/src/ggen1d.f90\nq-e-qe-7.6/PP/src/globalmod.f90\nq-e-qe-7.6/PP/src/hubbard_projectors.f90\nq-e-qe-7.6/PP/src/idwmod.f90\nq-e-qe-7.6/PP/src/initial_state.f90\nq-e-qe-7.6/PP/src/lebedev.f90\nq-e-qe-7.6/PP/src/local_dos.f90\nq-e-qe-7.6/PP/src/local_dos1d.f90\nq-e-qe-7.6/PP/src/local_dos_mag.f90\nq-e-qe-7.6/PP/src/molecularpdos.f90\nq-e-qe-7.6/PP/src/open_grid.f90\nq-e-qe-7.6/PP/src/openfil_pp.f90\nq-e-qe-7.6/PP/src/oscdft_et.f90\nq-e-qe-7.6/PP/src/oscdft_et_mod.f90\nq-e-qe-7.6/PP/src/oscdft_pp.f90\nq-e-qe-7.6/PP/src/oscdft_pp_mod.f90\nq-e-qe-7.6/PP/src/partialdos.f90\nq-e-qe-7.6/PP/src/paw_postproc.f90\nq-e-qe-7.6/PP/src/pawplot.f90\nq-e-qe-7.6/PP/src/plan_avg.f90\nq-e-qe-7.6/PP/src/plotband.f90\nq-e-qe-7.6/PP/src/plotproj.f90\nq-e-qe-7.6/PP/src/plotrho.f90\nq-e-qe-7.6/PP/src/poormanwannier.f90\nq-e-qe-7.6/PP/src/postproc.f90\nq-e-qe-7.6/PP/src/postrism.f90\nq-e-qe-7.6/PP/src/pp_example.f90\nq-e-qe-7.6/PP/src/ppacf.f90\nq-e-qe-7.6/PP/src/projections_mod.f90\nq-e-qe-7.6/PP/src/projwfc.f90\nq-e-qe-7.6/PP/src/projwfc_box.f90\nq-e-qe-7.6/PP/src/punch_plot.f90\nq-e-qe-7.6/PP/src/punch_rism.f90\nq-e-qe-7.6/PP/src/pw2bgw.f90\nq-e-qe-7.6/PP/src/pw2critic.f90\nq-e-qe-7.6/PP/src/pw2gt.f90\nq-e-qe-7.6/PP/src/pw2gw.f90\nq-e-qe-7.6/PP/src/pw2wannier90.f90\nq-e-qe-7.6/PP/src/read_proj.f90\nq-e-qe-7.6/PP/src/smallgk.f90\nq-e-qe-7.6/PP/src/solvdens.f90\nq-e-qe-7.6/PP/src/stm.f90\nq-e-qe-7.6/PP/src/stop_pp.f90\nq-e-qe-7.6/PP/src/sum_band_kin.f90\nq-e-qe-7.6/PP/src/sumpdos.f90\nq-e-qe-7.6/PP/src/sym_band.f90\nq-e-qe-7.6/PP/src/vasp_read_chgcar_mod.f90\nq-e-qe-7.6/PP/src/vasp_xml_module.f90\nq-e-qe-7.6/PP/src/wannier2pw.f90\nq-e-qe-7.6/PP/src/wannier_enrg.f90\nq-e-qe-7.6/PP/src/wannier_ham.f90\nq-e-qe-7.6/PP/src/wannier_mod.f90\nq-e-qe-7.6/PP/src/wannier_plot.f90\nq-e-qe-7.6/PP/src/wannier_proj.f90\nq-e-qe-7.6/PP/src/wfck2r.f90\nq-e-qe-7.6/PP/src/work_function.f90\nq-e-qe-7.6/PP/src/write_hamiltonians.f90\nq-e-qe-7.6/PP/src/write_io_header.f90\nq-e-qe-7.6/PP/src/write_p_avg.f90\nq-e-qe-7.6/PP/src/write_proj.f90\nq-e-qe-7.6/PP/src/xc_vdW_scale_mod.f90\nq-e-qe-7.6/PP/tools/\nq-e-qe-7.6/PP/tools/sum_states.py\nq-e-qe-7.6/PW/\nq-e-qe-7.6/PW/CMakeLists.txt\nq-e-qe-7.6/PW/Doc/\nq-e-qe-7.6/PW/Doc/INPUT_OSCDFT.def\nq-e-qe-7.6/PW/Doc/INPUT_PW.def\nq-e-qe-7.6/PW/Doc/Makefile\nq-e-qe-7.6/PW/Doc/user_guide.tex\nq-e-qe-7.6/PW/Ford.md\nq-e-qe-7.6/PW/Ford/\nq-e-qe-7.6/PW/Ford/index.md\nq-e-qe-7.6/PW/Makefile\nq-e-qe-7.6/PW/examples/\nq-e-qe-7.6/PW/examples/ESM_example/\nq-e-qe-7.6/PW/examples/ESM_example/README\nq-e-qe-7.6/PW/examples/ESM_example/reference/\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc1.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc1.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc1.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_efield.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_efield.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_efield.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_m002.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_m002.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_m002.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_p002.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_p002.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_p002.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_pbc.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_pbc.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_pbc.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_bc1.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_bc1.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_bc1.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_pbc.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_pbc.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_pbc.xml\nq-e-qe-7.6/PW/examples/ESM_example/run_example\nq-e-qe-7.6/PW/examples/ESM_example/run_example_ESM\nq-e-qe-7.6/PW/examples/ESM_example/run_example_FCP\nq-e-qe-7.6/PW/examples/ESM_example/run_example_GCSCF\nq-e-qe-7.6/PW/examples/EXX_example/\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/CPBE085nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/CPBE1nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/NPBE085nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/NPBE1nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/OPBE085nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/OPBE1nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/README\nq-e-qe-7.6/PW/examples/EXX_example/README.gaupbe\nq-e-qe-7.6/PW/examples/EXX_example/reference/\nq-e-qe-7.6/PW/examples/EXX_example/reference/c.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/c.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/c.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/co.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/co.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/co.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n2.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n2.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n2.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o2.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o2.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o2.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.PBE0_nq=1.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.PBE0_nq=2.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.PBE0_nq=4.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.gaupbe_nq=1.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.gaupbe_nq=2.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.gaupbe_nq=4.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.hse_nq=1.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.hse_nq=2.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.hse_nq=4.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/summarize\nq-e-qe-7.6/PW/examples/EXX_example/run_example\nq-e-qe-7.6/PW/examples/Extffield_example/\nq-e-qe-7.6/PW/examples/Extffield_example/README\nq-e-qe-7.6/PW/examples/Extffield_example/reference/\nq-e-qe-7.6/PW/examples/Extffield_example/reference/SiH4.extffield\nq-e-qe-7.6/PW/examples/Extffield_example/reference/SiH4.inp\nq-e-qe-7.6/PW/examples/Extffield_example/reference/SiH4.out\nq-e-qe-7.6/PW/examples/Extffield_example/reference/extffield.dat\nq-e-qe-7.6/PW/examples/Extffield_example/run_example\nq-e-qe-7.6/PW/examples/README\nq-e-qe-7.6/PW/examples/RISM_example/\nq-e-qe-7.6/PW/examples/RISM_example/MOL/\nq-e-qe-7.6/PW/examples/RISM_example/MOL/Cl-.aq.MOL\nq-e-qe-7.6/PW/examples/RISM_example/MOL/Ethanol.oplsua.MOL\nq-e-qe-7.6/PW/examples/RISM_example/MOL/H2O.spc.MOL\nq-e-qe-7.6/PW/examples/RISM_example/MOL/Na+.aq.MOL\nq-e-qe-7.6/PW/examples/RISM_example/README\nq-e-qe-7.6/PW/examples/RISM_example/reference/\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.esm1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.rism1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.esm1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.rism1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/H2O.NaCl_aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/H2O.NaCl_aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/H2O.NaCl_aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/HCHO.aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/HCHO.aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/HCHO.aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.esm1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.rism1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.xml\nq-e-qe-7.6/PW/examples/RISM_example/run_example\nq-e-qe-7.6/PW/examples/RISM_example/run_example_3D-RISM\nq-e-qe-7.6/PW/examples/RISM_example/run_example_ESM-RISM\nq-e-qe-7.6/PW/examples/VCSexample/\nq-e-qe-7.6/PW/examples/VCSexample/README\nq-e-qe-7.6/PW/examples/VCSexample/reference/\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.bfgs00.out\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.bfgs500.out\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.vcs00.out\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.vcs500.out\nq-e-qe-7.6/PW/examples/VCSexample/run_example\nq-e-qe-7.6/PW/examples/clean_all\nq-e-qe-7.6/PW/examples/cluster_example/\nq-e-qe-7.6/PW/examples/cluster_example/README\nq-e-qe-7.6/PW/examples/cluster_example/reference/\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.eigenvalues\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-12\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-16\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-20\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-24\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.eigenvalues\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-12\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-16\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-20\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-24\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.eigenvalues\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-12\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-16\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-20\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-24\nq-e-qe-7.6/PW/examples/cluster_example/run_example\nq-e-qe-7.6/PW/examples/dftd3_example/\nq-e-qe-7.6/PW/examples/dftd3_example/reference/\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d2.in\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d2.out\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d3.in\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d3.out\nq-e-qe-7.6/PW/examples/dftd3_example/run_example\nq-e-qe-7.6/PW/examples/example01/\nq-e-qe-7.6/PW/examples/example01/README\nq-e-qe-7.6/PW/examples/example01/reference/\nq-e-qe-7.6/PW/examples/example01/reference/al.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/al.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/al.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/al.scf.david.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.scf.david.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.scf.david.out\nq-e-qe-7.6/PW/examples/example01/reference/si.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/si.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/si.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/si.scf.david.out\nq-e-qe-7.6/PW/examples/example01/run_example\nq-e-qe-7.6/PW/examples/example02/\nq-e-qe-7.6/PW/examples/example02/README\nq-e-qe-7.6/PW/examples/example02/reference/\nq-e-qe-7.6/PW/examples/example02/reference/al001.mm.out\nq-e-qe-7.6/PW/examples/example02/reference/al001.rx.out\nq-e-qe-7.6/PW/examples/example02/reference/co.rx.out\nq-e-qe-7.6/PW/examples/example02/run_example\nq-e-qe-7.6/PW/examples/example03/\nq-e-qe-7.6/PW/examples/example03/README\nq-e-qe-7.6/PW/examples/example03/reference/\nq-e-qe-7.6/PW/examples/example03/reference/si.md2.out\nq-e-qe-7.6/PW/examples/example03/reference/si.md2_G3X.out\nq-e-qe-7.6/PW/examples/example03/reference/si.md8.out\nq-e-qe-7.6/PW/examples/example03/run_example\nq-e-qe-7.6/PW/examples/example04/\nq-e-qe-7.6/PW/examples/example04/README\nq-e-qe-7.6/PW/examples/example04/reference/\nq-e-qe-7.6/PW/examples/example04/reference/BP.out\nq-e-qe-7.6/PW/examples/example04/reference/chg.out\nq-e-qe-7.6/PW/examples/example04/run_example\nq-e-qe-7.6/PW/examples/example05/\nq-e-qe-7.6/PW/examples/example05/README\nq-e-qe-7.6/PW/examples/example05/reference/\nq-e-qe-7.6/PW/examples/example05/reference/Ni_gamma_d8s2.out\nq-e-qe-7.6/PW/examples/example05/reference/Ni_gamma_d9s1.out\nq-e-qe-7.6/PW/examples/example05/reference/O.out\nq-e-qe-7.6/PW/examples/example05/reference/O_gamma.out\nq-e-qe-7.6/PW/examples/example05/reference/al.out\nq-e-qe-7.6/PW/examples/example05/run_example\nq-e-qe-7.6/PW/examples/example06/\nq-e-qe-7.6/PW/examples/example06/README\nq-e-qe-7.6/PW/examples/example06/reference/\nq-e-qe-7.6/PW/examples/example06/reference/cu.band.out\nq-e-qe-7.6/PW/examples/example06/reference/cu.cg.out\nq-e-qe-7.6/PW/examples/example06/reference/cu.scf.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.angl.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.band.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.pen.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.scf.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.total.out\nq-e-qe-7.6/PW/examples/example06/reference/ni.band.out\nq-e-qe-7.6/PW/examples/example06/reference/ni.scf.out\nq-e-qe-7.6/PW/examples/example06/reference/o2.relax.out\nq-e-qe-7.6/PW/examples/example06/run_example\nq-e-qe-7.6/PW/examples/example07/\nq-e-qe-7.6/PW/examples/example07/README\nq-e-qe-7.6/PW/examples/example07/reference/\nq-e-qe-7.6/PW/examples/example07/reference/bands.pt.re\nq-e-qe-7.6/PW/examples/example07/reference/pt.nscf.out\nq-e-qe-7.6/PW/examples/example07/reference/pt.scf.out\nq-e-qe-7.6/PW/examples/example07/run_example\nq-e-qe-7.6/PW/examples/example08/\nq-e-qe-7.6/PW/examples/example08/README\nq-e-qe-7.6/PW/examples/example08/reference/\nq-e-qe-7.6/PW/examples/example08/reference/feo_LDA.in\nq-e-qe-7.6/PW/examples/example08/reference/feo_standard.in\nq-e-qe-7.6/PW/examples/example08/reference/feo_user_ns.in\nq-e-qe-7.6/PW/examples/example08/run_example\nq-e-qe-7.6/PW/examples/example09/\nq-e-qe-7.6/PW/examples/example09/README\nq-e-qe-7.6/PW/examples/example09/reference/\nq-e-qe-7.6/PW/examples/example09/reference/c4h6.pw.metaGGA.out\nq-e-qe-7.6/PW/examples/example09/run_example\nq-e-qe-7.6/PW/examples/example10/\nq-e-qe-7.6/PW/examples/example10/README\nq-e-qe-7.6/PW/examples/example10/reference/\nq-e-qe-7.6/PW/examples/example10/reference/alas.scf.efield.out\nq-e-qe-7.6/PW/examples/example10/reference/alas.scf.efield2.out\nq-e-qe-7.6/PW/examples/example10/reference/si.scf.efield.out\nq-e-qe-7.6/PW/examples/example10/reference/si.scf.efield2.out\nq-e-qe-7.6/PW/examples/example10/run_example\nq-e-qe-7.6/PW/examples/example11/\nq-e-qe-7.6/PW/examples/example11/README\nq-e-qe-7.6/PW/examples/example11/reference/\nq-e-qe-7.6/PW/examples/example11/reference/Fe.band_pbe.out\nq-e-qe-7.6/PW/examples/example11/reference/Fe.scf_pbe.out\nq-e-qe-7.6/PW/examples/example11/run_example\nq-e-qe-7.6/PW/examples/example12/\nq-e-qe-7.6/PW/examples/example12/README\nq-e-qe-7.6/PW/examples/example12/reference/\nq-e-qe-7.6/PW/examples/example12/reference/Fe.bands.in\nq-e-qe-7.6/PW/examples/example12/reference/Fe.bands.out\nq-e-qe-7.6/PW/examples/example12/reference/Fe.scf.in\nq-e-qe-7.6/PW/examples/example12/reference/Fe.scf.out\nq-e-qe-7.6/PW/examples/example12/run_example\nq-e-qe-7.6/PW/examples/example13/\nq-e-qe-7.6/PW/examples/example13/reference/\nq-e-qe-7.6/PW/examples/example13/reference/LiCoO2.scf.in\nq-e-qe-7.6/PW/examples/example13/reference/LiCoO2.scf.out\nq-e-qe-7.6/PW/examples/example13/run_example\nq-e-qe-7.6/PW/examples/example14/\nq-e-qe-7.6/PW/examples/example14/README\nq-e-qe-7.6/PW/examples/example14/reference/\nq-e-qe-7.6/PW/examples/example14/reference/srvo3.dmft_scf.out\nq-e-qe-7.6/PW/examples/example14/reference/srvo3.nscf.out\nq-e-qe-7.6/PW/examples/example14/reference/srvo3.scf.out\nq-e-qe-7.6/PW/examples/example14/run_example\nq-e-qe-7.6/PW/examples/example14/srvo3_dmft.h5\nq-e-qe-7.6/PW/examples/example15/\nq-e-qe-7.6/PW/examples/example15/README\nq-e-qe-7.6/PW/examples/example15/reference1/\nq-e-qe-7.6/PW/examples/example15/reference1/FeO.scf.in\nq-e-qe-7.6/PW/examples/example15/reference1/oscdft.in\nq-e-qe-7.6/PW/examples/example15/reference2/\nq-e-qe-7.6/PW/examples/example15/reference2/FeO.scf.in\nq-e-qe-7.6/PW/examples/example15/reference2/oscdft.in\nq-e-qe-7.6/PW/examples/example15/run1\nq-e-qe-7.6/PW/examples/example15/run2\nq-e-qe-7.6/PW/examples/example16/\nq-e-qe-7.6/PW/examples/example16/README\nq-e-qe-7.6/PW/examples/example16/reference/\nq-e-qe-7.6/PW/examples/example16/reference/LiCoO2.scf.1.in\nq-e-qe-7.6/PW/examples/example16/reference/LiCoO2.scf.2.in\nq-e-qe-7.6/PW/examples/example16/run_example\nq-e-qe-7.6/PW/examples/example17/\nq-e-qe-7.6/PW/examples/example17/README\nq-e-qe-7.6/PW/examples/example17/reference/\nq-e-qe-7.6/PW/examples/example17/reference/LiCoO2.scf.in\nq-e-qe-7.6/PW/examples/example17/run_example\nq-e-qe-7.6/PW/examples/gammaDFT_example/\nq-e-qe-7.6/PW/examples/gammaDFT_example/README\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/MgO_1.in\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/MgO_2.in\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/MgO_3.in\nq-e-qe-7.6/PW/examples/gammaDFT_example/run_example\nq-e-qe-7.6/PW/examples/gatefield/\nq-e-qe-7.6/PW/examples/gatefield/reference/\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.bands.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.bands.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.bands.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.bands.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_-0.10.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_-0.10.out\nq-e-qe-7.6/PW/examples/gatefield/run_example\nq-e-qe-7.6/PW/examples/run_all_examples\nq-e-qe-7.6/PW/examples/vdwDF_example/\nq-e-qe-7.6/PW/examples/vdwDF_example/README\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/Ar.scf.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/graphite.scf.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/water.scf.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/graphite.scf.+1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/graphite.scf.-1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/graphite.scf.0.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/water.scf.+1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/water.scf.-1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/water.scf.0.out\nq-e-qe-7.6/PW/examples/vdwDF_example/run_example\nq-e-qe-7.6/PW/examples/vdwDF_example/run_example_delta_scf\nq-e-qe-7.6/PW/src/\nq-e-qe-7.6/PW/src/Coul_cut_2D.f90\nq-e-qe-7.6/PW/src/Makefile\nq-e-qe-7.6/PW/src/a2fmod.f90\nq-e-qe-7.6/PW/src/acfdt_in_pw.f90\nq-e-qe-7.6/PW/src/add_bfield.f90\nq-e-qe-7.6/PW/src/add_dmft_occ.f90\nq-e-qe-7.6/PW/src/add_efield.f90\nq-e-qe-7.6/PW/src/add_gatefield.f90\nq-e-qe-7.6/PW/src/add_paw_to_deeq.f90\nq-e-qe-7.6/PW/src/add_paw_to_deeq_acc.f90\nq-e-qe-7.6/PW/src/add_qexsd_step.f90\nq-e-qe-7.6/PW/src/add_vhub_to_deeq.f90\nq-e-qe-7.6/PW/src/add_vhub_to_deeq_acc.f90\nq-e-qe-7.6/PW/src/add_vuspsi.f90\nq-e-qe-7.6/PW/src/add_vuspsi_acc.f90\nq-e-qe-7.6/PW/src/addusdens.f90\nq-e-qe-7.6/PW/src/addusforce.f90\nq-e-qe-7.6/PW/src/addusstress.f90\nq-e-qe-7.6/PW/src/allocate_fft.f90\nq-e-qe-7.6/PW/src/allocate_locpot.f90\nq-e-qe-7.6/PW/src/allocate_wfc.f90\nq-e-qe-7.6/PW/src/atomic_rho.f90\nq-e-qe-7.6/PW/src/atomic_wfc.f90\nq-e-qe-7.6/PW/src/atomic_wfc_mod.f90\nq-e-qe-7.6/PW/src/average_pp.f90\nq-e-qe-7.6/PW/src/beef.f90\nq-e-qe-7.6/PW/src/bp_c_phase.f90\nq-e-qe-7.6/PW/src/bp_mod.f90\nq-e-qe-7.6/PW/src/bp_strings.f90\nq-e-qe-7.6/PW/src/buffers.f90\nq-e-qe-7.6/PW/src/c_bands.f90\nq-e-qe-7.6/PW/src/c_phase_field.f90\nq-e-qe-7.6/PW/src/cdiagh.f90\nq-e-qe-7.6/PW/src/clean_pw.f90\nq-e-qe-7.6/PW/src/close_files.f90\nq-e-qe-7.6/PW/src/commutator_Hx_psi.f90\nq-e-qe-7.6/PW/src/commutator_Vhubx_psi.f90\nq-e-qe-7.6/PW/src/compute_becsum.f90\nq-e-qe-7.6/PW/src/compute_deff.f90\nq-e-qe-7.6/PW/src/compute_dip.f90\nq-e-qe-7.6/PW/src/compute_qdipol.f90\nq-e-qe-7.6/PW/src/compute_qdipol_so.f90\nq-e-qe-7.6/PW/src/compute_rho.f90\nq-e-qe-7.6/PW/src/compute_ux.f90\nq-e-qe-7.6/PW/src/d3hess_mod.f90\nq-e-qe-7.6/PW/src/d_matrix.f90\nq-e-qe-7.6/PW/src/data_structure.f90\nq-e-qe-7.6/PW/src/diag_direct.f90\nq-e-qe-7.6/PW/src/divide_class.f90\nq-e-qe-7.6/PW/src/divide_class_so.f90\nq-e-qe-7.6/PW/src/divide_et_impera.f90\nq-e-qe-7.6/PW/src/dynamics_module.f90\nq-e-qe-7.6/PW/src/efermig.f90\nq-e-qe-7.6/PW/src/efermit.f90\nq-e-qe-7.6/PW/src/electrons.f90\nq-e-qe-7.6/PW/src/environ_io_stub.f90\nq-e-qe-7.6/PW/src/environ_pw_module.f90\nq-e-qe-7.6/PW/src/eqvect.f90\nq-e-qe-7.6/PW/src/esm.f90\nq-e-qe-7.6/PW/src/esm_common_mod.f90\nq-e-qe-7.6/PW/src/esm_ewald_mod.f90\nq-e-qe-7.6/PW/src/esm_force_mod.f90\nq-e-qe-7.6/PW/src/esm_hartree_mod.f90\nq-e-qe-7.6/PW/src/esm_local_mod.f90\nq-e-qe-7.6/PW/src/esm_stres_mod.f90\nq-e-qe-7.6/PW/src/ewald.f90\nq-e-qe-7.6/PW/src/ewald_dipole.f90\nq-e-qe-7.6/PW/src/extfield.f90\nq-e-qe-7.6/PW/src/exx.f90\nq-e-qe-7.6/PW/src/exx_base.f90\nq-e-qe-7.6/PW/src/exx_bp.f90\nq-e-qe-7.6/PW/src/exx_bp_utils.f90\nq-e-qe-7.6/PW/src/exx_std.f90\nq-e-qe-7.6/PW/src/fcp_capacitance.f90\nq-e-qe-7.6/PW/src/fcp_dyn_calcavg.f90\nq-e-qe-7.6/PW/src/fcp_dyn_printavg.f90\nq-e-qe-7.6/PW/src/fcp_dynamics.f90\nq-e-qe-7.6/PW/src/fcp_hessian.f90\nq-e-qe-7.6/PW/src/fcp_input.f90\nq-e-qe-7.6/PW/src/fcp_module.f90\nq-e-qe-7.6/PW/src/fcp_relaxation.f90\nq-e-qe-7.6/PW/src/find_group.f90\nq-e-qe-7.6/PW/src/force_cc.f90\nq-e-qe-7.6/PW/src/force_corr.f90\nq-e-qe-7.6/PW/src/force_ew.f90\nq-e-qe-7.6/PW/src/force_hub.f90\nq-e-qe-7.6/PW/src/force_lc.f90\nq-e-qe-7.6/PW/src/force_us.f90\nq-e-qe-7.6/PW/src/forces.f90\nq-e-qe-7.6/PW/src/forces_bp_efield.f90\nq-e-qe-7.6/PW/src/g2_kin.f90\nq-e-qe-7.6/PW/src/g_psi.f90\nq-e-qe-7.6/PW/src/g_psi_mod.f90\nq-e-qe-7.6/PW/src/gcscf_input.f90\nq-e-qe-7.6/PW/src/gcscf_module.f90\nq-e-qe-7.6/PW/src/gen_at_dj.f90\nq-e-qe-7.6/PW/src/gen_at_dy.f90\nq-e-qe-7.6/PW/src/get_locals.f90\nq-e-qe-7.6/PW/src/gk_sort.f90\nq-e-qe-7.6/PW/src/gradcorr.f90\nq-e-qe-7.6/PW/src/gweights.f90\nq-e-qe-7.6/PW/src/h_epsi_her_apply.f90\nq-e-qe-7.6/PW/src/h_epsi_her_set.f90\nq-e-qe-7.6/PW/src/h_psi.f90\nq-e-qe-7.6/PW/src/h_psi_meta.f90\nq-e-qe-7.6/PW/src/hinit0.f90\nq-e-qe-7.6/PW/src/hinit1.f90\nq-e-qe-7.6/PW/src/hs_1psi.f90\nq-e-qe-7.6/PW/src/hs_psi.f90\nq-e-qe-7.6/PW/src/hubbard.f90\nq-e-qe-7.6/PW/src/init_ns.f90\nq-e-qe-7.6/PW/src/init_nsg.f90\nq-e-qe-7.6/PW/src/init_q_aeps.f90\nq-e-qe-7.6/PW/src/init_run.f90\nq-e-qe-7.6/PW/src/init_us_2.f90\nq-e-qe-7.6/PW/src/init_vloc.f90\nq-e-qe-7.6/PW/src/input.f90\nq-e-qe-7.6/PW/src/intersite_V.f90\nq-e-qe-7.6/PW/src/io_rho_xml.f90\nq-e-qe-7.6/PW/src/irreducible_BZ.f90\nq-e-qe-7.6/PW/src/iweights.f90\nq-e-qe-7.6/PW/src/kpoint_grid.f90\nq-e-qe-7.6/PW/src/lchk_tauxk.f90\nq-e-qe-7.6/PW/src/ldaU.f90\nq-e-qe-7.6/PW/src/loc_scdm.f90\nq-e-qe-7.6/PW/src/loc_scdm_k.f90\nq-e-qe-7.6/PW/src/make_pointlists.f90\nq-e-qe-7.6/PW/src/manypw.f90\nq-e-qe-7.6/PW/src/martyna_tuckerman.f90\nq-e-qe-7.6/PW/src/memory_report.f90\nq-e-qe-7.6/PW/src/mix_rho.f90\nq-e-qe-7.6/PW/src/move_ions.f90\nq-e-qe-7.6/PW/src/multable.f90\nq-e-qe-7.6/PW/src/n_plane_waves.f90\nq-e-qe-7.6/PW/src/new_ns.f90\nq-e-qe-7.6/PW/src/new_nsb.f90\nq-e-qe-7.6/PW/src/new_nsg.f90\nq-e-qe-7.6/PW/src/new_occ.f90\nq-e-qe-7.6/PW/src/newd_acc.f90\nq-e-qe-7.6/PW/src/non_scf.f90\nq-e-qe-7.6/PW/src/ns_adj.f90\nq-e-qe-7.6/PW/src/offset_atom_wfc.f90\nq-e-qe-7.6/PW/src/openfil.f90\nq-e-qe-7.6/PW/src/orbm_kubo.f90\nq-e-qe-7.6/PW/src/orthoUwfc.f90\nq-e-qe-7.6/PW/src/ortho_wfc.f90\nq-e-qe-7.6/PW/src/orthoatwfc.f90\nq-e-qe-7.6/PW/src/oscdft_base.f90\nq-e-qe-7.6/PW/src/oscdft_context.f90\nq-e-qe-7.6/PW/src/oscdft_enums.f90\nq-e-qe-7.6/PW/src/oscdft_extended.f90\nq-e-qe-7.6/PW/src/oscdft_forces.f90\nq-e-qe-7.6/PW/src/oscdft_forces_subs.f90\nq-e-qe-7.6/PW/src/oscdft_functions.f90\nq-e-qe-7.6/PW/src/oscdft_functions_gpu.f90\nq-e-qe-7.6/PW/src/oscdft_indices.f90\nq-e-qe-7.6/PW/src/oscdft_input.f90\nq-e-qe-7.6/PW/src/oscdft_occupations.f90\nq-e-qe-7.6/PW/src/oscdft_wavefunction.f90\nq-e-qe-7.6/PW/src/oscdft_wavefunction_subs.f90\nq-e-qe-7.6/PW/src/oscdft_wfcO.f90\nq-e-qe-7.6/PW/src/output_tau.f90\nq-e-qe-7.6/PW/src/para.f90\nq-e-qe-7.6/PW/src/paw_exx.f90\nq-e-qe-7.6/PW/src/paw_init.f90\nq-e-qe-7.6/PW/src/paw_onecenter.f90\nq-e-qe-7.6/PW/src/paw_symmetry.f90\nq-e-qe-7.6/PW/src/plugin_check.f90\nq-e-qe-7.6/PW/src/plugin_clean.f90\nq-e-qe-7.6/PW/src/plugin_clock.f90\nq-e-qe-7.6/PW/src/plugin_ext_forces.f90\nq-e-qe-7.6/PW/src/plugin_init_cell.f90\nq-e-qe-7.6/PW/src/plugin_init_ions.f90\nq-e-qe-7.6/PW/src/plugin_init_potential.f90\nq-e-qe-7.6/PW/src/plugin_initbase.f90\nq-e-qe-7.6/PW/src/plugin_initialization.f90\nq-e-qe-7.6/PW/src/plugin_int_forces.f90\nq-e-qe-7.6/PW/src/plugin_print_energies.f90\nq-e-qe-7.6/PW/src/plugin_read_input.f90\nq-e-qe-7.6/PW/src/plugin_scf_energy.f90\nq-e-qe-7.6/PW/src/plugin_scf_potential.f90\nq-e-qe-7.6/PW/src/plugin_summary.f90\nq-e-qe-7.6/PW/src/plus_u_full.f90\nq-e-qe-7.6/PW/src/potinit.f90\nq-e-qe-7.6/PW/src/print_clock_pw.f90\nq-e-qe-7.6/PW/src/print_ks_energies.f90\nq-e-qe-7.6/PW/src/printpot.f90\nq-e-qe-7.6/PW/src/punch.f90\nq-e-qe-7.6/PW/src/pw2blip.f90\nq-e-qe-7.6/PW/src/pw2casino.f90\nq-e-qe-7.6/PW/src/pw2casino_write.f90\nq-e-qe-7.6/PW/src/pw_init_qexsd_input.f90\nq-e-qe-7.6/PW/src/pw_restart_new.f90\nq-e-qe-7.6/PW/src/pwcom.f90\nq-e-qe-7.6/PW/src/pwscf.f90\nq-e-qe-7.6/PW/src/rdiagh.f90\nq-e-qe-7.6/PW/src/read_conf_from_file.f90\nq-e-qe-7.6/PW/src/read_file_new.f90\nq-e-qe-7.6/PW/src/realus.f90\nq-e-qe-7.6/PW/src/remove_atomic_rho.f90\nq-e-qe-7.6/PW/src/report_mag.f90\nq-e-qe-7.6/PW/src/restart_in_electrons.f90\nq-e-qe-7.6/PW/src/rho2zeta.f90\nq-e-qe-7.6/PW/src/rism_module.f90\nq-e-qe-7.6/PW/src/rotate_wfc.f90\nq-e-qe-7.6/PW/src/run_driver.f90\nq-e-qe-7.6/PW/src/run_pwscf.f90\nq-e-qe-7.6/PW/src/ruotaijk.f90\nq-e-qe-7.6/PW/src/s_1psi.f90\nq-e-qe-7.6/PW/src/s_psi.f90\nq-e-qe-7.6/PW/src/save_in_cbands.f90\nq-e-qe-7.6/PW/src/save_in_electrons.f90\nq-e-qe-7.6/PW/src/scale_h.f90\nq-e-qe-7.6/PW/src/scf_mod.f90\nq-e-qe-7.6/PW/src/scissor.f90\nq-e-qe-7.6/PW/src/set_kplusq.f90\nq-e-qe-7.6/PW/src/set_kup_and_kdw.f90\nq-e-qe-7.6/PW/src/set_occupations.f90\nq-e-qe-7.6/PW/src/set_rhoc.f90\nq-e-qe-7.6/PW/src/set_spin_vars.f90\nq-e-qe-7.6/PW/src/set_vrs.f90\nq-e-qe-7.6/PW/src/setlocal.f90\nq-e-qe-7.6/PW/src/setup.f90\nq-e-qe-7.6/PW/src/sic.f90\nq-e-qe-7.6/PW/src/start_k.f90\nq-e-qe-7.6/PW/src/starting_scf_mod.f90\nq-e-qe-7.6/PW/src/stop_run.f90\nq-e-qe-7.6/PW/src/stres_cc.f90\nq-e-qe-7.6/PW/src/stres_ewa.f90\nq-e-qe-7.6/PW/src/stres_gradcorr.f90\nq-e-qe-7.6/PW/src/stres_har.f90\nq-e-qe-7.6/PW/src/stres_hub.f90\nq-e-qe-7.6/PW/src/stres_knl.f90\nq-e-qe-7.6/PW/src/stres_loc.f90\nq-e-qe-7.6/PW/src/stres_mgga.f90\nq-e-qe-7.6/PW/src/stres_nonloc_dft.f90\nq-e-qe-7.6/PW/src/stres_us.f90\nq-e-qe-7.6/PW/src/stress.f90\nq-e-qe-7.6/PW/src/struct_fact.f90\nq-e-qe-7.6/PW/src/sum_band.f90\nq-e-qe-7.6/PW/src/sumkg.f90\nq-e-qe-7.6/PW/src/sumkt.f90\nq-e-qe-7.6/PW/src/summary.f90\nq-e-qe-7.6/PW/src/symm_base.f90\nq-e-qe-7.6/PW/src/symme.f90\nq-e-qe-7.6/PW/src/symmetrize_at.f90\nq-e-qe-7.6/PW/src/tetra.f90\nq-e-qe-7.6/PW/src/transform_becsum_nc.f90\nq-e-qe-7.6/PW/src/transform_becsum_so.f90\nq-e-qe-7.6/PW/src/trnvecc.f90\nq-e-qe-7.6/PW/src/two_chem.f90\nq-e-qe-7.6/PW/src/update_pot.f90\nq-e-qe-7.6/PW/src/us_exx.f90\nq-e-qe-7.6/PW/src/usnldiag.f90\nq-e-qe-7.6/PW/src/utils.f90\nq-e-qe-7.6/PW/src/utils_gpu.f90\nq-e-qe-7.6/PW/src/v_hubbard.f90\nq-e-qe-7.6/PW/src/v_of_rho.f90\nq-e-qe-7.6/PW/src/vcsmd.f90\nq-e-qe-7.6/PW/src/vcsubs.f90\nq-e-qe-7.6/PW/src/vhpsi.f90\nq-e-qe-7.6/PW/src/vhpsi_U.f90\nq-e-qe-7.6/PW/src/vloc_psi_acc.f90\nq-e-qe-7.6/PW/src/vloc_psi_tg.f90\nq-e-qe-7.6/PW/src/wannier_check.f90\nq-e-qe-7.6/PW/src/wannier_clean.f90\nq-e-qe-7.6/PW/src/wannier_init.f90\nq-e-qe-7.6/PW/src/wannier_occ.f90\nq-e-qe-7.6/PW/src/weights.f90\nq-e-qe-7.6/PW/src/wfcinit.f90\nq-e-qe-7.6/PW/src/write_ns.f90\nq-e-qe-7.6/PW/src/wsweight.f90\nq-e-qe-7.6/PW/src/xdm_dispersion.f90\nq-e-qe-7.6/PW/tools/\nq-e-qe-7.6/PW/tools/MINpuT.ipynb\nq-e-qe-7.6/PW/tools/MINpuT.py\nq-e-qe-7.6/PW/tools/Makefile\nq-e-qe-7.6/PW/tools/README\nq-e-qe-7.6/PW/tools/README_MINpuT.txt\nq-e-qe-7.6/PW/tools/castep2qe.sh\nq-e-qe-7.6/PW/tools/cell2ibrav.f90\nq-e-qe-7.6/PW/tools/cif2qe.sh\nq-e-qe-7.6/PW/tools/ev.f90\nq-e-qe-7.6/PW/tools/graphene.cif\nq-e-qe-7.6/PW/tools/graphene_hBN.in\nq-e-qe-7.6/PW/tools/hBN.cif\nq-e-qe-7.6/PW/tools/ibrav2cell.f90\nq-e-qe-7.6/PW/tools/kpoints.f90\nq-e-qe-7.6/PW/tools/md_analyzer.sh\nq-e-qe-7.6/PW/tools/pwi2xsf.f90\nq-e-qe-7.6/PW/tools/pwi2xsf.sh\nq-e-qe-7.6/PW/tools/pwo2xsf.sh\nq-e-qe-7.6/PW/tools/qeout2axsf.sh\nq-e-qe-7.6/PW/tools/rism1d.f90\nq-e-qe-7.6/PW/tools/scan_ibrav.f90\nq-e-qe-7.6/PW/tools/system.cif\nq-e-qe-7.6/PW/tools/xsf2pwi.sh\nq-e-qe-7.6/PWCOND/\nq-e-qe-7.6/PWCOND/CMakeLists.txt\nq-e-qe-7.6/PWCOND/Doc/\nq-e-qe-7.6/PWCOND/Doc/INPUT_PWCOND.def\nq-e-qe-7.6/PWCOND/Doc/Makefile\nq-e-qe-7.6/PWCOND/Makefile\nq-e-qe-7.6/PWCOND/examples/\nq-e-qe-7.6/PWCOND/examples/clean_all\nq-e-qe-7.6/PWCOND/examples/example01/\nq-e-qe-7.6/PWCOND/examples/example01/README\nq-e-qe-7.6/PWCOND/examples/example01/reference/\nq-e-qe-7.6/PWCOND/examples/example01/reference/AlwireAl.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/AlwireH.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/AlwireH.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/al.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/al.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/alwire.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/alwire.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/alwire1.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.al.co\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.al.im\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.al.re\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.alwire.co\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.alwire.im\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.alwire.re\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.ni_down.co\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.ni_down.im\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.ni_down.re\nq-e-qe-7.6/PWCOND/examples/example01/reference/ni.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/ni.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/trans.alwire\nq-e-qe-7.6/PWCOND/examples/example01/reference/trans.alwireh\nq-e-qe-7.6/PWCOND/examples/example01/run_example\nq-e-qe-7.6/PWCOND/examples/example02/\nq-e-qe-7.6/PWCOND/examples/example02/README\nq-e-qe-7.6/PWCOND/examples/example02/reference/\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt.cond.out\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt.cond_t.out\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt.tet.out\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt4.out\nq-e-qe-7.6/PWCOND/examples/example02/run_example\nq-e-qe-7.6/PWCOND/examples/example03/\nq-e-qe-7.6/PWCOND/examples/example03/README\nq-e-qe-7.6/PWCOND/examples/example03/reference/\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire1.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire1U.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/AuwireU.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/AuwireU.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwire.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwire.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwireU.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwireU.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.co_im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.co_re\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.re\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.co_im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.co_re\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.re\nq-e-qe-7.6/PWCOND/examples/example03/reference/plot_results.gnu\nq-e-qe-7.6/PWCOND/examples/example03/reference/trans.AuwireCO\nq-e-qe-7.6/PWCOND/examples/example03/reference/transU.AuwireCO\nq-e-qe-7.6/PWCOND/examples/example03/run_example\nq-e-qe-7.6/PWCOND/examples/run_all_examples\nq-e-qe-7.6/PWCOND/src/\nq-e-qe-7.6/PWCOND/src/Makefile\nq-e-qe-7.6/PWCOND/src/allocate_cond.f90\nq-e-qe-7.6/PWCOND/src/bessj.f90\nq-e-qe-7.6/PWCOND/src/compbs.f90\nq-e-qe-7.6/PWCOND/src/compbs_2.f90\nq-e-qe-7.6/PWCOND/src/cond_out.f90\nq-e-qe-7.6/PWCOND/src/cond_restart.f90\nq-e-qe-7.6/PWCOND/src/condcom.f90\nq-e-qe-7.6/PWCOND/src/condmain.f90\nq-e-qe-7.6/PWCOND/src/do_cond.f90\nq-e-qe-7.6/PWCOND/src/eigenchnl.f90\nq-e-qe-7.6/PWCOND/src/form_zk.f90\nq-e-qe-7.6/PWCOND/src/four.f90\nq-e-qe-7.6/PWCOND/src/free_mem.f90\nq-e-qe-7.6/PWCOND/src/gep_x.f90\nq-e-qe-7.6/PWCOND/src/gramsh.f90\nq-e-qe-7.6/PWCOND/src/hev_ab.f90\nq-e-qe-7.6/PWCOND/src/init_cond.f90\nq-e-qe-7.6/PWCOND/src/init_gper.f90\nq-e-qe-7.6/PWCOND/src/init_orbitals.f90\nq-e-qe-7.6/PWCOND/src/integrals.f90\nq-e-qe-7.6/PWCOND/src/jbloch.f90\nq-e-qe-7.6/PWCOND/src/kbloch.f90\nq-e-qe-7.6/PWCOND/src/local.f90\nq-e-qe-7.6/PWCOND/src/local_set.f90\nq-e-qe-7.6/PWCOND/src/openfil_cond.f90\nq-e-qe-7.6/PWCOND/src/plus_u_setup.f90\nq-e-qe-7.6/PWCOND/src/poten.f90\nq-e-qe-7.6/PWCOND/src/print_clock_pwcond.f90\nq-e-qe-7.6/PWCOND/src/realus_scatt.f90\nq-e-qe-7.6/PWCOND/src/rotproc.f90\nq-e-qe-7.6/PWCOND/src/save_cond.f90\nq-e-qe-7.6/PWCOND/src/scat_states_plot.f90\nq-e-qe-7.6/PWCOND/src/scatter_forw.f90\nq-e-qe-7.6/PWCOND/src/summary_band.f90\nq-e-qe-7.6/PWCOND/src/summary_tran.f90\nq-e-qe-7.6/PWCOND/src/sunitary.f90\nq-e-qe-7.6/PWCOND/src/transmit.f90\nq-e-qe-7.6/QEHeat/\nq-e-qe-7.6/QEHeat/CMakeLists.txt\nq-e-qe-7.6/QEHeat/Doc/\nq-e-qe-7.6/QEHeat/Doc/INPUT_ALL_CURRENTS.def\nq-e-qe-7.6/QEHeat/Doc/Makefile\nq-e-qe-7.6/QEHeat/Doc/input_xx.xsl\nq-e-qe-7.6/QEHeat/Makefile\nq-e-qe-7.6/QEHeat/README\nq-e-qe-7.6/QEHeat/examples/\nq-e-qe-7.6/QEHeat/examples/README.md\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/input\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/current_hz\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/current_hz.dat\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/output\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/run_example.sh\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/traj.pos\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/traj.vel\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/input_energycurrent\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/current_hz\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/current_hz.dat\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/output_energycurrent\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/run_example.sh\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/input_all_currents\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/input_cp\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/current_hz\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/current_hz.dat\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/out_all_currents\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/out_cp\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.0_0\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.cel\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.con\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.eig\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.evp\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.for\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.hrs\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.ncg\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.nos\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.pol\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.pos\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.spr\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.str\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.the\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.vel\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.wfc\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/run_example_water\nq-e-qe-7.6/QEHeat/examples/pseudo/\nq-e-qe-7.6/QEHeat/examples/pseudo/Ar_ONCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/H_HSCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/O_HSCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/O_ONCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/Si_ONCV_PBE-1.1.upf\nq-e-qe-7.6/QEHeat/src/\nq-e-qe-7.6/QEHeat/src/Makefile\nq-e-qe-7.6/QEHeat/src/all_currents.f90\nq-e-qe-7.6/QEHeat/src/averages.f90\nq-e-qe-7.6/QEHeat/src/compute_charge.f90\nq-e-qe-7.6/QEHeat/src/cpv_traj.f90\nq-e-qe-7.6/QEHeat/src/cpv_traj_test.f90\nq-e-qe-7.6/QEHeat/src/ec_functionals.f90\nq-e-qe-7.6/QEHeat/src/hartree_xc_mod.f90\nq-e-qe-7.6/QEHeat/src/init_us_3.f90\nq-e-qe-7.6/QEHeat/src/ionic_mod.f90\nq-e-qe-7.6/QEHeat/src/kohn_sham_mod.f90\nq-e-qe-7.6/QEHeat/src/project.f90\nq-e-qe-7.6/QEHeat/src/scf_result.f90\nq-e-qe-7.6/QEHeat/src/test_h_psi_s_psi_commutator_Hx_psi.f90\nq-e-qe-7.6/QEHeat/src/traj_object.f90\nq-e-qe-7.6/QEHeat/src/zero_mod.f90\nq-e-qe-7.6/README.md\nq-e-qe-7.6/README_GPU.md\nq-e-qe-7.6/TDDFPT/\nq-e-qe-7.6/TDDFPT/.dependencies\nq-e-qe-7.6/TDDFPT/CMakeLists.txt\nq-e-qe-7.6/TDDFPT/ColorCalculator/\nq-e-qe-7.6/TDDFPT/ColorCalculator/CIEx\nq-e-qe-7.6/TDDFPT/ColorCalculator/CIEy\nq-e-qe-7.6/TDDFPT/ColorCalculator/CIEz\nq-e-qe-7.6/TDDFPT/ColorCalculator/ColorCalculator5.jar\nq-e-qe-7.6/TDDFPT/ColorCalculator/D65.light\nq-e-qe-7.6/TDDFPT/ColorCalculator/Install\nq-e-qe-7.6/TDDFPT/ColorCalculator/Makefile\nq-e-qe-7.6/TDDFPT/ColorCalculator/README\nq-e-qe-7.6/TDDFPT/ColorCalculator/colorBlue.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/pelargonin_inter_sort.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/pelargonin_no_inter.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/pelargonin_no_inter_no_sort.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/ColorCalculator.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/ColorWindow.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/GUITools.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/Graph.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/GraphFactory.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/Manifest.txt\nq-e-qe-7.6/TDDFPT/Doc/\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Davidson.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_EELS.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Lanczos.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Magnon.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Spectrum.def\nq-e-qe-7.6/TDDFPT/Doc/Makefile\nq-e-qe-7.6/TDDFPT/Makefile\nq-e-qe-7.6/TDDFPT/README\nq-e-qe-7.6/TDDFPT/examples/\nq-e-qe-7.6/TDDFPT/examples/README\nq-e-qe-7.6/TDDFPT/examples/clean_all\nq-e-qe-7.6/TDDFPT/examples/example01/\nq-e-qe-7.6/TDDFPT/examples/example01/reference/\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example01/run_example\nq-e-qe-7.6/TDDFPT/examples/example02/\nq-e-qe-7.6/TDDFPT/examples/example02/reference/\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.scf.in\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.scf.out\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example02/run_example\nq-e-qe-7.6/TDDFPT/examples/example03/\nq-e-qe-7.6/TDDFPT/examples/example03/reference/\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.scf.in\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.scf.out\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example03/run_example\nq-e-qe-7.6/TDDFPT/examples/example04/\nq-e-qe-7.6/TDDFPT/examples/example04/reference/\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example04/run_example\nq-e-qe-7.6/TDDFPT/examples/example05/\nq-e-qe-7.6/TDDFPT/examples/example05/reference/\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example05/run_example\nq-e-qe-7.6/TDDFPT/examples/example06/\nq-e-qe-7.6/TDDFPT/examples/example06/reference/\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt2.in\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt2.out\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example06/reference/README\nq-e-qe-7.6/TDDFPT/examples/example06/run_example\nq-e-qe-7.6/TDDFPT/examples/example07/\nq-e-qe-7.6/TDDFPT/examples/example07/reference/\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example07/reference/environ.in\nq-e-qe-7.6/TDDFPT/examples/example07/run_example\nq-e-qe-7.6/TDDFPT/examples/example08/\nq-e-qe-7.6/TDDFPT/examples/example08/reference/\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.eigen\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example08/run_example\nq-e-qe-7.6/TDDFPT/examples/example09/\nq-e-qe-7.6/TDDFPT/examples/example09/reference/\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.eigen\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.scf.in\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.scf.out\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example09/run_example\nq-e-qe-7.6/TDDFPT/examples/example10/\nq-e-qe-7.6/TDDFPT/examples/example10/reference/\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.eigen\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example10/run_example\nq-e-qe-7.6/TDDFPT/examples/example11/\nq-e-qe-7.6/TDDFPT/examples/example11/reference/\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.eigen\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example11/reference/environ.in\nq-e-qe-7.6/TDDFPT/examples/example11/run_example\nq-e-qe-7.6/TDDFPT/examples/example12/\nq-e-qe-7.6/TDDFPT/examples/example12/reference/\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.eigen\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.pp.in\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.pp.out\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.scf.in\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.scf.out\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example12/reference/drho-of-eign-1.cube\nq-e-qe-7.6/TDDFPT/examples/example12/run_example\nq-e-qe-7.6/TDDFPT/examples/example13/\nq-e-qe-7.6/TDDFPT/examples/example13/reference/\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.scf.in\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.scf.out\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example13/run_example\nq-e-qe-7.6/TDDFPT/examples/example14/\nq-e-qe-7.6/TDDFPT/examples/example14/reference/\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.scf.in\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.scf.out\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example14/run_example\nq-e-qe-7.6/TDDFPT/examples/example15/\nq-e-qe-7.6/TDDFPT/examples/example15/reference/\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.scf.in\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.scf.out\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example15/run_example\nq-e-qe-7.6/TDDFPT/examples/example16/\nq-e-qe-7.6/TDDFPT/examples/example16/reference/\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.scf.in\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.scf.out\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example16/run_example\nq-e-qe-7.6/TDDFPT/examples/example17/\nq-e-qe-7.6/TDDFPT/examples/example17/reference/\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.scf.in\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.scf.out\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example17/run_example\nq-e-qe-7.6/TDDFPT/examples/example18/\nq-e-qe-7.6/TDDFPT/examples/example18/reference/\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.scf.in\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.scf.out\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example18/run_example\nq-e-qe-7.6/TDDFPT/examples/example19/\nq-e-qe-7.6/TDDFPT/examples/example19/reference/\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.scf.in\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.scf.out\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example19/run_example\nq-e-qe-7.6/TDDFPT/examples/run_all_examples\nq-e-qe-7.6/TDDFPT/src/\nq-e-qe-7.6/TDDFPT/src/Makefile\nq-e-qe-7.6/TDDFPT/src/bcast_lr_input.f90\nq-e-qe-7.6/TDDFPT/src/dveqpsi_us.f90\nq-e-qe-7.6/TDDFPT/src/dveqpsi_us_only.f90\nq-e-qe-7.6/TDDFPT/src/environ_td_module.f90\nq-e-qe-7.6/TDDFPT/src/linear_solvers.f90\nq-e-qe-7.6/TDDFPT/src/lr_Opsi_magnons.f90\nq-e-qe-7.6/TDDFPT/src/lr_addus_dvpsi.f90\nq-e-qe-7.6/TDDFPT/src/lr_alloc_init.f90\nq-e-qe-7.6/TDDFPT/src/lr_apply_liouvillian.f90\nq-e-qe-7.6/TDDFPT/src/lr_apply_liouvillian_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_apply_liouvillian_magnons.f90\nq-e-qe-7.6/TDDFPT/src/lr_calc_dens.f90\nq-e-qe-7.6/TDDFPT/src/lr_calc_dens_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_calc_dens_eels_nc.f90\nq-e-qe-7.6/TDDFPT/src/lr_calc_dens_magnons.f90\nq-e-qe-7.6/TDDFPT/src/lr_charg_resp.f90\nq-e-qe-7.6/TDDFPT/src/lr_compute_intq.f90\nq-e-qe-7.6/TDDFPT/src/lr_dav_main.f90\nq-e-qe-7.6/TDDFPT/src/lr_dav_routines.f90\nq-e-qe-7.6/TDDFPT/src/lr_dav_variables.f90\nq-e-qe-7.6/TDDFPT/src/lr_dealloc.f90\nq-e-qe-7.6/TDDFPT/src/lr_dv_setup.f90\nq-e-qe-7.6/TDDFPT/src/lr_dvpsi_e.f90\nq-e-qe-7.6/TDDFPT/src/lr_dvpsi_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_dvpsi_magnons.f90\nq-e-qe-7.6/TDDFPT/src/lr_eels_main.f90\nq-e-qe-7.6/TDDFPT/src/lr_exx_kernel.f90\nq-e-qe-7.6/TDDFPT/src/lr_init_nfo.f90\nq-e-qe-7.6/TDDFPT/src/lr_lanczos.f90\nq-e-qe-7.6/TDDFPT/src/lr_magnons_main.f90\nq-e-qe-7.6/TDDFPT/src/lr_magnons_routines.f90\nq-e-qe-7.6/TDDFPT/src/lr_main.f90\nq-e-qe-7.6/TDDFPT/src/lr_mix_pot.f90\nq-e-qe-7.6/TDDFPT/src/lr_normalise.f90\nq-e-qe-7.6/TDDFPT/src/lr_ortho.f90\nq-e-qe-7.6/TDDFPT/src/lr_psym_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_read_d0psi.f90\nq-e-qe-7.6/TDDFPT/src/lr_read_wf.f90\nq-e-qe-7.6/TDDFPT/src/lr_readin.f90\nq-e-qe-7.6/TDDFPT/src/lr_restart.f90\nq-e-qe-7.6/TDDFPT/src/lr_run_nscf.f90\nq-e-qe-7.6/TDDFPT/src/lr_set_boxes_density.f90\nq-e-qe-7.6/TDDFPT/src/lr_set_intq_nc.f90\nq-e-qe-7.6/TDDFPT/src/lr_setup_nscf.f90\nq-e-qe-7.6/TDDFPT/src/lr_smallgq.f90\nq-e-qe-7.6/TDDFPT/src/lr_solve_e.f90\nq-e-qe-7.6/TDDFPT/src/lr_sternheimer.f90\nq-e-qe-7.6/TDDFPT/src/lr_summary.f90\nq-e-qe-7.6/TDDFPT/src/lr_sym_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_test_restart.f90\nq-e-qe-7.6/TDDFPT/src/lr_transform_intq_nc.f90\nq-e-qe-7.6/TDDFPT/src/lr_transform_intq_so.f90\nq-e-qe-7.6/TDDFPT/src/lr_us.f90\nq-e-qe-7.6/TDDFPT/src/lr_variables.f90\nq-e-qe-7.6/TDDFPT/src/lr_write_restart.f90\nq-e-qe-7.6/TDDFPT/src/paw_add_symmetry.f90\nq-e-qe-7.6/TDDFPT/src/plugin_tddfpt_potential.f90\nq-e-qe-7.6/TDDFPT/src/print_clock_lr.f90\nq-e-qe-7.6/TDDFPT/src/sd0psi.f90\nq-e-qe-7.6/TDDFPT/src/stop_lr.f90\nq-e-qe-7.6/TDDFPT/src/turbo_spectrum.f90\nq-e-qe-7.6/UtilXlib/\nq-e-qe-7.6/UtilXlib/CMakeLists.txt\nq-e-qe-7.6/UtilXlib/Makefile\nq-e-qe-7.6/UtilXlib/Makefile.test\nq-e-qe-7.6/UtilXlib/README.md\nq-e-qe-7.6/UtilXlib/c_mkdir.c\nq-e-qe-7.6/UtilXlib/clib_wrappers.f90\nq-e-qe-7.6/UtilXlib/clocks_handler.f90\nq-e-qe-7.6/UtilXlib/copy.c\nq-e-qe-7.6/UtilXlib/cptimer.c\nq-e-qe-7.6/UtilXlib/data_buffer.f90\nq-e-qe-7.6/UtilXlib/device_helper.f90\nq-e-qe-7.6/UtilXlib/divide.f90\nq-e-qe-7.6/UtilXlib/error_handler.f90\nq-e-qe-7.6/UtilXlib/eval_infix.c\nq-e-qe-7.6/UtilXlib/export_gstart_2_solvers.f90\nq-e-qe-7.6/UtilXlib/find_free_unit.f90\nq-e-qe-7.6/UtilXlib/fletcher32.c\nq-e-qe-7.6/UtilXlib/fletcher32_mod.f90\nq-e-qe-7.6/UtilXlib/hash.f90\nq-e-qe-7.6/UtilXlib/md5.c\nq-e-qe-7.6/UtilXlib/md5.h\nq-e-qe-7.6/UtilXlib/md5_from_file.c\nq-e-qe-7.6/UtilXlib/mem_counter.f90\nq-e-qe-7.6/UtilXlib/memstat.c\nq-e-qe-7.6/UtilXlib/memusage.c\nq-e-qe-7.6/UtilXlib/mp.f90\nq-e-qe-7.6/UtilXlib/mp_bands_util.f90\nq-e-qe-7.6/UtilXlib/mp_base.f90\nq-e-qe-7.6/UtilXlib/mp_base_gpu.f90\nq-e-qe-7.6/UtilXlib/nvtx_wrapper.f90\nq-e-qe-7.6/UtilXlib/parallel_include.f90\nq-e-qe-7.6/UtilXlib/print_mem.f90\nq-e-qe-7.6/UtilXlib/ptrace.c\nq-e-qe-7.6/UtilXlib/set_mpi_comm_4_solvers.f90\nq-e-qe-7.6/UtilXlib/tests/\nq-e-qe-7.6/UtilXlib/tests/Makefile\nq-e-qe-7.6/UtilXlib/tests/README.md\nq-e-qe-7.6/UtilXlib/tests/compile_and_run_tests.sh\nq-e-qe-7.6/UtilXlib/tests/gen_tests.py\nq-e-qe-7.6/UtilXlib/tests/mp_world.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_allgatherv_type_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_alltoall.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_alltoall_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_c4d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_c5d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_c6d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_i1.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_i1_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_i4d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_im.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_im_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_it.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_it_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_iv.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_iv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_iv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_iv_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_lv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_lv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_r4d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_r5d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_rv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_rv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_circular_shift_left_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_count_nodes.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_gather_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_gatherv_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_gatherv_type_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_get_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_iv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_iv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_rv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_rv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_iv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_iv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_rv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_rv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_put_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_root_sum_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_iv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_iv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_rv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_rv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_offload_macros.f90\nq-e-qe-7.6/UtilXlib/tests/tester.f90\nq-e-qe-7.6/UtilXlib/tests/utils.f90\nq-e-qe-7.6/UtilXlib/thread_util.f90\nq-e-qe-7.6/UtilXlib/util_param.f90\nq-e-qe-7.6/XClib/\nq-e-qe-7.6/XClib/CMakeLists.txt\nq-e-qe-7.6/XClib/Ford/\nq-e-qe-7.6/XClib/Ford/Ford.md\nq-e-qe-7.6/XClib/Ford/pagedir/\nq-e-qe-7.6/XClib/Ford/pagedir/index.md\nq-e-qe-7.6/XClib/Makefile\nq-e-qe-7.6/XClib/README.BEEF\nq-e-qe-7.6/XClib/README.TEST\nq-e-qe-7.6/XClib/beefleg.h\nq-e-qe-7.6/XClib/beefun.c\nq-e-qe-7.6/XClib/dft_setting_params.f90\nq-e-qe-7.6/XClib/dft_setting_routines.f90\nq-e-qe-7.6/XClib/pbecor.c\nq-e-qe-7.6/XClib/pbecor.h\nq-e-qe-7.6/XClib/qe_constants.f90\nq-e-qe-7.6/XClib/qe_dft_list.f90\nq-e-qe-7.6/XClib/qe_dft_refs.f90\nq-e-qe-7.6/XClib/qe_drivers_d_gga.f90\nq-e-qe-7.6/XClib/qe_drivers_d_lda_lsda.f90\nq-e-qe-7.6/XClib/qe_drivers_gga.f90\nq-e-qe-7.6/XClib/qe_drivers_lda_lsda.f90\nq-e-qe-7.6/XClib/qe_drivers_mgga.f90\nq-e-qe-7.6/XClib/qe_funct_corr_gga.f90\nq-e-qe-7.6/XClib/qe_funct_corr_lda_lsda.f90\nq-e-qe-7.6/XClib/qe_funct_exch_gga.f90\nq-e-qe-7.6/XClib/qe_funct_exch_lda_lsda.f90\nq-e-qe-7.6/XClib/qe_funct_mgga.f90\nq-e-qe-7.6/XClib/qe_kind.f90\nq-e-qe-7.6/XClib/test_input_files/\nq-e-qe-7.6/XClib/test_input_files/all_shorts.xml\nq-e-qe-7.6/XClib/test_input_files/all_terms.xml\nq-e-qe-7.6/XClib/test_input_files/exe_test.in\nq-e-qe-7.6/XClib/test_input_files/gen_test.in\nq-e-qe-7.6/XClib/test_input_files/test_all_shorts.in\nq-e-qe-7.6/XClib/test_input_files/test_all_terms.in\nq-e-qe-7.6/XClib/xc_beef_interface.f90\nq-e-qe-7.6/XClib/xc_infos.f90\nq-e-qe-7.6/XClib/xc_lib.f90\nq-e-qe-7.6/XClib/xc_wrapper_d_gga.f90\nq-e-qe-7.6/XClib/xc_wrapper_d_lda_lsda.f90\nq-e-qe-7.6/XClib/xc_wrapper_gga.f90\nq-e-qe-7.6/XClib/xc_wrapper_lda_lsda.f90\nq-e-qe-7.6/XClib/xc_wrapper_mgga.f90\nq-e-qe-7.6/XClib/xclib_error.f90\nq-e-qe-7.6/XClib/xclib_test.f90\nq-e-qe-7.6/XClib/xclib_utils_and_para.f90\nq-e-qe-7.6/XSpectra/\nq-e-qe-7.6/XSpectra/CMakeLists.txt\nq-e-qe-7.6/XSpectra/Doc/\nq-e-qe-7.6/XSpectra/Doc/INPUT_MOLECULARNEXAFS\nq-e-qe-7.6/XSpectra/Doc/INPUT_SPECTRA_CORRECTION\nq-e-qe-7.6/XSpectra/Doc/INPUT_SPECTRA_MANIPULATION\nq-e-qe-7.6/XSpectra/Doc/INPUT_XSPECTRA\nq-e-qe-7.6/XSpectra/Makefile\nq-e-qe-7.6/XSpectra/README\nq-e-qe-7.6/XSpectra/examples/\nq-e-qe-7.6/XSpectra/examples/pseudo/\nq-e-qe-7.6/XSpectra/examples/pseudo/C_PBE_TM_2pj.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Ch_PBE_TM_2pj.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Cu_US_PBE_3pj_lowE.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Cu_halfh_US_PBE_3pj.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Ni_PBE_TM_2pj.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/O_PBE_TM.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/O_PBE_USPP.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Si_PBE_USPP.UPF\nq-e-qe-7.6/XSpectra/examples/reference/\nq-e-qe-7.6/XSpectra/examples/reference/C.wfc\nq-e-qe-7.6/XSpectra/examples/reference/Cu.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/Cu.wfc\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh_xspectra.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh_xspectra.out\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh_xspectra_xonlyplot.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xanes_L2.dat\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xanes_L2.sav\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xanes_L2_lplus.dat\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xanes_L2_lplus.sav\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xspectra.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xspectra.out\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xspectra_lplus.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xspectra_lplus.out\nq-e-qe-7.6/XSpectra/examples/reference/Cuhalfh_xanes_L2.dat\nq-e-qe-7.6/XSpectra/examples/reference/Cuhalfh_xanes_L2.sav\nq-e-qe-7.6/XSpectra/examples/reference/Cuhalfh_xanes_L2_xonlyplot.dat\nq-e-qe-7.6/XSpectra/examples/reference/Ni.wfc\nq-e-qe-7.6/XSpectra/examples/reference/NiO.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/NiO.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip.dat\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip.in\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip.out\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip.sav\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip_replot.dat\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip_replot.in\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip_replot.out\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_qua.dat\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_qua.in\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_qua.out\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_qua.sav\nq-e-qe-7.6/XSpectra/examples/reference/Si.wfc\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_c.dat\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_c.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_c.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_c.sav\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_plane.dat\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_plane.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_plane.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_plane.sav\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.sav\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.dat\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.sav\nq-e-qe-7.6/XSpectra/examples/reference/diamond.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/diamond.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra.dat\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra.in\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra.out\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra.sav\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_fermi.in\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_fermi.out\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_replot.dat\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_replot.in\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_replot.out\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra.dat\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra.in\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra.out\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra.sav\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra_fermi.in\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra_fermi.out\nq-e-qe-7.6/XSpectra/examples/run_example_Cu_L23\nq-e-qe-7.6/XSpectra/examples/run_example_NiO\nq-e-qe-7.6/XSpectra/examples/run_example_SiO2_USPP\nq-e-qe-7.6/XSpectra/examples/run_example_diamond\nq-e-qe-7.6/XSpectra/src/\nq-e-qe-7.6/XSpectra/src/Makefile\nq-e-qe-7.6/XSpectra/src/assign_paw_radii_to_species.f90\nq-e-qe-7.6/XSpectra/src/banner_xspectra.f90\nq-e-qe-7.6/XSpectra/src/check_orthogonality_k_epsilon.f90\nq-e-qe-7.6/XSpectra/src/gaunt_mod.f90\nq-e-qe-7.6/XSpectra/src/init_gipaw_1.f90\nq-e-qe-7.6/XSpectra/src/init_gipaw_2.f90\nq-e-qe-7.6/XSpectra/src/io_routines.f90\nq-e-qe-7.6/XSpectra/src/ipoolscatter.f90\nq-e-qe-7.6/XSpectra/src/lanczos.f90\nq-e-qe-7.6/XSpectra/src/lr_sm1_psi.f90\nq-e-qe-7.6/XSpectra/src/molecularnexafs.f90\nq-e-qe-7.6/XSpectra/src/mygetK.f90\nq-e-qe-7.6/XSpectra/src/paw_gipaw.f90\nq-e-qe-7.6/XSpectra/src/plot_xanes_cross_sections.f90\nq-e-qe-7.6/XSpectra/src/radin_mod.f90\nq-e-qe-7.6/XSpectra/src/read_input_and_bcast.f90\nq-e-qe-7.6/XSpectra/src/read_k_points.f90\nq-e-qe-7.6/XSpectra/src/reset_k_points_and_reinit.f90\nq-e-qe-7.6/XSpectra/src/select_nl_init.f90\nq-e-qe-7.6/XSpectra/src/set_xspectra_namelists_defaults.f90\nq-e-qe-7.6/XSpectra/src/spectra_correction.f90\nq-e-qe-7.6/XSpectra/src/stdout_routines.f90\nq-e-qe-7.6/XSpectra/src/xanes_dipole.f90\nq-e-qe-7.6/XSpectra/src/xanes_dipole_general_edge.f90\nq-e-qe-7.6/XSpectra/src/xanes_quadrupole.f90\nq-e-qe-7.6/XSpectra/src/xspectra.f90\nq-e-qe-7.6/XSpectra/src/xspectra_mod.f90\nq-e-qe-7.6/XSpectra/src/xspectra_utils.f90\nq-e-qe-7.6/XSpectra/tools/\nq-e-qe-7.6/XSpectra/tools/upf2plotcore.sh\nq-e-qe-7.6/archive/\nq-e-qe-7.6/archive/.gitignore\nq-e-qe-7.6/archive/README.md\nq-e-qe-7.6/atomic/\nq-e-qe-7.6/atomic/CMakeLists.txt\nq-e-qe-7.6/atomic/Doc/\nq-e-qe-7.6/atomic/Doc/ChangeLog\nq-e-qe-7.6/atomic/Doc/INPUT_LD1.def\nq-e-qe-7.6/atomic/Doc/Makefile\nq-e-qe-7.6/atomic/Doc/pseudo-gen-fig1.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen-fig2.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen-fig3.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen-fig4.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen.tex\nq-e-qe-7.6/atomic/KLI.md\nq-e-qe-7.6/atomic/Makefile\nq-e-qe-7.6/atomic/README\nq-e-qe-7.6/atomic/examples/\nq-e-qe-7.6/atomic/examples/all-electron/\nq-e-qe-7.6/atomic/examples/all-electron/AAREADME\nq-e-qe-7.6/atomic/examples/all-electron/ar.in\nq-e-qe-7.6/atomic/examples/all-electron/c_oep.in\nq-e-qe-7.6/atomic/examples/all-electron/clean.sh\nq-e-qe-7.6/atomic/examples/all-electron/cu.in\nq-e-qe-7.6/atomic/examples/all-electron/cu1.in\nq-e-qe-7.6/atomic/examples/all-electron/f.in\nq-e-qe-7.6/atomic/examples/all-electron/fe.in\nq-e-qe-7.6/atomic/examples/all-electron/h.in\nq-e-qe-7.6/atomic/examples/all-electron/h.oep.in\nq-e-qe-7.6/atomic/examples/all-electron/he.in\nq-e-qe-7.6/atomic/examples/all-electron/he.oep.in\nq-e-qe-7.6/atomic/examples/all-electron/mg.in\nq-e-qe-7.6/atomic/examples/all-electron/ne.kli.in\nq-e-qe-7.6/atomic/examples/all-electron/ne_oep.in\nq-e-qe-7.6/atomic/examples/all-electron/pt.in\nq-e-qe-7.6/atomic/examples/all-electron/reference/\nq-e-qe-7.6/atomic/examples/all-electron/reference/ar.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/c_oep.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/cu.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/cu1.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/f.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/fe.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/h.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/he.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/mg.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/ne_oep.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/pt.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/u.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/u1.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/w.out\nq-e-qe-7.6/atomic/examples/all-electron/test.job\nq-e-qe-7.6/atomic/examples/all-electron/u.in\nq-e-qe-7.6/atomic/examples/all-electron/u1.in\nq-e-qe-7.6/atomic/examples/all-electron/w.in\nq-e-qe-7.6/atomic/examples/make_clean\nq-e-qe-7.6/atomic/examples/paw_examples/\nq-e-qe-7.6/atomic/examples/paw_examples/README\nq-e-qe-7.6/atomic/examples/paw_examples/clean\nq-e-qe-7.6/atomic/examples/paw_examples/input/\nq-e-qe-7.6/atomic/examples/paw_examples/input/Be.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/C.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Cl.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Cu.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/F.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Fe.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Ge.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/H.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Li-1s.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Li.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/N.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Na-2s2p.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/O-lda.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/O.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/P.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Pd.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/S.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Si.in\nq-e-qe-7.6/atomic/examples/paw_examples/oxygen/\nq-e-qe-7.6/atomic/examples/paw_examples/oxygen/gen.in\nq-e-qe-7.6/atomic/examples/paw_examples/oxygen/spin.in\nq-e-qe-7.6/atomic/examples/paw_examples/oxygen/test.in\nq-e-qe-7.6/atomic/examples/paw_examples/plot_dlog\nq-e-qe-7.6/atomic/examples/paw_examples/reference/\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Be-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Be.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/C-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/C.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Cl-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Cl.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Cu-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Cu.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/F-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/F.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Fe-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Fe.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Ge-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Ge.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/H-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/H.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Li-1s-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Li-1s.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Li-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Li.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/N-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/N.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Na-2s2p-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Na-2s2p.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/O-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/O-lda-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/O-lda.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/O.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/P-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/P.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Pd-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Pd.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/S-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/S.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Si-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Si.out\nq-e-qe-7.6/atomic/examples/paw_examples/test\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/AAREADME\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/Si.pz-vbc.UPF\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/clean.sh\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/reference/\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/reference/Si.LDA.0.5.UPF\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/reference/si.lda.0.5.out\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/si.lda.0.5.in\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/test.job\nq-e-qe-7.6/atomic/examples/pseudo-gen/\nq-e-qe-7.6/atomic/examples/pseudo-gen/AAREADME\nq-e-qe-7.6/atomic/examples/pseudo-gen/al.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/as.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/clean.sh\nq-e-qe-7.6/atomic/examples/pseudo-gen/o.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/pt.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/Al.rrkj3\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/Asrel.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/OPBE.RRKJ3\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/Ptrel.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/SiPBE_nc\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/al.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/as.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/o.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/pt.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/si_nc.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/si_nc.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/test.job\nq-e-qe-7.6/atomic/examples/pseudo-test/\nq-e-qe-7.6/atomic/examples/pseudo-test/AAREADME\nq-e-qe-7.6/atomic/examples/pseudo-test/Al.rrkj3\nq-e-qe-7.6/atomic/examples/pseudo-test/Asrel.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-test/Garel.ld1\nq-e-qe-7.6/atomic/examples/pseudo-test/NiUSPBE.RRKJ3\nq-e-qe-7.6/atomic/examples/pseudo-test/OPBE.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-test/RhUSPBEnlcc.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-test/S.gon\nq-e-qe-7.6/atomic/examples/pseudo-test/al.in\nq-e-qe-7.6/atomic/examples/pseudo-test/as.in\nq-e-qe-7.6/atomic/examples/pseudo-test/clean.sh\nq-e-qe-7.6/atomic/examples/pseudo-test/ga.in\nq-e-qe-7.6/atomic/examples/pseudo-test/ni.in\nq-e-qe-7.6/atomic/examples/pseudo-test/o.in\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/al.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/as.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/ga.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/ni.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/o.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/rh.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/s.out\nq-e-qe-7.6/atomic/examples/pseudo-test/rh.in\nq-e-qe-7.6/atomic/examples/pseudo-test/s.in\nq-e-qe-7.6/atomic/examples/pseudo-test/test.job\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/AAREADME\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ar.sla-gl.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ar.sla-noc.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ar.sla-pz.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/clean.sh\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/kr.sla-gl.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/kr.sla-noc.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/kr.sla-pz.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ne.sla-gl.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ne.sla-noc.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ne.sla-pz.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-gl.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-gl.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-noc.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-noc.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-pz.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-pz.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/compare.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-gl.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-gl.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-noc.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-noc.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-pz.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-pz.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-gl.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-gl.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-noc.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-noc.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-pz.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-pz.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/test.job\nq-e-qe-7.6/atomic/pseudo_library/\nq-e-qe-7.6/atomic/pseudo_library/AAAREADME\nq-e-qe-7.6/atomic/pseudo_library/LDA/\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Ag.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Al.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/As.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Au.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/B.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Br.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/C.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Cd.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Cl.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/F.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/H.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Hg.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Ir.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/N.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/O.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/O.rel-pz-rrkjus_h.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Os.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/P.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Pb.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Pd.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Rh.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Ru.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/S.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Sb.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Se.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Si.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/clean\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/make_ps\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Ag.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Al.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/As.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Au.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Au.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/B.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Br.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/C.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Cd.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Cd.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Cl.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/F.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/H.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Hg.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Ir.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/N.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/O.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/O.pz-rrkjus_h.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Os.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/P.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Pb.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Pd.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Rh.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Ru.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/S.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Sb.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Se.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Si.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/clean\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/make_ps\nq-e-qe-7.6/atomic/pseudo_library/PBE/\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Ag.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Al.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/As.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Au.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/B.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Br.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/C.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Cd.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Cl.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/F.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/H.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Hg.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Ir.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/N.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/O.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/O.rel-pbe-rrkjus_h.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Os.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/P.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Pb.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Pd.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Rh.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Ru.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/S.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Sb.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Se.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Si.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/clean\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/make_ps\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Ag.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Al.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/As.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Au.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Au.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/B.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Br.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/C.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Cd.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Cd.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Cl.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/F.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/H.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Hg.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Ir.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Mg.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/N.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/O.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/O.pbe-rrkjus_h.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Os.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/P.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Pb.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Pd.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Rh.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Ru.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/S.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Sb.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Se.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Si.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Sn.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/clean\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/make_ps\nq-e-qe-7.6/atomic/pseudo_library/make_clean\nq-e-qe-7.6/atomic/pseudo_library/make_ps\nq-e-qe-7.6/atomic/src/\nq-e-qe-7.6/atomic/src/Makefile\nq-e-qe-7.6/atomic/src/add_exchange.f90\nq-e-qe-7.6/atomic/src/all_electron.f90\nq-e-qe-7.6/atomic/src/ascheq.f90\nq-e-qe-7.6/atomic/src/ascheqps.f90\nq-e-qe-7.6/atomic/src/ascheqps_drv.f90\nq-e-qe-7.6/atomic/src/atomic_paw.f90\nq-e-qe-7.6/atomic/src/c6_dft.f90\nq-e-qe-7.6/atomic/src/c6_tfvw.f90\nq-e-qe-7.6/atomic/src/calculate_gipaw_orbitals.f90\nq-e-qe-7.6/atomic/src/cfdsol.f90\nq-e-qe-7.6/atomic/src/chargeps.f90\nq-e-qe-7.6/atomic/src/compute_chi.f90\nq-e-qe-7.6/atomic/src/compute_chi_tm.f90\nq-e-qe-7.6/atomic/src/compute_phi.f90\nq-e-qe-7.6/atomic/src/compute_phi_tm.f90\nq-e-qe-7.6/atomic/src/compute_phius.f90\nq-e-qe-7.6/atomic/src/compute_potps.f90\nq-e-qe-7.6/atomic/src/compute_potps_new.f90\nq-e-qe-7.6/atomic/src/compute_q_3bess.f90\nq-e-qe-7.6/atomic/src/compute_relpert.f90\nq-e-qe-7.6/atomic/src/compute_solution.f90\nq-e-qe-7.6/atomic/src/default_conf.f90\nq-e-qe-7.6/atomic/src/descreening.f90\nq-e-qe-7.6/atomic/src/dfx_new.f90\nq-e-qe-7.6/atomic/src/dir_outward.f90\nq-e-qe-7.6/atomic/src/dirsol.f90\nq-e-qe-7.6/atomic/src/dmixp.f90\nq-e-qe-7.6/atomic/src/drho0ofvx.f90\nq-e-qe-7.6/atomic/src/drhoofv.f90\nq-e-qe-7.6/atomic/src/dvex.f90\nq-e-qe-7.6/atomic/src/el_config.f90\nq-e-qe-7.6/atomic/src/elsd.f90\nq-e-qe-7.6/atomic/src/elsd_highv.f90\nq-e-qe-7.6/atomic/src/elsdps.f90\nq-e-qe-7.6/atomic/src/elsdps_paw.f90\nq-e-qe-7.6/atomic/src/esic.f90\nq-e-qe-7.6/atomic/src/export_upf.f90\nq-e-qe-7.6/atomic/src/find_qi.f90\nq-e-qe-7.6/atomic/src/gener_pseudo.f90\nq-e-qe-7.6/atomic/src/grad_log.f90\nq-e-qe-7.6/atomic/src/green.f90\nq-e-qe-7.6/atomic/src/import_upf.f90\nq-e-qe-7.6/atomic/src/int_0_inf_dr.f90\nq-e-qe-7.6/atomic/src/integrate_inward.f90\nq-e-qe-7.6/atomic/src/integrate_outward.f90\nq-e-qe-7.6/atomic/src/intref.f90\nq-e-qe-7.6/atomic/src/inward.f90\nq-e-qe-7.6/atomic/src/kin_e_density.f90\nq-e-qe-7.6/atomic/src/kli.f90\nq-e-qe-7.6/atomic/src/ld1.f90\nq-e-qe-7.6/atomic/src/ld1_readin.f90\nq-e-qe-7.6/atomic/src/ld1_setup.f90\nq-e-qe-7.6/atomic/src/ld1_writeout.f90\nq-e-qe-7.6/atomic/src/ld1inc.f90\nq-e-qe-7.6/atomic/src/lderiv.f90\nq-e-qe-7.6/atomic/src/lderivps.f90\nq-e-qe-7.6/atomic/src/lschps.f90\nq-e-qe-7.6/atomic/src/new_potential.f90\nq-e-qe-7.6/atomic/src/newd_at.f90\nq-e-qe-7.6/atomic/src/nodenum.f90\nq-e-qe-7.6/atomic/src/normalize.f90\nq-e-qe-7.6/atomic/src/occ_spin.f90\nq-e-qe-7.6/atomic/src/outward.f90\nq-e-qe-7.6/atomic/src/parameters.f90\nq-e-qe-7.6/atomic/src/partial_wave_expansion.f90\nq-e-qe-7.6/atomic/src/paw_type.f90\nq-e-qe-7.6/atomic/src/pseudo_q.f90\nq-e-qe-7.6/atomic/src/pseudovloc.f90\nq-e-qe-7.6/atomic/src/read_pseudo_ncpp.f90\nq-e-qe-7.6/atomic/src/read_pseudo_rrkj3.f90\nq-e-qe-7.6/atomic/src/run_lda_half.f90\nq-e-qe-7.6/atomic/src/run_pseudo.f90\nq-e-qe-7.6/atomic/src/run_test.f90\nq-e-qe-7.6/atomic/src/scf.f90\nq-e-qe-7.6/atomic/src/seriebes.f90\nq-e-qe-7.6/atomic/src/set_psi_in.f90\nq-e-qe-7.6/atomic/src/set_rc_rv.f90\nq-e-qe-7.6/atomic/src/set_rho_core.f90\nq-e-qe-7.6/atomic/src/set_sl3.f90\nq-e-qe-7.6/atomic/src/sic_correction.f90\nq-e-qe-7.6/atomic/src/start_potps.f90\nq-e-qe-7.6/atomic/src/start_scheq.f90\nq-e-qe-7.6/atomic/src/starting_potential.f90\nq-e-qe-7.6/atomic/src/test_bessel.f90\nq-e-qe-7.6/atomic/src/trou.f90\nq-e-qe-7.6/atomic/src/utils.f90\nq-e-qe-7.6/atomic/src/v_of_rho_at.f90\nq-e-qe-7.6/atomic/src/vdpack.f90\nq-e-qe-7.6/atomic/src/vext.f90\nq-e-qe-7.6/atomic/src/vpack.f90\nq-e-qe-7.6/atomic/src/vxcgc.f90\nq-e-qe-7.6/atomic/src/write_ae_pseudo.f90\nq-e-qe-7.6/atomic/src/write_cpmd.f90\nq-e-qe-7.6/atomic/src/write_files.f90\nq-e-qe-7.6/atomic/src/write_paw_recon.f90\nq-e-qe-7.6/atomic/src/write_pseudo.f90\nq-e-qe-7.6/atomic/src/write_results.f90\nq-e-qe-7.6/atomic/src/write_resultsps.f90\nq-e-qe-7.6/cmake/\nq-e-qe-7.6/cmake/AddRPATH.cmake\nq-e-qe-7.6/cmake/CMakeGraphVizOptions.cmake\nq-e-qe-7.6/cmake/CrayFortranCompiler.cmake\nq-e-qe-7.6/cmake/DetermineDeviceArchitectures.cmake\nq-e-qe-7.6/cmake/DetermineGPUFeatures.cmake\nq-e-qe-7.6/cmake/FindDeviceXlib.cmake\nq-e-qe-7.6/cmake/FindELPA.cmake\nq-e-qe-7.6/cmake/FindEnviron.cmake\nq-e-qe-7.6/cmake/FindFFTW3.cmake\nq-e-qe-7.6/cmake/FindFoX.cmake\nq-e-qe-7.6/cmake/FindLibxc.cmake\nq-e-qe-7.6/cmake/FindMBD.cmake\nq-e-qe-7.6/cmake/FindSCALAPACK.cmake\nq-e-qe-7.6/cmake/FindVendorFFTW.cmake\nq-e-qe-7.6/cmake/FindWannier90.cmake\nq-e-qe-7.6/cmake/FujitsuFortranCompiler.cmake\nq-e-qe-7.6/cmake/GNUFortranCompiler.cmake\nq-e-qe-7.6/cmake/GitInfo.cmake\nq-e-qe-7.6/cmake/IBMFortranCompiler.cmake\nq-e-qe-7.6/cmake/IntelFortranCompiler.cmake\nq-e-qe-7.6/cmake/LLVMFlangCompiler.cmake\nq-e-qe-7.6/cmake/NVFortranCompiler.cmake\nq-e-qe-7.6/cmake/UseLATEX.cmake\nq-e-qe-7.6/cmake/flags/\nq-e-qe-7.6/cmake/flags/debug.cmake\nq-e-qe-7.6/cmake/flags/native.cmake\nq-e-qe-7.6/cmake/flags/native.pgi.cmake\nq-e-qe-7.6/cmake/qeConfig.cmake.in\nq-e-qe-7.6/cmake/qeHelpers.cmake\nq-e-qe-7.6/cmake/quantum_espresso.pc.in\nq-e-qe-7.6/cmake/unit_test.cmake\nq-e-qe-7.6/configure\nq-e-qe-7.6/dev-tools/\nq-e-qe-7.6/dev-tools/Makefile\nq-e-qe-7.6/dev-tools/README.helpdoc\nq-e-qe-7.6/dev-tools/README.md\nq-e-qe-7.6/dev-tools/callhtml.pl\nq-e-qe-7.6/dev-tools/calltree.pl\nq-e-qe-7.6/dev-tools/check_gui\nq-e-qe-7.6/dev-tools/check_versions.sh\nq-e-qe-7.6/dev-tools/device_props.c\nq-e-qe-7.6/dev-tools/diff_gui_help\nq-e-qe-7.6/dev-tools/exported-cmds.pwtk\nq-e-qe-7.6/dev-tools/gen-emacs-mode\nq-e-qe-7.6/dev-tools/gen-emacs-mode.tcl\nq-e-qe-7.6/dev-tools/get_device_props.py\nq-e-qe-7.6/dev-tools/guihelp.xsl\nq-e-qe-7.6/dev-tools/helpdoc\nq-e-qe-7.6/dev-tools/helpdoc.d/\nq-e-qe-7.6/dev-tools/helpdoc.d/auxil.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/gui.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/guihelp.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/helpdoc.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/modules.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/parseTags.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/readSchema.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/robodoc.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/syntax_txt.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/tclIndex\nq-e-qe-7.6/dev-tools/helpdoc.d/tree.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/txt.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/txt_enter.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/txt_leave.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/validate.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/vocabularies.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/xml.tcl\nq-e-qe-7.6/dev-tools/helpdoc.schema\nq-e-qe-7.6/dev-tools/input_xx.xsl\nq-e-qe-7.6/dev-tools/mem_analyse.py\nq-e-qe-7.6/dev-tools/mem_counter\nq-e-qe-7.6/dev-tools/mem_counter.py\nq-e-qe-7.6/dev-tools/porting/\nq-e-qe-7.6/dev-tools/porting/becmod.json\nq-e-qe-7.6/dev-tools/porting/derived_type_duplicated_module.jf90\nq-e-qe-7.6/dev-tools/porting/duplicated_module.jf90\nq-e-qe-7.6/dev-tools/porting/gen_derived.py\nq-e-qe-7.6/dev-tools/porting/gen_intrinsic.py\nq-e-qe-7.6/dev-tools/porting/regenerate_duplicated_variables.sh\nq-e-qe-7.6/dev-tools/release-checklist.md\nq-e-qe-7.6/dev-tools/src-normal\nq-e-qe-7.6/dev-tools/src-normal.py\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/README.md\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_default_mixed.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_default_nofallback.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_dim_base.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_dim_on_nonreal.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_enum_default.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_index_range.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_missing_dim.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_missing_units.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_required_default.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_units_base.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_units_exponent.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_units_nofallback.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_vocab.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/good.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/good_bare_ref.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/run-tests.sh\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/vocabularies.tcl\nq-e-qe-7.6/dev-tools/update_gui_help\nq-e-qe-7.6/dev-tools/version-update-checklist.md\nq-e-qe-7.6/dft-d3/\nq-e-qe-7.6/dft-d3/CMakeLists.txt\nq-e-qe-7.6/dft-d3/Makefile\nq-e-qe-7.6/dft-d3/README\nq-e-qe-7.6/dft-d3/api.f90\nq-e-qe-7.6/dft-d3/common.f90\nq-e-qe-7.6/dft-d3/core.f90\nq-e-qe-7.6/dft-d3/dftd3_qe.f90\nq-e-qe-7.6/dft-d3/pars.f90\nq-e-qe-7.6/dft-d3/sizes.f90\nq-e-qe-7.6/dft-d3/test_code.f90\nq-e-qe-7.6/environment_variables\nq-e-qe-7.6/external/\nq-e-qe-7.6/external/.gitignore\nq-e-qe-7.6/external/CMakeLists.txt\nq-e-qe-7.6/external/d3q/\nq-e-qe-7.6/external/devxlib/\nq-e-qe-7.6/external/devxlib.cmake\nq-e-qe-7.6/external/environ.cmake\nq-e-qe-7.6/external/fox/\nq-e-qe-7.6/external/fox.cmake\nq-e-qe-7.6/external/initialize_external_repos.sh\nq-e-qe-7.6/external/lapack/\nq-e-qe-7.6/external/mbd/\nq-e-qe-7.6/external/mbd.cmake\nq-e-qe-7.6/external/mbd.make\nq-e-qe-7.6/external/pw2qmcpack/\nq-e-qe-7.6/external/qe-gipaw/\nq-e-qe-7.6/external/submodule_commit_hash_records\nq-e-qe-7.6/external/update_commit_has_records.sh\nq-e-qe-7.6/external/wannier90/\nq-e-qe-7.6/external/wannier90.cmake\nq-e-qe-7.6/include/\nq-e-qe-7.6/include/cpv_device_macros.h\nq-e-qe-7.6/include/defs.h.README\nq-e-qe-7.6/include/qe_version.h\nq-e-qe-7.6/install/\nq-e-qe-7.6/install/README.FX10\nq-e-qe-7.6/install/aclocal.m4\nq-e-qe-7.6/install/addsonpatch.sh\nq-e-qe-7.6/install/addsontool.sh\nq-e-qe-7.6/install/build_fox_with_pgi.sh\nq-e-qe-7.6/install/config.guess\nq-e-qe-7.6/install/config.sub\nq-e-qe-7.6/install/configure.ac\nq-e-qe-7.6/install/configure.msg.in\nq-e-qe-7.6/install/extlibs_makefile\nq-e-qe-7.6/install/includedep.sh\nq-e-qe-7.6/install/install-sh\nq-e-qe-7.6/install/install_utils\nq-e-qe-7.6/install/m4/\nq-e-qe-7.6/install/m4/README\nq-e-qe-7.6/install/m4/ax_check_compile_flag.m4\nq-e-qe-7.6/install/m4/x_ac_qe_aix_dflags.m4\nq-e-qe-7.6/install/m4/x_ac_qe_ar.m4\nq-e-qe-7.6/install/m4/x_ac_qe_arch.m4\nq-e-qe-7.6/install/m4/x_ac_qe_blas.m4\nq-e-qe-7.6/install/m4/x_ac_qe_cc.m4\nq-e-qe-7.6/install/m4/x_ac_qe_cpp.m4\nq-e-qe-7.6/install/m4/x_ac_qe_cuda.m4\nq-e-qe-7.6/install/m4/x_ac_qe_default_env.m4\nq-e-qe-7.6/install/m4/x_ac_qe_elpa.m4\nq-e-qe-7.6/install/m4/x_ac_qe_environ.m4\nq-e-qe-7.6/install/m4/x_ac_qe_f90.m4\nq-e-qe-7.6/install/m4/x_ac_qe_f90rule.m4\nq-e-qe-7.6/install/m4/x_ac_qe_fft.m4\nq-e-qe-7.6/install/m4/x_ac_qe_fox.m4\nq-e-qe-7.6/install/m4/x_ac_qe_git.m4\nq-e-qe-7.6/install/m4/x_ac_qe_gpu.m4\nq-e-qe-7.6/install/m4/x_ac_qe_hdf5.m4\nq-e-qe-7.6/install/m4/x_ac_qe_lapack.m4\nq-e-qe-7.6/install/m4/x_ac_qe_ld.m4\nq-e-qe-7.6/install/m4/x_ac_qe_libxc.m4\nq-e-qe-7.6/install/m4/x_ac_qe_make_tree.m4\nq-e-qe-7.6/install/m4/x_ac_qe_makedeps.m4\nq-e-qe-7.6/install/m4/x_ac_qe_mass.m4\nq-e-qe-7.6/install/m4/x_ac_qe_mpi.m4\nq-e-qe-7.6/install/m4/x_ac_qe_mpif90.m4\nq-e-qe-7.6/install/m4/x_ac_qe_openmp.m4\nq-e-qe-7.6/install/m4/x_ac_qe_openmp_offload.m4\nq-e-qe-7.6/install/m4/x_ac_qe_plugins.m4\nq-e-qe-7.6/install/m4/x_ac_qe_ranlib.m4\nq-e-qe-7.6/install/m4/x_ac_qe_scalapack.m4\nq-e-qe-7.6/install/m4/x_ac_qe_signal.m4\nq-e-qe-7.6/install/m4/x_ac_qe_wget.m4\nq-e-qe-7.6/install/make.inc.in\nq-e-qe-7.6/install/make_lapack.inc.in\nq-e-qe-7.6/install/make_wannier90.inc.in\nq-e-qe-7.6/install/makedeps.sh\nq-e-qe-7.6/install/moduledep.sh\nq-e-qe-7.6/install/namedep.sh\nq-e-qe-7.6/install/oldlibs_makefile\nq-e-qe-7.6/install/plugins_list\nq-e-qe-7.6/install/plugins_makefile\nq-e-qe-7.6/install/refresh-configure.sh\nq-e-qe-7.6/install/tldeps\nq-e-qe-7.6/logo.jpg\nq-e-qe-7.6/pseudo/\nq-e-qe-7.6/pseudo/Au.pz-rrkjus_aewfc.UPF\nq-e-qe-7.6/pseudo/Au_ONCV_PBE_FR_.upf\nq-e-qe-7.6/pseudo/B-PBE.upf\nq-e-qe-7.6/pseudo/C-q4.gth\nq-e-qe-7.6/pseudo/C.UPF\nq-e-qe-7.6/pseudo/C_3.98148.UPF\nq-e-qe-7.6/pseudo/Fe.pz-n-nc.UPF\nq-e-qe-7.6/pseudo/H-q1.gth\nq-e-qe-7.6/pseudo/HUSPBE.RRKJ3\nq-e-qe-7.6/pseudo/H_US.van\nq-e-qe-7.6/pseudo/Mo-PBE.upf\nq-e-qe-7.6/pseudo/N-PBE.upf\nq-e-qe-7.6/pseudo/O-q6.gth\nq-e-qe-7.6/pseudo/O_US.van\nq-e-qe-7.6/pseudo/Rh.pbe-rrkjus_lb.UPF\nq-e-qe-7.6/pseudo/Rhs.pbe-rrkjus_lb.UPF\nq-e-qe-7.6/pseudo/S-PBE.upf\nq-e-qe-7.6/pseudo/Si.bhs\nq-e-qe-7.6/pseudo/Si_r.upf\nq-e-qe-7.6/pseudo/clean_ps\nq-e-qe-7.6/pseudo/pb_s.UPF\nq-e-qe-7.6/test-suite/\nq-e-qe-7.6/test-suite/.gitignore\nq-e-qe-7.6/test-suite/CMakeLists.txt\nq-e-qe-7.6/test-suite/ENVIRONMENT\nq-e-qe-7.6/test-suite/Makefile\nq-e-qe-7.6/test-suite/QEHeat_h2o/\nq-e-qe-7.6/test-suite/QEHeat_h2o/all_currents.in\nq-e-qe-7.6/test-suite/QEHeat_h2o/all_currents_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_h2o/benchmark.out.git.inp=all_currents.in\nq-e-qe-7.6/test-suite/QEHeat_h2o/benchmark.out.git.inp=all_currents_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_h2o/traj/\nq-e-qe-7.6/test-suite/QEHeat_h2o/traj/cp.pos\nq-e-qe-7.6/test-suite/QEHeat_h2o/traj/cp.vel\nq-e-qe-7.6/test-suite/QEHeat_rotation/\nq-e-qe-7.6/test-suite/QEHeat_rotation/all_currents.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/all_currents_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/all_currents_not_rotated.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/all_currents_not_rotated_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_not_rotated.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_not_rotated_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/generate_all_currents.in.sh\nq-e-qe-7.6/test-suite/QEHeat_rotation/inpos\nq-e-qe-7.6/test-suite/QEHeat_rotation/invel\nq-e-qe-7.6/test-suite/QEHeat_rotation/rotate.py\nq-e-qe-7.6/test-suite/QEHeat_rotation/rotate_run.sh\nq-e-qe-7.6/test-suite/QEHeat_rotation/types\nq-e-qe-7.6/test-suite/QEHeat_translation/\nq-e-qe-7.6/test-suite/QEHeat_translation/README\nq-e-qe-7.6/test-suite/QEHeat_translation/benchmark.out.git.inp=input.in\nq-e-qe-7.6/test-suite/QEHeat_translation/benchmark.out.git.inp=input_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_translation/benchmark.out.git.inp=input_ar.in\nq-e-qe-7.6/test-suite/QEHeat_translation/benchmark.out.git.inp=input_ar_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_translation/input.in\nq-e-qe-7.6/test-suite/QEHeat_translation/input_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_translation/input_ar.in\nq-e-qe-7.6/test-suite/QEHeat_translation/input_ar_2pt.in\nq-e-qe-7.6/test-suite/README\nq-e-qe-7.6/test-suite/README_CMake\nq-e-qe-7.6/test-suite/benchmarks/\nq-e-qe-7.6/test-suite/benchmarks/CMakeLists.txt\nq-e-qe-7.6/test-suite/benchmarks/pw/\nq-e-qe-7.6/test-suite/benchmarks/pw/ausurf.in\nq-e-qe-7.6/test-suite/benchmarks/pw/psiwat.in\nq-e-qe-7.6/test-suite/buildbot/\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/README.txt\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/README.txt.libxc\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_Anvf227_para_GPU.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_aocc_flang_openmpi507.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi316-dbg.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404-nimage.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_hdf5.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_libxc.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_openmp.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_serial.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_intel20_openmpi412.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_nvf217_openmpi315.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_nvf217_serial_GPU.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_oneapi_impi.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/master.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/worker.py\nq-e-qe-7.6/test-suite/check_pseudo.sh\nq-e-qe-7.6/test-suite/cp_al_edft/\nq-e-qe-7.6/test-suite/cp_al_edft/Al.in\nq-e-qe-7.6/test-suite/cp_al_edft/Al.uspp.in\nq-e-qe-7.6/test-suite/cp_al_edft/benchmark.out.git.inp=Al.in\nq-e-qe-7.6/test-suite/cp_al_edft/benchmark.out.git.inp=Al.uspp.in\nq-e-qe-7.6/test-suite/cp_cluster/\nq-e-qe-7.6/test-suite/cp_cluster/benchmark.out.git.inp=cluster4.in\nq-e-qe-7.6/test-suite/cp_cluster/benchmark.out.git.inp=cluster6.in\nq-e-qe-7.6/test-suite/cp_cluster/cluster4.in\nq-e-qe-7.6/test-suite/cp_cluster/cluster6.in\nq-e-qe-7.6/test-suite/cp_h2o/\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-1.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-2.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-3.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-4.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-5.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-6.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-7.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-cg.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-1.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-2.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-3.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-4.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-5.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-6.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-7.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-cg.in\nq-e-qe-7.6/test-suite/cp_h2o_exx/\nq-e-qe-7.6/test-suite/cp_h2o_exx/benchmark.out.git.inp=h2o-mt-b3lyp-1.in\nq-e-qe-7.6/test-suite/cp_h2o_exx/benchmark.out.git.inp=h2o-mt-exx_fraction.in\nq-e-qe-7.6/test-suite/cp_h2o_exx/h2o-mt-b3lyp-1.in\nq-e-qe-7.6/test-suite/cp_h2o_exx/h2o-mt-exx_fraction.in\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/benchmark.out.git.inp=nspin1.in\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/benchmark.out.git.inp=nspin2.in\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/nspin1.in\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/nspin2.in\nq-e-qe-7.6/test-suite/cp_h2o_wf/\nq-e-qe-7.6/test-suite/cp_h2o_wf/README\nq-e-qe-7.6/test-suite/cp_h2o_wf/benchmark.out.git.inp=h2o-nspin1.in\nq-e-qe-7.6/test-suite/cp_h2o_wf/benchmark.out.git.inp=h2o-nspin2.in\nq-e-qe-7.6/test-suite/cp_h2o_wf/h2o-nspin1.in\nq-e-qe-7.6/test-suite/cp_h2o_wf/h2o-nspin2.in\nq-e-qe-7.6/test-suite/cp_o2/\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-1.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-2.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-3.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-4.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-5.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-6.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-1.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-2.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-3.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-4.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-5.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-6.in\nq-e-qe-7.6/test-suite/cp_si/\nq-e-qe-7.6/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-1.in\nq-e-qe-7.6/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-2.in\nq-e-qe-7.6/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-3.in\nq-e-qe-7.6/test-suite/cp_si/si-vbc-lda-1.in\nq-e-qe-7.6/test-suite/cp_si/si-vbc-lda-2.in\nq-e-qe-7.6/test-suite/cp_si/si-vbc-lda-3.in\nq-e-qe-7.6/test-suite/cp_sio2/\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-1.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-2.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-3.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-4.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-cg.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-1.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-2.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-cg.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-1.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-2.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-3.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-4.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-cg.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-pbe-1.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-pbe-2.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-pbe-cg.in\nq-e-qe-7.6/test-suite/ctest_runner.sh\nq-e-qe-7.6/test-suite/epw_2D/\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw3.in.args=10\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw5.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw6.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw8.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=scf.in.args=0\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=scf_epw.in.args=0\nq-e-qe-7.6/test-suite/epw_2D/epw1.in\nq-e-qe-7.6/test-suite/epw_2D/epw2.in\nq-e-qe-7.6/test-suite/epw_2D/epw3.in\nq-e-qe-7.6/test-suite/epw_2D/epw4.in\nq-e-qe-7.6/test-suite/epw_2D/epw5.in\nq-e-qe-7.6/test-suite/epw_2D/epw6.in\nq-e-qe-7.6/test-suite/epw_2D/epw7.in\nq-e-qe-7.6/test-suite/epw_2D/epw8.in\nq-e-qe-7.6/test-suite/epw_2D/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_2D/ph.in\nq-e-qe-7.6/test-suite/epw_2D/pp.in\nq-e-qe-7.6/test-suite/epw_2D/quadrupole.fmt\nq-e-qe-7.6/test-suite/epw_2D/scf.in\nq-e-qe-7.6/test-suite/epw_2D/scf_epw.in\nq-e-qe-7.6/test-suite/epw_base/\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw10.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw11.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw12.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw13.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw9.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_base/epw.in\nq-e-qe-7.6/test-suite/epw_base/epw1.in\nq-e-qe-7.6/test-suite/epw_base/epw10.in\nq-e-qe-7.6/test-suite/epw_base/epw11.in\nq-e-qe-7.6/test-suite/epw_base/epw12.in\nq-e-qe-7.6/test-suite/epw_base/epw13.in\nq-e-qe-7.6/test-suite/epw_base/epw2.in\nq-e-qe-7.6/test-suite/epw_base/epw3.in\nq-e-qe-7.6/test-suite/epw_base/epw4.in\nq-e-qe-7.6/test-suite/epw_base/epw5.in\nq-e-qe-7.6/test-suite/epw_base/epw6.in\nq-e-qe-7.6/test-suite/epw_base/epw9.in\nq-e-qe-7.6/test-suite/epw_base/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_base/path.dat\nq-e-qe-7.6/test-suite/epw_base/ph.in\nq-e-qe-7.6/test-suite/epw_base/pp.in\nq-e-qe-7.6/test-suite/epw_base/scf.in\nq-e-qe-7.6/test-suite/epw_base/scf_epw.in\nq-e-qe-7.6/test-suite/epw_hall/\nq-e-qe-7.6/test-suite/epw_hall/LGXKG4.txt\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw5.in.args=5\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=scf.in.args=0\nq-e-qe-7.6/test-suite/epw_hall/epw1.in\nq-e-qe-7.6/test-suite/epw_hall/epw2.in\nq-e-qe-7.6/test-suite/epw_hall/epw3.in\nq-e-qe-7.6/test-suite/epw_hall/epw4.in\nq-e-qe-7.6/test-suite/epw_hall/epw5.in\nq-e-qe-7.6/test-suite/epw_hall/nscf.in\nq-e-qe-7.6/test-suite/epw_hall/ph.in\nq-e-qe-7.6/test-suite/epw_hall/pp.in\nq-e-qe-7.6/test-suite/epw_hall/quadrupole.fmt\nq-e-qe-7.6/test-suite/epw_hall/scf.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw1_dn.in.args=3\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw1_up.in.args=3\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw2_dn.in.args=3\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw2_up.in.args=3\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw3_dn.in.args=5\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw3_up.in.args=5\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw1_dn.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw1_up.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw2_dn.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw2_up.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw3_dn.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw3_up.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/nscf.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/ph.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/pp.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/scf.in\nq-e-qe-7.6/test-suite/epw_metal/\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw1_dn.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw1_up.in.args=5\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw2_dn.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw2_up.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw3_dn.in.args=5\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw3_up.in.args=5\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw5.in.args=10\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw6.in.args=11\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=nscf_epw_lsda.in.args=1\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=scf_epw_lsda.in.args=1\nq-e-qe-7.6/test-suite/epw_metal/epw1.in\nq-e-qe-7.6/test-suite/epw_metal/epw1_dn.in\nq-e-qe-7.6/test-suite/epw_metal/epw1_up.in\nq-e-qe-7.6/test-suite/epw_metal/epw2.in\nq-e-qe-7.6/test-suite/epw_metal/epw2_dn.in\nq-e-qe-7.6/test-suite/epw_metal/epw2_up.in\nq-e-qe-7.6/test-suite/epw_metal/epw3.in\nq-e-qe-7.6/test-suite/epw_metal/epw3_dn.in\nq-e-qe-7.6/test-suite/epw_metal/epw3_up.in\nq-e-qe-7.6/test-suite/epw_metal/epw4.in\nq-e-qe-7.6/test-suite/epw_metal/epw5.in\nq-e-qe-7.6/test-suite/epw_metal/epw6.in\nq-e-qe-7.6/test-suite/epw_metal/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_metal/nscf_epw_lsda.in\nq-e-qe-7.6/test-suite/epw_metal/ph.in\nq-e-qe-7.6/test-suite/epw_metal/pp.in\nq-e-qe-7.6/test-suite/epw_metal/save/\nq-e-qe-7.6/test-suite/epw_metal/save/ifc.q2r\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dvscf_q1\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dvscf_q2\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dvscf_q3\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dvscf_q4\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dyn_q1\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dyn_q2\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dyn_q3\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dyn_q4\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/control_ph.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/patterns.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/patterns.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/patterns.3.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/patterns.4.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/status_run.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/ifc.q2r\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dvscf_q1\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dvscf_q2\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dvscf_q3\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dvscf_q4\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dyn_q1\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dyn_q2\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dyn_q3\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dyn_q4\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/control_ph.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/patterns.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/patterns.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/patterns.3.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/patterns.4.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/status_run.xml\nq-e-qe-7.6/test-suite/epw_metal/scf.in\nq-e-qe-7.6/test-suite/epw_metal/scf_epw.in\nq-e-qe-7.6/test-suite/epw_metal/scf_epw_lsda.in\nq-e-qe-7.6/test-suite/epw_metal/scf_lsda.in\nq-e-qe-7.6/test-suite/epw_mob/\nq-e-qe-7.6/test-suite/epw_mob/LGX.txt\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob/epw1.in\nq-e-qe-7.6/test-suite/epw_mob/epw2.in\nq-e-qe-7.6/test-suite/epw_mob/epw3.in\nq-e-qe-7.6/test-suite/epw_mob/epw4.in\nq-e-qe-7.6/test-suite/epw_mob/epw5.in\nq-e-qe-7.6/test-suite/epw_mob/epw6.in\nq-e-qe-7.6/test-suite/epw_mob/kpt.txt\nq-e-qe-7.6/test-suite/epw_mob/nscf.in\nq-e-qe-7.6/test-suite/epw_mob/ph.in\nq-e-qe-7.6/test-suite/epw_mob/pp.in\nq-e-qe-7.6/test-suite/epw_mob/pp.py\nq-e-qe-7.6/test-suite/epw_mob/q2r.in\nq-e-qe-7.6/test-suite/epw_mob/scf.in\nq-e-qe-7.6/test-suite/epw_mob/si.eig\nq-e-qe-7.6/test-suite/epw_mob_U/\nq-e-qe-7.6/test-suite/epw_mob_U/LGX.dat\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_U/epw1.in\nq-e-qe-7.6/test-suite/epw_mob_U/epw2.in\nq-e-qe-7.6/test-suite/epw_mob_U/epw3.in\nq-e-qe-7.6/test-suite/epw_mob_U/epw4.in\nq-e-qe-7.6/test-suite/epw_mob_U/nscf.in\nq-e-qe-7.6/test-suite/epw_mob_U/ph.in\nq-e-qe-7.6/test-suite/epw_mob_U/pp.in\nq-e-qe-7.6/test-suite/epw_mob_U/scf.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/\nq-e-qe-7.6/test-suite/epw_mob_ibte/LGX.txt\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_ibte/epw1.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/epw2.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/epw3.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/nscf.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/ph.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/pp.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/q2r.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/scf.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/LGX.txt\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw6.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw8.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw9.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw1.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw2.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw3.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw4.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw5.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw6.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw7.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw8.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw9.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/nscf.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/ph.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/pp.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/q2r.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/scf.in\nq-e-qe-7.6/test-suite/epw_mob_polar/\nq-e-qe-7.6/test-suite/epw_mob_polar/Ga-LDA.upf\nq-e-qe-7.6/test-suite/epw_mob_polar/MGA.txt\nq-e-qe-7.6/test-suite/epw_mob_polar/N-LDA.upf\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_polar/epw1.in\nq-e-qe-7.6/test-suite/epw_mob_polar/epw2.in\nq-e-qe-7.6/test-suite/epw_mob_polar/epw3.in\nq-e-qe-7.6/test-suite/epw_mob_polar/nscf.in\nq-e-qe-7.6/test-suite/epw_mob_polar/ph.in\nq-e-qe-7.6/test-suite/epw_mob_polar/pp.in\nq-e-qe-7.6/test-suite/epw_mob_polar/scf.in\nq-e-qe-7.6/test-suite/epw_pl/\nq-e-qe-7.6/test-suite/epw_pl/LGX.txt\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_pl/epw1.in\nq-e-qe-7.6/test-suite/epw_pl/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_pl/ph.in\nq-e-qe-7.6/test-suite/epw_pl/pp.in\nq-e-qe-7.6/test-suite/epw_pl/qgrid.txt\nq-e-qe-7.6/test-suite/epw_pl/scf.in\nq-e-qe-7.6/test-suite/epw_pl/scf_epw.in\nq-e-qe-7.6/test-suite/epw_plrn/\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_plrn/epw1.in\nq-e-qe-7.6/test-suite/epw_plrn/epw2.in\nq-e-qe-7.6/test-suite/epw_plrn/nscf.in\nq-e-qe-7.6/test-suite/epw_plrn/ph.in\nq-e-qe-7.6/test-suite/epw_plrn/pp.in\nq-e-qe-7.6/test-suite/epw_plrn/scf.in\nq-e-qe-7.6/test-suite/epw_polar/\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_polar/epw1.in\nq-e-qe-7.6/test-suite/epw_polar/epw3.in\nq-e-qe-7.6/test-suite/epw_polar/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_polar/ph.in\nq-e-qe-7.6/test-suite/epw_polar/pp.in\nq-e-qe-7.6/test-suite/epw_polar/scf.in\nq-e-qe-7.6/test-suite/epw_polar/scf_epw.in\nq-e-qe-7.6/test-suite/epw_qdpt/\nq-e-qe-7.6/test-suite/epw_qdpt/LGX.txt\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_qdpt/epw1.in\nq-e-qe-7.6/test-suite/epw_qdpt/epw2.in\nq-e-qe-7.6/test-suite/epw_qdpt/epw2_no_elpa.in\nq-e-qe-7.6/test-suite/epw_qdpt/nscf.in\nq-e-qe-7.6/test-suite/epw_qdpt/ph.in\nq-e-qe-7.6/test-suite/epw_qdpt/pp.in\nq-e-qe-7.6/test-suite/epw_qdpt/pp.py\nq-e-qe-7.6/test-suite/epw_qdpt/q2r.in\nq-e-qe-7.6/test-suite/epw_qdpt/scf.in\nq-e-qe-7.6/test-suite/epw_soc/\nq-e-qe-7.6/test-suite/epw_soc/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_soc/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_soc/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_soc/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_soc/epw1.in\nq-e-qe-7.6/test-suite/epw_soc/epw2.in\nq-e-qe-7.6/test-suite/epw_soc/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_soc/ph.in\nq-e-qe-7.6/test-suite/epw_soc/pp.in\nq-e-qe-7.6/test-suite/epw_soc/save/\nq-e-qe-7.6/test-suite/epw_soc/save/ifc.q2r.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dvscf_q1\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dvscf_q2\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dvscf_q3\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dvscf_q4\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dyn_q1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dyn_q2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dyn_q3.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dyn_q4.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/control_ph.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/patterns.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/patterns.2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/patterns.3.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/patterns.4.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/status_run.xml\nq-e-qe-7.6/test-suite/epw_soc/scf.in\nq-e-qe-7.6/test-suite/epw_soc/scf_epw.in\nq-e-qe-7.6/test-suite/epw_super/\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw8.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=nscf2supercond.in.args=9\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=nscf_outerbands.in.args=1\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_super/epw1.in\nq-e-qe-7.6/test-suite/epw_super/epw2.in\nq-e-qe-7.6/test-suite/epw_super/epw3.in\nq-e-qe-7.6/test-suite/epw_super/epw4.in\nq-e-qe-7.6/test-suite/epw_super/epw5.in\nq-e-qe-7.6/test-suite/epw_super/epw6.in\nq-e-qe-7.6/test-suite/epw_super/epw7.in\nq-e-qe-7.6/test-suite/epw_super/epw8.in\nq-e-qe-7.6/test-suite/epw_super/nscf2supercond.in\nq-e-qe-7.6/test-suite/epw_super/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_super/nscf_outerbands.in\nq-e-qe-7.6/test-suite/epw_super/ph.in\nq-e-qe-7.6/test-suite/epw_super/pp.in\nq-e-qe-7.6/test-suite/epw_super/scf.in\nq-e-qe-7.6/test-suite/epw_super/scf_epw.in\nq-e-qe-7.6/test-suite/epw_tdbe/\nq-e-qe-7.6/test-suite/epw_tdbe/LGX.txt\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_tdbe/epw1.in\nq-e-qe-7.6/test-suite/epw_tdbe/epw2.in\nq-e-qe-7.6/test-suite/epw_tdbe/epw3.in\nq-e-qe-7.6/test-suite/epw_tdbe/nscf.in\nq-e-qe-7.6/test-suite/epw_tdbe/ph.in\nq-e-qe-7.6/test-suite/epw_tdbe/pp.in\nq-e-qe-7.6/test-suite/epw_tdbe/scf.in\nq-e-qe-7.6/test-suite/epw_trev/\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_trev/epw1.in\nq-e-qe-7.6/test-suite/epw_trev/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_trev/ph.in\nq-e-qe-7.6/test-suite/epw_trev/pp.in\nq-e-qe-7.6/test-suite/epw_trev/scf.in\nq-e-qe-7.6/test-suite/epw_trev/scf_epw.in\nq-e-qe-7.6/test-suite/epw_trev_paw/\nq-e-qe-7.6/test-suite/epw_trev_paw/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_trev_paw/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev_paw/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_trev_paw/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev_paw/epw1.in\nq-e-qe-7.6/test-suite/epw_trev_paw/nscf.in\nq-e-qe-7.6/test-suite/epw_trev_paw/path.dat\nq-e-qe-7.6/test-suite/epw_trev_paw/pathq.dat\nq-e-qe-7.6/test-suite/epw_trev_paw/ph.in\nq-e-qe-7.6/test-suite/epw_trev_paw/pp.in\nq-e-qe-7.6/test-suite/epw_trev_paw/scf.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/\nq-e-qe-7.6/test-suite/epw_trev_uspp/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_trev_uspp/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev_uspp/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_trev_uspp/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev_uspp/epw1.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/nscf.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/path.dat\nq-e-qe-7.6/test-suite/epw_trev_uspp/pathq.dat\nq-e-qe-7.6/test-suite/epw_trev_uspp/ph.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/pp.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/scf.in\nq-e-qe-7.6/test-suite/epw_wfpt/\nq-e-qe-7.6/test-suite/epw_wfpt/.gitignore\nq-e-qe-7.6/test-suite/epw_wfpt/README.md\nq-e-qe-7.6/test-suite/epw_wfpt/ahc1.in\nq-e-qe-7.6/test-suite/epw_wfpt/ahc2.in\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=ahc1.in.args=7\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=ahc2.in.args=7\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw11.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw12.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw21.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw22.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw23.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=matdyn.in.args=6\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=nscf1.in.args=1\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=nscf2.in.args=1\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_wfpt/epw11.in\nq-e-qe-7.6/test-suite/epw_wfpt/epw12.in\nq-e-qe-7.6/test-suite/epw_wfpt/epw21.in\nq-e-qe-7.6/test-suite/epw_wfpt/epw22.in\nq-e-qe-7.6/test-suite/epw_wfpt/epw23.in\nq-e-qe-7.6/test-suite/epw_wfpt/kpath.GammaX.txt\nq-e-qe-7.6/test-suite/epw_wfpt/matdyn.in\nq-e-qe-7.6/test-suite/epw_wfpt/nscf1.in\nq-e-qe-7.6/test-suite/epw_wfpt/nscf2.in\nq-e-qe-7.6/test-suite/epw_wfpt/ph.in\nq-e-qe-7.6/test-suite/epw_wfpt/postahc1.in\nq-e-qe-7.6/test-suite/epw_wfpt/postahc2.in\nq-e-qe-7.6/test-suite/epw_wfpt/pp.in\nq-e-qe-7.6/test-suite/epw_wfpt/q2r.in\nq-e-qe-7.6/test-suite/epw_wfpt/scf.in\nq-e-qe-7.6/test-suite/extract-all_currents.sh\nq-e-qe-7.6/test-suite/extract-cp.sh\nq-e-qe-7.6/test-suite/extract-epw.sh\nq-e-qe-7.6/test-suite/extract-hp.sh\nq-e-qe-7.6/test-suite/extract-image.sh\nq-e-qe-7.6/test-suite/extract-kcw.sh\nq-e-qe-7.6/test-suite/extract-oscdft-pp.sh\nq-e-qe-7.6/test-suite/extract-ph.sh\nq-e-qe-7.6/test-suite/extract-pioud.sh\nq-e-qe-7.6/test-suite/extract-pp.sh\nq-e-qe-7.6/test-suite/extract-pw.sh\nq-e-qe-7.6/test-suite/extract-tddfpt.sh\nq-e-qe-7.6/test-suite/extract-zg.sh\nq-e-qe-7.6/test-suite/gpu-resource-example.json\nq-e-qe-7.6/test-suite/hp_insulator_paw/\nq-e-qe-7.6/test-suite/hp_insulator_paw/BN.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_paw/BN.scf.in\nq-e-qe-7.6/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/CrI3.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/CrI3.scf.1.in\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/CrI3.scf.2.in\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.scf.1.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.scf.2.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us/\nq-e-qe-7.6/test-suite/hp_insulator_us/LiCoO2.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_us/LiCoO2.scf.in\nq-e-qe-7.6/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/LiCoO2.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/LiCoO2.scf.in\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/NiO.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/NiO.scf.1.in\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/NiO.scf.2.in\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=2\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=2\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/Fe.hp.in\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/Fe.scf.in\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/benchmark.out.git.inp=Fe.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/benchmark.out.git.inp=Fe.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/LiNiO2.hp.in\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/LiNiO2.scf.in\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/benchmark.out.git.inp=LiNiO2.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/benchmark.out.git.inp=LiNiO2.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_metal_us_magn/\nq-e-qe-7.6/test-suite/hp_metal_us_magn/Ni.hp.in\nq-e-qe-7.6/test-suite/hp_metal_us_magn/Ni.scf.in\nq-e-qe-7.6/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/bn.hp.in\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/bn.scf.in\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/au.hp.in\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/au.scf.in\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/bn.hp.in\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/bn.scf.in\nq-e-qe-7.6/test-suite/image_para/\nq-e-qe-7.6/test-suite/image_para/benchmark.out.git.inp=si.ph.in.args=2\nq-e-qe-7.6/test-suite/image_para/benchmark.out.git.inp=si.scf.in.args=1\nq-e-qe-7.6/test-suite/image_para/si.ph.in\nq-e-qe-7.6/test-suite/image_para/si.scf.in\nq-e-qe-7.6/test-suite/jobconfig\nq-e-qe-7.6/test-suite/kcw_ks/\nq-e-qe-7.6/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-ham.in.args=7\nq-e-qe-7.6/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-screen.in.args=16\nq-e-qe-7.6/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-wann2kcw.in.args=15\nq-e-qe-7.6/test-suite/kcw_ks/benchmark.out.git.inp=h2o.scf.in.args=1\nq-e-qe-7.6/test-suite/kcw_ks/h2o.kcw-ham.in\nq-e-qe-7.6/test-suite/kcw_ks/h2o.kcw-screen.in\nq-e-qe-7.6/test-suite/kcw_ks/h2o.kcw-wann2kcw.in\nq-e-qe-7.6/test-suite/kcw_ks/h2o.scf.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.kcw-ham.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.kcw-screen.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.kcw-wann2kcw.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.pw2wann.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.scf.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.win\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-ham.in.args=7\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-screen.in.args=6\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-wann2kcw.in.args=5\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.pw2wann.in.args=3\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.scf.in.args=1\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.win.args=2\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.win.args=4\nq-e-qe-7.6/test-suite/kcw_wann/\nq-e-qe-7.6/test-suite/kcw_wann/Si.kcw-ham.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.kcw-screen.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.kcw-wann2kcw.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.pw2wann.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.scf.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.win\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-ham.in.args=7\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-screen.in.args=6\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-wann2kcw.in.args=5\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.pw2wann.in.args=3\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.scf.in.args=1\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.win.args=2\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.win.args=4\nq-e-qe-7.6/test-suite/kcw_wann_sym/\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.kcw-ham.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.kcw-screen.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.kcw-wann2kcw.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.pw2wann.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.scf.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.win\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-ham.in.args=7\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-screen.in.args=6\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-wann2kcw.in.args=5\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.pw2wann.in.args=3\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.scf.in.args=1\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.win.args=2\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.win.args=4\nq-e-qe-7.6/test-suite/noexe/\nq-e-qe-7.6/test-suite/noexe/benchmark.out.git.inp=langevin.in\nq-e-qe-7.6/test-suite/noexe/benchmark.out.git.inp=langevin_smc.in\nq-e-qe-7.6/test-suite/noexe/benchmark.out.git.inp=md_verlet_wall.in\nq-e-qe-7.6/test-suite/noexe/langevin.in\nq-e-qe-7.6/test-suite/noexe/langevin_smc.in\nq-e-qe-7.6/test-suite/noexe/md_verlet_wall.in\nq-e-qe-7.6/test-suite/not_epw_comp/\nq-e-qe-7.6/test-suite/not_epw_comp/epw1.in\nq-e-qe-7.6/test-suite/not_epw_comp/grid.py\nq-e-qe-7.6/test-suite/not_epw_comp/nscf_epw.in\nq-e-qe-7.6/test-suite/not_epw_comp/ph.in\nq-e-qe-7.6/test-suite/not_epw_comp/ph_epw.in\nq-e-qe-7.6/test-suite/not_epw_comp/scf.in\nq-e-qe-7.6/test-suite/not_epw_comp/scf_epw.in\nq-e-qe-7.6/test-suite/not_epw_scdm/\nq-e-qe-7.6/test-suite/not_epw_scdm/LGX.txt\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/not_epw_scdm/epw1.in\nq-e-qe-7.6/test-suite/not_epw_scdm/epw2.in\nq-e-qe-7.6/test-suite/not_epw_scdm/epw3.in\nq-e-qe-7.6/test-suite/not_epw_scdm/nscf.in\nq-e-qe-7.6/test-suite/not_epw_scdm/ph.in\nq-e-qe-7.6/test-suite/not_epw_scdm/pp.in\nq-e-qe-7.6/test-suite/not_epw_scdm/scf.in\nq-e-qe-7.6/test-suite/oscdft_pp/\nq-e-qe-7.6/test-suite/oscdft_pp/benchmark.out.git.inp=normalize.in.args=3_normalize.oscdft.in_pw.in\nq-e-qe-7.6/test-suite/oscdft_pp/benchmark.out.git.inp=view.in.args=3_view.oscdft.in_pw.in\nq-e-qe-7.6/test-suite/oscdft_pp/normalize.in\nq-e-qe-7.6/test-suite/oscdft_pp/normalize.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pp/pw.in\nq-e-qe-7.6/test-suite/oscdft_pp/view.in\nq-e-qe-7.6/test-suite/oscdft_pp/view.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=k.in.args=2_k.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=nooscdft.in.args=1\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=normcons.in.args=2_normcons.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=relax.in.args=2_scf.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=scf.in.args=2_scf.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=view.in.args=2_view.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/k.in\nq-e-qe-7.6/test-suite/oscdft_pw/k.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/nooscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/normcons.in\nq-e-qe-7.6/test-suite/oscdft_pw/normcons.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/relax.in\nq-e-qe-7.6/test-suite/oscdft_pw/scf.in\nq-e-qe-7.6/test-suite/oscdft_pw/scf.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/view.in\nq-e-qe-7.6/test-suite/oscdft_pw/view.oscdft.in\nq-e-qe-7.6/test-suite/ph_1d/\nq-e-qe-7.6/test-suite/ph_1d/benchmark.out.git.inp=ch4.dynmat.in.args=9\nq-e-qe-7.6/test-suite/ph_1d/benchmark.out.git.inp=ch4.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_1d/benchmark.out.git.inp=ch4.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_1d/ch4.dynmat.in\nq-e-qe-7.6/test-suite/ph_1d/ch4.ph.in\nq-e-qe-7.6/test-suite/ph_1d/ch4.scf.in\nq-e-qe-7.6/test-suite/ph_2d/\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=matdyn1.in.args=8\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=matdyn2.in.args=8\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=q2r1.in.args=3\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=q2r2.in.args=3\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/ph_2d/matdyn1.in\nq-e-qe-7.6/test-suite/ph_2d/matdyn2.in\nq-e-qe-7.6/test-suite/ph_2d/ph.in\nq-e-qe-7.6/test-suite/ph_2d/q2r1.in\nq-e-qe-7.6/test-suite/ph_2d/q2r2.in\nq-e-qe-7.6/test-suite/ph_2d/scf.in\nq-e-qe-7.6/test-suite/ph_2d_metal/\nq-e-qe-7.6/test-suite/ph_2d_metal/benchmark.out.git.inp=phG.in.args=2\nq-e-qe-7.6/test-suite/ph_2d_metal/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/ph_2d_metal/phG.in\nq-e-qe-7.6/test-suite/ph_2d_metal/scf.in\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/Ni.ph.in\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/Ni.scf.in\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/benchmark.out.git.inp=Ni.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/BN.phG.in\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/BN.phq.in\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/BN.scf.in\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.phq.in.args=2\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_U_insulator_us/\nq-e-qe-7.6/test-suite/ph_U_insulator_us/BN.phG.in\nq-e-qe-7.6/test-suite/ph_U_insulator_us/BN.phq.in\nq-e-qe-7.6/test-suite/ph_U_insulator_us/BN.scf.in\nq-e-qe-7.6/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.phq.in.args=2\nq-e-qe-7.6/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_U_metal_paw/\nq-e-qe-7.6/test-suite/ph_U_metal_paw/Ni.phq.in\nq-e-qe-7.6/test-suite/ph_U_metal_paw/Ni.scf.in\nq-e-qe-7.6/test-suite/ph_U_metal_paw/benchmark.out.git.inp=Ni.phq.in.args=2\nq-e-qe-7.6/test-suite/ph_U_metal_paw/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_U_metal_us/\nq-e-qe-7.6/test-suite/ph_U_metal_us/Fe.ph.in\nq-e-qe-7.6/test-suite/ph_U_metal_us/Fe.scf.in\nq-e-qe-7.6/test-suite/ph_U_metal_us/benchmark.out.git.inp=Fe.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_U_metal_us/benchmark.out.git.inp=Fe.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_bas/\nq-e-qe-7.6/test-suite/ph_ahc_bas/.gitignore\nq-e-qe-7.6/test-suite/ph_ahc_bas/ahc1.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/ahc2.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc.in.args=2\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc1.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc2.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=dvscfq2r.in.args=6\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=matdyn1.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=matdyn2.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=postahc1.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=postahc2.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=q2r.in.args=3\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_bas/dvscfq2r.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/matdyn1.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/matdyn2.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/nscf.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/ph.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/postahc1.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/postahc2.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/q2r.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/scf.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/\nq-e-qe-7.6/test-suite/ph_ahc_diam/.gitignore\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc1.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc2.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc3.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.dvscfq2r.doneutral.in.args=6\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.dvscfq2r.in.args=6\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn1.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn2.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn3.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.nscf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.nscf.nosym.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc1.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc2.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc3.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.q2r.in.args=3\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.ahc1.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.ahc2.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.ahc3.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.dvscfq2r.doneutral.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.dvscfq2r.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.matdyn1.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.matdyn2.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.matdyn3.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.nscf.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.nscf.nosym.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.ph.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.postahc1.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.postahc2.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.postahc3.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.q2r.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.scf.in\nq-e-qe-7.6/test-suite/ph_base/\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=c.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=c.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=ni.phX.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=ni.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=nipaw.phX.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=nipaw.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=si.ph.in.args=8\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=si.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=si.phX.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=si.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_base/c.phG.in\nq-e-qe-7.6/test-suite/ph_base/c.scf.in\nq-e-qe-7.6/test-suite/ph_base/ni.phX.in\nq-e-qe-7.6/test-suite/ph_base/ni.scf.in\nq-e-qe-7.6/test-suite/ph_base/nipaw.phX.in\nq-e-qe-7.6/test-suite/ph_base/nipaw.scf.in\nq-e-qe-7.6/test-suite/ph_base/si.phG.in\nq-e-qe-7.6/test-suite/ph_base/si.phX.in\nq-e-qe-7.6/test-suite/ph_base/si.scf.in\nq-e-qe-7.6/test-suite/ph_diag_direct/\nq-e-qe-7.6/test-suite/ph_diag_direct/benchmark.out.git.inp=ph-davidson.in.args=2\nq-e-qe-7.6/test-suite/ph_diag_direct/benchmark.out.git.inp=ph-direct.in.args=2\nq-e-qe-7.6/test-suite/ph_diag_direct/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/ph_diag_direct/ph-davidson.in\nq-e-qe-7.6/test-suite/ph_diag_direct/ph-direct.in\nq-e-qe-7.6/test-suite/ph_diag_direct/scf.in\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/O2.phG.in\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/O2.scf.1.in\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/O2.scf.2.in\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.scf.1.in.args=1\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.scf.2.in.args=1\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/NiO.phG.in\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/NiO.scf.1.in\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/NiO.scf.2.in\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=1\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=1\nq-e-qe-7.6/test-suite/ph_interpol_metal/\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.dvscfq2r.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.elph.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.elph.interpol.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.ph.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.scf.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.dvscfq2r.in.args=6\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.elph.in.args=2\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.elph.interpol.in.args=10\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_metal/\nq-e-qe-7.6/test-suite/ph_metal/al.elph.in\nq-e-qe-7.6/test-suite/ph_metal/al.elph.notrans.in\nq-e-qe-7.6/test-suite/ph_metal/al.scf.fit.in\nq-e-qe-7.6/test-suite/ph_metal/al.scf.in\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=al.elph.in.args=2\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=al.elph.notrans.in.args=10\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=al.scf.fit.in.args=1\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=al.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=lambda.in.args=5\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=matdyn.in.dos.args=4\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=matdyn.in.freq.args=4\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=q2r.in.args=3\nq-e-qe-7.6/test-suite/ph_metal/lambda.in\nq-e-qe-7.6/test-suite/ph_metal/matdyn.in.dos\nq-e-qe-7.6/test-suite/ph_metal/matdyn.in.freq\nq-e-qe-7.6/test-suite/ph_metal/q2r.in\nq-e-qe-7.6/test-suite/ph_multipole/\nq-e-qe-7.6/test-suite/ph_multipole/README.txt\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.01.args=2\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.02.args=2\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.03.args=2\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.04.args=13\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=scf.in.args=12\nq-e-qe-7.6/test-suite/ph_multipole/multipole.py\nq-e-qe-7.6/test-suite/ph_multipole/ph.in\nq-e-qe-7.6/test-suite/ph_multipole/scf.in\nq-e-qe-7.6/test-suite/ph_raman/\nq-e-qe-7.6/test-suite/ph_raman/benchmark.out.git.inp=h2o.dynmat.in.args=9\nq-e-qe-7.6/test-suite/ph_raman/benchmark.out.git.inp=h2o.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_raman/benchmark.out.git.inp=h2o.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_raman/h2o.dynmat.in\nq-e-qe-7.6/test-suite/ph_raman/h2o.ph.in\nq-e-qe-7.6/test-suite/ph_raman/h2o.scf.in\nq-e-qe-7.6/test-suite/ph_restart/\nq-e-qe-7.6/test-suite/ph_restart/SiC.phG.restart1.in\nq-e-qe-7.6/test-suite/ph_restart/SiC.phG.restart2.in\nq-e-qe-7.6/test-suite/ph_restart/SiC.phG.restart3.in\nq-e-qe-7.6/test-suite/ph_restart/SiC.phG.restart4.in\nq-e-qe-7.6/test-suite/ph_restart/SiC.scf.in\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart1.in.args=2\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart2.in.args=10\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart3.in.args=10\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart4.in.args=10\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_twochem/\nq-e-qe-7.6/test-suite/ph_twochem/benchmark.out.git.inp=phG2.in.args=11\nq-e-qe-7.6/test-suite/ph_twochem/benchmark.out.git.inp=phG_twochem.in.args=11\nq-e-qe-7.6/test-suite/ph_twochem/benchmark.out.git.inp=scf2.in.args=1\nq-e-qe-7.6/test-suite/ph_twochem/benchmark.out.git.inp=scf_twochem.in.args=1\nq-e-qe-7.6/test-suite/ph_twochem/phG2.in\nq-e-qe-7.6/test-suite/ph_twochem/phG_twochem.in\nq-e-qe-7.6/test-suite/ph_twochem/scf2.in\nq-e-qe-7.6/test-suite/ph_twochem/scf_twochem.in\nq-e-qe-7.6/test-suite/pioud_diamond/\nq-e-qe-7.6/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_ceriotti.in\nq-e-qe-7.6/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_pimd.in\nq-e-qe-7.6/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_verlet.in\nq-e-qe-7.6/test-suite/pioud_diamond/diamond_ceriotti.in\nq-e-qe-7.6/test-suite/pioud_diamond/diamond_pimd.in\nq-e-qe-7.6/test-suite/pioud_diamond/diamond_verlet.in\nq-e-qe-7.6/test-suite/pp_acf/\nq-e-qe-7.6/test-suite/pp_acf/benchmark.out.git.inp=ppacf_fock.in.args=2\nq-e-qe-7.6/test-suite/pp_acf/benchmark.out.git.inp=scf_vdw.in.args=1\nq-e-qe-7.6/test-suite/pp_acf/ppacf_fock.in\nq-e-qe-7.6/test-suite/pp_acf/scf_vdw.in\nq-e-qe-7.6/test-suite/pw_atom/\nq-e-qe-7.6/test-suite/pw_atom/atom-lsda.in\nq-e-qe-7.6/test-suite/pw_atom/atom-occ1.in\nq-e-qe-7.6/test-suite/pw_atom/atom-occ2.in\nq-e-qe-7.6/test-suite/pw_atom/atom-pbe.in\nq-e-qe-7.6/test-suite/pw_atom/atom-sigmapbe.in\nq-e-qe-7.6/test-suite/pw_atom/atom.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-lsda.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-occ1.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-occ2.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-pbe.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-sigmapbe.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom.in\nq-e-qe-7.6/test-suite/pw_b3lyp/\nq-e-qe-7.6/test-suite/pw_b3lyp/b3lyp-O.in\nq-e-qe-7.6/test-suite/pw_b3lyp/b3lyp-O_std.in\nq-e-qe-7.6/test-suite/pw_b3lyp/b3lyp-h2o.in\nq-e-qe-7.6/test-suite/pw_b3lyp/b3lyp-h2o_std.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-O.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-O_std.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-h2o.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-h2o_std.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=x3lyp-O.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=x3lyp-h2o.in\nq-e-qe-7.6/test-suite/pw_b3lyp/x3lyp-O.in\nq-e-qe-7.6/test-suite/pw_b3lyp/x3lyp-h2o.in\nq-e-qe-7.6/test-suite/pw_berry/\nq-e-qe-7.6/test-suite/pw_berry/benchmark.out.git.inp=berry-1.in\nq-e-qe-7.6/test-suite/pw_berry/benchmark.out.git.inp=berry-2.in\nq-e-qe-7.6/test-suite/pw_berry/benchmark.out.git.inp=berry.in\nq-e-qe-7.6/test-suite/pw_berry/berry-1.in\nq-e-qe-7.6/test-suite/pw_berry/berry-2.in\nq-e-qe-7.6/test-suite/pw_berry/berry.in\nq-e-qe-7.6/test-suite/pw_cluster/\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster1.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster2.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster3.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster4.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster5.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster6.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster1.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster2.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster3.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster4.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster5.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster6.in\nq-e-qe-7.6/test-suite/pw_dft/\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft1.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft10.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft11.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft2.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft3.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft4.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft5.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft6.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft7.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft8.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft9.in\nq-e-qe-7.6/test-suite/pw_dft/dft1.in\nq-e-qe-7.6/test-suite/pw_dft/dft10.in\nq-e-qe-7.6/test-suite/pw_dft/dft11.in\nq-e-qe-7.6/test-suite/pw_dft/dft2.in\nq-e-qe-7.6/test-suite/pw_dft/dft3.in\nq-e-qe-7.6/test-suite/pw_dft/dft4.in\nq-e-qe-7.6/test-suite/pw_dft/dft5.in\nq-e-qe-7.6/test-suite/pw_dft/dft6.in\nq-e-qe-7.6/test-suite/pw_dft/dft7.in\nq-e-qe-7.6/test-suite/pw_dft/dft8.in\nq-e-qe-7.6/test-suite/pw_dft/dft9.in\nq-e-qe-7.6/test-suite/pw_diag_direct/\nq-e-qe-7.6/test-suite/pw_diag_direct/benchmark.out.git.inp=scf-davidson.in\nq-e-qe-7.6/test-suite/pw_diag_direct/benchmark.out.git.inp=scf-direct.in\nq-e-qe-7.6/test-suite/pw_diag_direct/scf-davidson.in\nq-e-qe-7.6/test-suite/pw_diag_direct/scf-direct.in\nq-e-qe-7.6/test-suite/pw_dipole/\nq-e-qe-7.6/test-suite/pw_dipole/2dcutoff.in\nq-e-qe-7.6/test-suite/pw_dipole/benchmark.out.git.inp=2dcutoff.in\nq-e-qe-7.6/test-suite/pw_dipole/benchmark.out.git.inp=dipole.in\nq-e-qe-7.6/test-suite/pw_dipole/dipole.in\nq-e-qe-7.6/test-suite/pw_electric/\nq-e-qe-7.6/test-suite/pw_electric/benchmark.out.git.inp=electric-1.in\nq-e-qe-7.6/test-suite/pw_electric/benchmark.out.git.inp=electric-2.in\nq-e-qe-7.6/test-suite/pw_electric/benchmark.out.git.inp=electric.in\nq-e-qe-7.6/test-suite/pw_electric/electric-1.in\nq-e-qe-7.6/test-suite/pw_electric/electric-2.in\nq-e-qe-7.6/test-suite/pw_electric/electric.in\nq-e-qe-7.6/test-suite/pw_eval/\nq-e-qe-7.6/test-suite/pw_eval/benchmark.out.git.inp=eval_infix-2.in\nq-e-qe-7.6/test-suite/pw_eval/benchmark.out.git.inp=eval_infix.in\nq-e-qe-7.6/test-suite/pw_eval/eval_infix-2.in\nq-e-qe-7.6/test-suite/pw_eval/eval_infix.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/\nq-e-qe-7.6/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si111.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si222.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si444.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/gau-pbe-si111.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/gau-pbe-si222.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/gau-pbe-si444.in\nq-e-qe-7.6/test-suite/pw_hse/\nq-e-qe-7.6/test-suite/pw_hse/benchmark.out.git.inp=hse-si111.in\nq-e-qe-7.6/test-suite/pw_hse/benchmark.out.git.inp=hse-si222.in\nq-e-qe-7.6/test-suite/pw_hse/benchmark.out.git.inp=hse-si444.in\nq-e-qe-7.6/test-suite/pw_hse/benchmark.out.git.inp=hse-si444_std.in\nq-e-qe-7.6/test-suite/pw_hse/hse-si111.in\nq-e-qe-7.6/test-suite/pw_hse/hse-si222.in\nq-e-qe-7.6/test-suite/pw_hse/hse-si444.in\nq-e-qe-7.6/test-suite/pw_hse/hse-si444_std.in\nq-e-qe-7.6/test-suite/pw_irrbz/\nq-e-qe-7.6/test-suite/pw_irrbz/benchmark.out.git.inp=scf.in\nq-e-qe-7.6/test-suite/pw_irrbz/scf.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-12-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-12.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-3-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-3.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-5-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-5.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters+a.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters+celldm.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters-ang.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav1-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav1.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav10-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav10.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav11-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav11.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav12-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav12.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav13-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav13.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav14-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav14.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav2-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav2.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav3-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav3.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav4-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav4.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav5-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav5.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav6-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav6.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav7-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav7.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav8-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav8.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav9-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav9.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-wyckoff-sio2.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-12-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-12.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-3-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-3.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-5-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-5.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters+a.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters+celldm.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters-ang.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav1-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav1.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav10-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav10.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav11-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav11.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav12-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav12.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav13-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav13.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav14-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav14.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav2-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav2.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav3-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav3.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav4-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav4.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav5-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav5.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav6-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav6.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav7-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav7.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav8-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav8.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav9-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav9.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-wyckoff-sio2.in\nq-e-qe-7.6/test-suite/pw_lda+U/\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+J0.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V-user_ns.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_background.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_force_stress_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_noncol_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U-noU.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U-user_ns.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_background_one_channel.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_background_two_channels.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_force.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_force_stress_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_gamma.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_kind1_collin.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_kind1_noncollin.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_noncol_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_orbital_resolved.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_pseudo.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+J0.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+V-user_ns.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+V_background.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+V_force_stress_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+V_noncol_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U-noU.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U-noU.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U-user_ns.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U-user_ns.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_background_one_channel.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_background_two_channels.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_force.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_force.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_force_stress_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_gamma.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_gamma.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_kind1_collin.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_kind1_noncollin.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_noncol_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_orbital_resolved.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_orbital_resolved.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_pseudo.in\nq-e-qe-7.6/test-suite/pw_libxc/\nq-e-qe-7.6/test-suite/pw_libxc/benchmark.out.git.inp=gga_unpol_atom-pbe.in\nq-e-qe-7.6/test-suite/pw_libxc/benchmark.out.git.inp=hyb_gga_unpol_hse-si111.in\nq-e-qe-7.6/test-suite/pw_libxc/benchmark.out.git.inp=lda_pol_atom-lsda.in\nq-e-qe-7.6/test-suite/pw_libxc/benchmark.out.git.inp=mgga_unpol_metaGGA.in\nq-e-qe-7.6/test-suite/pw_libxc/gga_unpol_atom-pbe.in\nq-e-qe-7.6/test-suite/pw_libxc/hyb_gga_unpol_hse-si111.in\nq-e-qe-7.6/test-suite/pw_libxc/lda_pol_atom-lsda.in\nq-e-qe-7.6/test-suite/pw_libxc/mgga_unpol_metaGGA.in\nq-e-qe-7.6/test-suite/pw_lsda/\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-2.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-cg.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-nelup+neldw.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-tot_magnetization.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-2.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-cg.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-nelup+neldw.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-tot_magnetization.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda.in\nq-e-qe-7.6/test-suite/pw_md/\nq-e-qe-7.6/test-suite/pw_md/CMakeLists.txt\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap1.in\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap1.in.args=1\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap2.in\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap2.in.args=2\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-wfc_extrap1.in.args=1\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-wfc_extrap2.in.args=2\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md.in.args=1\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md_restart_verlet.in.args=22\nq-e-qe-7.6/test-suite/pw_md/md-pot_extrap1.in\nq-e-qe-7.6/test-suite/pw_md/md-pot_extrap2.in\nq-e-qe-7.6/test-suite/pw_md/md-wfc_extrap1.in\nq-e-qe-7.6/test-suite/pw_md/md-wfc_extrap2.in\nq-e-qe-7.6/test-suite/pw_md/md.in\nq-e-qe-7.6/test-suite/pw_md/md_restart_verlet.in\nq-e-qe-7.6/test-suite/pw_md/md_restart_verlet_original.md\nq-e-qe-7.6/test-suite/pw_metaGGA/\nq-e-qe-7.6/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-1.in\nq-e-qe-7.6/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-2.in\nq-e-qe-7.6/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-spin.in\nq-e-qe-7.6/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA.in\nq-e-qe-7.6/test-suite/pw_metaGGA/metaGGA-1.in\nq-e-qe-7.6/test-suite/pw_metaGGA/metaGGA-2.in\nq-e-qe-7.6/test-suite/pw_metaGGA/metaGGA-spin.in\nq-e-qe-7.6/test-suite/pw_metaGGA/metaGGA.in\nq-e-qe-7.6/test-suite/pw_metal/\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-2.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-fermi_dirac.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-gaussian.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra-1.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra-2.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal.in\nq-e-qe-7.6/test-suite/pw_metal/metal-2.in\nq-e-qe-7.6/test-suite/pw_metal/metal-fermi_dirac.in\nq-e-qe-7.6/test-suite/pw_metal/metal-gaussian.in\nq-e-qe-7.6/test-suite/pw_metal/metal-tetrahedra-1.in\nq-e-qe-7.6/test-suite/pw_metal/metal-tetrahedra-2.in\nq-e-qe-7.6/test-suite/pw_metal/metal-tetrahedra.in\nq-e-qe-7.6/test-suite/pw_metal/metal.in\nq-e-qe-7.6/test-suite/pw_noncolin/\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-1.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-2.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-cg.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_angle.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_atomic.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_total.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-hyb.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-hyb_std.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-pbe.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-rmm.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-1.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-2.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-cg.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-constrain_angle.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-constrain_atomic.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-constrain_total.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-hyb.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-hyb_std.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-pbe.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-rmm.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin.in\nq-e-qe-7.6/test-suite/pw_pawatom/\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_l=2.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_lda.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_spin.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_spin_lda.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_tqr.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-bfgs.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-vcbfgs.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_l=2.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_lda.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_spin.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_spin_lda.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_tqr.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-bfgs.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-vcbfgs.in\nq-e-qe-7.6/test-suite/pw_pbe/\nq-e-qe-7.6/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si111.in\nq-e-qe-7.6/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si222.in\nq-e-qe-7.6/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si444.in\nq-e-qe-7.6/test-suite/pw_pbe/benchmark.out.git.inp=pbeq2d.in\nq-e-qe-7.6/test-suite/pw_pbe/pbe0-si111.in\nq-e-qe-7.6/test-suite/pw_pbe/pbe0-si222.in\nq-e-qe-7.6/test-suite/pw_pbe/pbe0-si444.in\nq-e-qe-7.6/test-suite/pw_pbe/pbeq2d.in\nq-e-qe-7.6/test-suite/pw_plugins/\nq-e-qe-7.6/test-suite/pw_plugins/benchmark.out.git.inp=plugin-pw2casino_1.in.args=48\nq-e-qe-7.6/test-suite/pw_plugins/benchmark.out.git.inp=plugin-pw2casino_2.in.args=48\nq-e-qe-7.6/test-suite/pw_plugins/plugin-pw2casino_1.in\nq-e-qe-7.6/test-suite/pw_plugins/plugin-pw2casino_2.in\nq-e-qe-7.6/test-suite/pw_realspace/\nq-e-qe-7.6/test-suite/pw_realspace/benchmark.out.git.inp=cluster_gs.in\nq-e-qe-7.6/test-suite/pw_realspace/benchmark.out.git.inp=cluster_gs50.in\nq-e-qe-7.6/test-suite/pw_realspace/benchmark.out.git.inp=cluster_rs.in\nq-e-qe-7.6/test-suite/pw_realspace/benchmark.out.git.inp=cluster_rs50.in\nq-e-qe-7.6/test-suite/pw_realspace/cluster_gs.in\nq-e-qe-7.6/test-suite/pw_realspace/cluster_gs50.in\nq-e-qe-7.6/test-suite/pw_realspace/cluster_rs.in\nq-e-qe-7.6/test-suite/pw_realspace/cluster_rs50.in\nq-e-qe-7.6/test-suite/pw_relax/\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax-damped.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax-el.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax-extfor.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax-fire.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax2-bfgs_ndim3.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax2.in\nq-e-qe-7.6/test-suite/pw_relax/relax-damped.in\nq-e-qe-7.6/test-suite/pw_relax/relax-el.in\nq-e-qe-7.6/test-suite/pw_relax/relax-extfor.in\nq-e-qe-7.6/test-suite/pw_relax/relax-fire.in\nq-e-qe-7.6/test-suite/pw_relax/relax.in\nq-e-qe-7.6/test-suite/pw_relax/relax2-bfgs_ndim3.in\nq-e-qe-7.6/test-suite/pw_relax/relax2.in\nq-e-qe-7.6/test-suite/pw_scf/\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-1.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-2.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-allfrac.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-cg-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-cg.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io-1.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io-2.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-gth.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-k0.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-kauto.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-kcrys.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_beta.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-ncpp.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-nofrac.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-occ.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-paro-k.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-k.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-paro-k.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf.in\nq-e-qe-7.6/test-suite/pw_scf/scf-1.in\nq-e-qe-7.6/test-suite/pw_scf/scf-2.in\nq-e-qe-7.6/test-suite/pw_scf/scf-allfrac.in\nq-e-qe-7.6/test-suite/pw_scf/scf-cg-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-cg.in\nq-e-qe-7.6/test-suite/pw_scf/scf-disk_io-1.in\nq-e-qe-7.6/test-suite/pw_scf/scf-disk_io-2.in\nq-e-qe-7.6/test-suite/pw_scf/scf-disk_io.in\nq-e-qe-7.6/test-suite/pw_scf/scf-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-gth.in\nq-e-qe-7.6/test-suite/pw_scf/scf-k0.in\nq-e-qe-7.6/test-suite/pw_scf/scf-kauto.in\nq-e-qe-7.6/test-suite/pw_scf/scf-kcrys.in\nq-e-qe-7.6/test-suite/pw_scf/scf-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_scf/scf-mixing_beta.in\nq-e-qe-7.6/test-suite/pw_scf/scf-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_scf/scf-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_scf/scf-ncpp.in\nq-e-qe-7.6/test-suite/pw_scf/scf-nofrac.in\nq-e-qe-7.6/test-suite/pw_scf/scf-occ.in\nq-e-qe-7.6/test-suite/pw_scf/scf-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-paro-k.in\nq-e-qe-7.6/test-suite/pw_scf/scf-rmm-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-rmm-k.in\nq-e-qe-7.6/test-suite/pw_scf/scf-rmm-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-rmm-paro-k.in\nq-e-qe-7.6/test-suite/pw_scf/scf.in\nq-e-qe-7.6/test-suite/pw_spinorbit/\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-1.in\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-3.in\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-paw.in\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-pbe.in\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit-1.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit-3.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit-paw.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit-pbe.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit.in\nq-e-qe-7.6/test-suite/pw_twochem/\nq-e-qe-7.6/test-suite/pw_twochem/benchmark.out.git.inp=nscf_twochem.in.args=2\nq-e-qe-7.6/test-suite/pw_twochem/benchmark.out.git.inp=relax_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/benchmark.out.git.inp=scf_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/benchmark.out.git.inp=vc-relax_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/nscf_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/relax_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/scf_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/vc-relax_twochem.in\nq-e-qe-7.6/test-suite/pw_uspp/\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-2.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-cg-gamma.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-cg.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-g.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-g_std.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-k.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-k_std.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-paro-k.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-singlegrid.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp1-coulomb.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp1.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp2.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-2.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-cg-gamma.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-cg.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-hyb-g.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-hyb-g_std.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-hyb-k.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-hyb-k_std.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-paro-k.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-singlegrid.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp1-coulomb.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp1.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-md1.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-md2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax1.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax3.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax4.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax5.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax6.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-md1.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-md2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax1.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax3.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax4.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax5.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax6.in\nq-e-qe-7.6/test-suite/pw_vdw/\nq-e-qe-7.6/test-suite/pw_vdw/beef-spin.in\nq-e-qe-7.6/test-suite/pw_vdw/beef.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=beef-spin.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=beef.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=rVV10.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdW-DF3-opt1.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdW-DF3-opt2.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-d2.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-d3.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-mbd-vc-relax.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-mbd.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-ts.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=xdm.in\nq-e-qe-7.6/test-suite/pw_vdw/rVV10.in\nq-e-qe-7.6/test-suite/pw_vdw/vdW-DF3-opt1.in\nq-e-qe-7.6/test-suite/pw_vdw/vdW-DF3-opt2.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-d2.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-d3.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-mbd-vc-relax.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-mbd.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-ts.in\nq-e-qe-7.6/test-suite/pw_vdw/xdm.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-gamma-restart-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-gamma-restart-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-k-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-k-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-gamma-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-gamma-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-restart-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-restart-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-smearing-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-smearing-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/ncpp-gamma-restart-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/ncpp-gamma-restart-2.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/ncpp-k-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/ncpp-k-2.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-gamma-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-gamma-2.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-k-restart-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-k-restart-2.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-k-smearing-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-k-smearing-2.in\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/benchmark.out.git.inp=relax-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/benchmark.out.git.inp=relax-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/relax-1.in\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/relax-2.in\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/benchmark.out.git.inp=scf-dos-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/benchmark.out.git.inp=scf-dos-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/scf-dos-1.in\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/scf-dos-2.in\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/benchmark.out.git.inp=vc-relax-dos-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/benchmark.out.git.inp=vc-relax-dos-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/vc-relax-dos-1.in\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/vc-relax-dos-2.in\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/benchmark.out.git.inp=vc-relax-scf-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/benchmark.out.git.inp=vc-relax-scf-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-1.expected_exit_msg\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-1.in\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-2.in\nq-e-qe-7.6/test-suite/run-all_currents.sh\nq-e-qe-7.6/test-suite/run-cp.sh\nq-e-qe-7.6/test-suite/run-epw.sh\nq-e-qe-7.6/test-suite/run-hp.sh\nq-e-qe-7.6/test-suite/run-image.sh\nq-e-qe-7.6/test-suite/run-kcw.sh\nq-e-qe-7.6/test-suite/run-oscdft.sh\nq-e-qe-7.6/test-suite/run-ph.sh\nq-e-qe-7.6/test-suite/run-pioud.sh\nq-e-qe-7.6/test-suite/run-pp.sh\nq-e-qe-7.6/test-suite/run-pw.sh\nq-e-qe-7.6/test-suite/run-tddfpt.sh\nq-e-qe-7.6/test-suite/run-zg.sh\nq-e-qe-7.6/test-suite/tddfpt_CH4/\nq-e-qe-7.6/test-suite/tddfpt_CH4/CH4.pw.in\nq-e-qe-7.6/test-suite/tddfpt_CH4/CH4.td-lan.in\nq-e-qe-7.6/test-suite/tddfpt_CH4/CH4.td-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.td-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.td-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_eels-al/\nq-e-qe-7.6/test-suite/tddfpt_eels-al/Al.pw.in\nq-e-qe-7.6/test-suite/tddfpt_eels-al/Al.tddfpt-eels.in\nq-e-qe-7.6/test-suite/tddfpt_eels-al/Al_uspp.pw.in\nq-e-qe-7.6/test-suite/tddfpt_eels-al/Al_uspp.tddfpt-eels.in\nq-e-qe-7.6/test-suite/tddfpt_eels-al/benchmark.out.git.inp=Al.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_eels-al/benchmark.out.git.inp=Al.tddfpt-eels.in.args=5\nq-e-qe-7.6/test-suite/tddfpt_eels-al/benchmark.out.git.inp=Al_uspp.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_eels-al/benchmark.out.git.inp=Al_uspp.tddfpt-eels.in.args=5\nq-e-qe-7.6/test-suite/tddfpt_eels-si/\nq-e-qe-7.6/test-suite/tddfpt_eels-si/Si.pw.in\nq-e-qe-7.6/test-suite/tddfpt_eels-si/Si.tddfpt-eels.in\nq-e-qe-7.6/test-suite/tddfpt_eels-si/Si.tddfpt_pp_eels.in\nq-e-qe-7.6/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.tddfpt-eels.in.args=5\nq-e-qe-7.6/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.tddfpt_pp_eels.in.args=4\nq-e-qe-7.6/test-suite/tddfpt_hyb/\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetd-dav.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetd-lan.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetd-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetda-dav.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetda-lan.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetda-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetd-dav.in.args=8\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetd-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetd-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetda-dav.in.args=8\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetda-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetda-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=td-dav.in.args=8\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=td-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=td-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=tda-dav.in.args=8\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=tda-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=tda-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_hyb/pw.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/td-dav.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/td-lan.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/td-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/tda-dav.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/tda-lan.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/tda-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/Fe.pw.in\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/Fe.tddfpt-magnons.in\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/Fe.tddfpt_pp_magnons.in\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.tddfpt-magnons.in.args=6\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.tddfpt_pp_magnons.in.args=7\nq-e-qe-7.6/test-suite/testcode/\nq-e-qe-7.6/test-suite/testcode/LICENSE\nq-e-qe-7.6/test-suite/testcode/README.rst\nq-e-qe-7.6/test-suite/testcode/bin/\nq-e-qe-7.6/test-suite/testcode/bin/testcode.py\nq-e-qe-7.6/test-suite/testcode/docs/\nq-e-qe-7.6/test-suite/testcode/docs/.static/\nq-e-qe-7.6/test-suite/testcode/docs/.static/dummy_file\nq-e-qe-7.6/test-suite/testcode/docs/.templates/\nq-e-qe-7.6/test-suite/testcode/docs/.templates/dummy_file\nq-e-qe-7.6/test-suite/testcode/docs/Makefile\nq-e-qe-7.6/test-suite/testcode/docs/conf.py\nq-e-qe-7.6/test-suite/testcode/docs/configuration_files.rst\nq-e-qe-7.6/test-suite/testcode/docs/index.rst\nq-e-qe-7.6/test-suite/testcode/docs/installation.rst\nq-e-qe-7.6/test-suite/testcode/docs/jobconfig.rst\nq-e-qe-7.6/test-suite/testcode/docs/testcode.py.rst\nq-e-qe-7.6/test-suite/testcode/docs/userconfig.rst\nq-e-qe-7.6/test-suite/testcode/docs/verification.rst\nq-e-qe-7.6/test-suite/testcode/lib/\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/__init__.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/_functools_dummy.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/ansi.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/compatibility.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/config.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/dir_lock.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/exceptions.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/queues.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/util.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/validation.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/vcs.py\nq-e-qe-7.6/test-suite/userconfig.tmp\nq-e-qe-7.6/test-suite/validate_xsd_pw.py\nq-e-qe-7.6/test-suite/xsd_pw/\nq-e-qe-7.6/test-suite/xsd_pw/WaterP1_0_scf_0.in\nq-e-qe-7.6/test-suite/zg_conf/\nq-e-qe-7.6/test-suite/zg_conf/benchmark.out.git.inp=zg.in.args=0\nq-e-qe-7.6/test-suite/zg_conf/si.10_10_10.fc\nq-e-qe-7.6/test-suite/zg_conf/zg.in\nq-e-qe-7.6/upflib/\nq-e-qe-7.6/upflib/CMakeLists.txt\nq-e-qe-7.6/upflib/Makefile\nq-e-qe-7.6/upflib/README.md\nq-e-qe-7.6/upflib/TODO_upflib.md\nq-e-qe-7.6/upflib/atom.f90\nq-e-qe-7.6/upflib/atomic_number.f90\nq-e-qe-7.6/upflib/atwfc_mod.f90\nq-e-qe-7.6/upflib/beta_mod.f90\nq-e-qe-7.6/upflib/casino2upf.f90\nq-e-qe-7.6/upflib/casino_pp.f90\nq-e-qe-7.6/upflib/dom.f90\nq-e-qe-7.6/upflib/dqvan2.f90\nq-e-qe-7.6/upflib/dylmr2.f90\nq-e-qe-7.6/upflib/fixfiles.py\nq-e-qe-7.6/upflib/gen_us_dj.f90\nq-e-qe-7.6/upflib/gen_us_dy.f90\nq-e-qe-7.6/upflib/gth.f90\nq-e-qe-7.6/upflib/hgh2qe.f90\nq-e-qe-7.6/upflib/init_us_0.f90\nq-e-qe-7.6/upflib/init_us_1.f90\nq-e-qe-7.6/upflib/init_us_2_acc.f90\nq-e-qe-7.6/upflib/init_us_b0.f90\nq-e-qe-7.6/upflib/paw_variables.f90\nq-e-qe-7.6/upflib/pseudo_types.f90\nq-e-qe-7.6/upflib/qrad_mod.f90\nq-e-qe-7.6/upflib/qvan2.f90\nq-e-qe-7.6/upflib/radial_grids.f90\nq-e-qe-7.6/upflib/read_cpmd.f90\nq-e-qe-7.6/upflib/read_fhi.f90\nq-e-qe-7.6/upflib/read_ncpp.f90\nq-e-qe-7.6/upflib/read_ps.f90\nq-e-qe-7.6/upflib/read_psml.f90\nq-e-qe-7.6/upflib/read_upf_new.f90\nq-e-qe-7.6/upflib/read_upf_v1.f90\nq-e-qe-7.6/upflib/read_uspp.f90\nq-e-qe-7.6/upflib/rhoat_mod.f90\nq-e-qe-7.6/upflib/rhoc_mod.f90\nq-e-qe-7.6/upflib/simpsn.f90\nq-e-qe-7.6/upflib/sph_bes.f90\nq-e-qe-7.6/upflib/sph_ind.f90\nq-e-qe-7.6/upflib/spinor.f90\nq-e-qe-7.6/upflib/splinelib.f90\nq-e-qe-7.6/upflib/upf_auxtools.f90\nq-e-qe-7.6/upflib/upf_const.f90\nq-e-qe-7.6/upflib/upf_error.f90\nq-e-qe-7.6/upflib/upf_invmat.f90\nq-e-qe-7.6/upflib/upf_io.f90\nq-e-qe-7.6/upflib/upf_ions.f90\nq-e-qe-7.6/upflib/upf_kinds.f90\nq-e-qe-7.6/upflib/upf_kinds.h\nq-e-qe-7.6/upflib/upf_parallel_include.f90\nq-e-qe-7.6/upflib/upf_params.f90\nq-e-qe-7.6/upflib/upf_spinorb.f90\nq-e-qe-7.6/upflib/upf_to_internal.f90\nq-e-qe-7.6/upflib/upf_utils.f90\nq-e-qe-7.6/upflib/upfconv.f90\nq-e-qe-7.6/upflib/uspp.f90\nq-e-qe-7.6/upflib/uspp_param.f90\nq-e-qe-7.6/upflib/virtual_v2.f90\nq-e-qe-7.6/upflib/vloc_mod.f90\nq-e-qe-7.6/upflib/write_upf_new.f90\nq-e-qe-7.6/upflib/wxml.f90\nq-e-qe-7.6/upflib/xmltools.f90\nq-e-qe-7.6/upflib/ylmr2.f90\nq-e-qe-7.6/upflib/ylmr2_gpu.f90\n/kaggle/working/q-e-qe-7.6\n","output_type":"stream"}],"execution_count":2},{"cell_type":"markdown","source":"Here, nvfortran is a requirement otherwise the code cannot work. Use cuda 12.3 or above (use versions which give direct tarball over the newer 13.0+ interactive installer as it does not work).","metadata":{}},{"cell_type":"code","source":"%cd /kaggle/working\n!wget https://developer.download.nvidia.com/hpc-sdk/24.11/nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\n!tar xpzf nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\n!rm -rf nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T04:12:14.374316Z","iopub.execute_input":"2026-08-17T04:12:14.374724Z","iopub.status.idle":"2026-08-17T04:14:37.777372Z","shell.execute_reply.started":"2026-08-17T04:12:14.374677Z","shell.execute_reply":"2026-08-17T04:14:37.776539Z"}},"outputs":[{"name":"stdout","text":"/kaggle/working\n--2026-08-17 04:12:14-- https://developer.download.nvidia.com/hpc-sdk/24.11/nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\nResolving developer.download.nvidia.com (developer.download.nvidia.com)... 23.59.88.195, 23.59.88.207\nConnecting to developer.download.nvidia.com (developer.download.nvidia.com)|23.59.88.195|:443... connected.\nHTTP request sent, awaiting response... 200 OK\nLength: 6131381079 (5.7G) [application/x-tar]\nSaving to: ‘nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz’\n\nnvhpc_2024_2411_Lin 100%[===================>] 5.71G 245MB/s in 26s \n\n2026-08-17 04:12:40 (228 MB/s) - ‘nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz’ saved [6131381079/6131381079]\n\n","output_type":"stream"}],"execution_count":3},{"cell_type":"markdown","source":"## 3. Setting environment for running ","metadata":{}},{"cell_type":"markdown","source":"This part is extremely crucial, **do not** skip. Without this step, the whole process is not applicable.","metadata":{}},{"cell_type":"code","source":"import os\n\nbase = \"/kaggle/working/nvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11\" # Change path to current path where the nvhpc folder is\n\nos.environ[\"PATH\"] = base + \"/compilers/bin:\" + os.environ[\"PATH\"]\nos.environ[\"LD_LIBRARY_PATH\"] = base + \"/compilers/lib:\" + os.environ.get(\"LD_LIBRARY_PATH\", \"\")\nprint(\"Environment set.\")\n!nvfortran --version\nprint(\" \")\nprint(\"Check for error\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T04:14:37.779209Z","iopub.execute_input":"2026-08-17T04:14:37.779796Z","iopub.status.idle":"2026-08-17T04:14:38.611076Z","shell.execute_reply.started":"2026-08-17T04:14:37.779765Z","shell.execute_reply":"2026-08-17T04:14:38.610271Z"}},"outputs":[{"name":"stdout","text":"Environment set.\n\nnvfortran 24.11-0 64-bit target on Linux -tp skylake-avx512 \nNVIDIA Compilers and Tools\nCopyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.\n\nnvfortran 24.11-0 64-bit target on x86-64 Linux -tp skylake-avx512 \nNVIDIA Compilers and Tools\nCopyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.\n \nCheck for error\n","output_type":"stream"}],"execution_count":4},{"cell_type":"markdown","source":"## 4. Set config ","metadata":{}},{"cell_type":"markdown","source":"Ensure to not tinker with the config unless **absolutely needed**. **Do not modify.**","metadata":{}},{"cell_type":"code","source":"%cd /kaggle/working/q-e-qe-7.6 \n# Change path as per need\n!export LIBXC_LIBS=\"-L/usr/lib/x86_64-linux-gnu -lxc -lxcf03\"\n!export LIBXC_CFLAGS=\"-I/usr/include\"\n!./configure \\\n FC=nvfortran \\\n F90=nvfortran \\\n F77=nvfortran \\\n MPIF90=nvfortran \\\n CC=nvc \\\n CXX=nvc++ \\\n LD=nvfortran \\\n --with-cuda=yes \\\n --with-cuda-runtime=12.6 \\\n --with-cuda-cc=60 \\\n --with-scalapack=no","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T04:14:38.612382Z","iopub.execute_input":"2026-08-17T04:14:38.612756Z","iopub.status.idle":"2026-08-17T04:14:47.526601Z","shell.execute_reply.started":"2026-08-17T04:14:38.612726Z","shell.execute_reply":"2026-08-17T04:14:47.525847Z"}},"outputs":[{"name":"stdout","text":"/kaggle/working/q-e-qe-7.6\nin-source build\nchecking build system type... x86_64-pc-linux-gnu\nchecking ARCH... x86_64\nchecking setting AR... ... ar\nchecking setting ARFLAGS... ... ruv\nconfigure: WARNING: --with-cuda is obsolete, use --with-gpu=cuda instead\nchecking whether the Fortran compiler works... yes\nchecking for Fortran compiler default output file name... a.out\nchecking for suffix of executables... \nchecking whether we are cross compiling... no\nchecking for suffix of object files... o\nchecking whether we are using the GNU Fortran compiler... no\nchecking whether nvfortran accepts -g... yes\nchecking for Fortran flag to compile .f90 files... none\nchecking for nvfortran... nvfortran\nchecking whether we are using the GNU Fortran compiler... no\nchecking whether nvfortran accepts -g... yes\nchecking version of nvfortran... nvfortran 24.11-0\nconfigure: WARNING: Check whether user-supplied F90 is consistent with MPIF90 !!! \nsetting F90... nvfortran\nsetting MPIF90... nvfortran\nchecking whether we are using the GNU C compiler... yes\nchecking whether nvc accepts -g... yes\nchecking for nvc option to accept ISO C89... none needed\nsetting CC... nvc\nsetting CFLAGS... -O3\nusing F90... nvfortran\nsetting FFLAGS... -fast\nsetting F90FLAGS... -fast -Mcache_align -Mpreprocess -Mlarge_arrays\nsetting FFLAGS_NOOPT... -O0\nsetting FFLAGS_NOMAIN... -Mnomain\nsetting CPP... cpp\nsetting CPPFLAGS... -P -traditional -Uvector\nsetting LD... nvfortran\nsetting LDFLAGS...\nchecking whether Fortran compiler accepts -cuda -gpu=cuda12.6... yes\nchecking whether make sets $(MAKE)... yes\nchecking whether Fortran files must be preprocessed... no\nchecking for library containing dgemm... -lmkl_intel_lp64\nsetting BLAS_LIBS... -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nchecking FFT... \nchecking MASS... \nchecking for library containing mpi_init... no\nchecking ELPA... \nchecking for Environ... not used\nchecking if legacy plugins are enabled ... no\nchecking for ranlib... ranlib\nchecking for wget... wget -O\nsetting WGET... wget -O\nchecking for git... git\nsetting DFLAGS... -D__PGI -D__CUDA -D__DFTI\nsetting IFLAGS... -I. -I$(TOPDIR)/include -I/opt/intel/mkl/include\nconfigure: creating ./config.status\nconfig.status: creating install/make_lapack.inc\nconfig.status: creating make.inc\nconfig.status: creating configure.msg\nconfig.status: creating install/make_wannier90.inc\n/kaggle/working/q-e-qe-7.6/install/makedeps.sh: no arguments, compute all dependencies\ndirectory KCW/PP : okk ok okk okI : ok\nall dependencies updated successfully\n--------------------------------------------------------------------\nESPRESSO can take advantage of several optimized numerical libraries\n(essl, fftw, mkl...). This configure script attempts to find them,\nbut may fail if they have been installed in non-standard locations.\nIf a required library is not found, the local copy will be compiled.\n\nThe following libraries have been found:\n BLAS_LIBS= -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\n LAPACK_LIBS=\n FFT_LIBS=\n \n \n\nPlease check if this is what you expect.\n\nIf any libraries are missing, you may specify a list of directories\nto search and retry, as follows:\n ./configure LIBDIRS=\"list of directories, separated by spaces\"\n\nParallel environment not detected \\(is this a parallel machine?\\).\\\nConfigured for compilation of serial executables.\n\nFor more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).\n--------------------------------------------------------------------\nconfigure: success\n","output_type":"stream"}],"execution_count":5},{"cell_type":"markdown","source":"If final output shows configure: success, continue. Otherwise, search for documentation or use AI to help troubleshoot.","metadata":{}},{"cell_type":"code","source":"from pathlib import Path\nimport re\n\npath = Path(\"/kaggle/working/q-e-qe-7.6/make.inc\")\ntext = path.read_text()\n\nnew_lines = []\nfor line in text.splitlines():\n if line.strip().startswith(\"DFLAGS\"):\n line = re.sub(r\"-D__DFTI\\b\", \"\", line)\n line = re.sub(r\"-D__FFTW3\\b\", \"\", line)\n line = re.sub(r\"-D__FFTW\\b\", \"\", line)\n line = line.rstrip() + \" -D__FFTW\"\n new_lines.append(line)\n\npath.write_text(\"\\n\".join(new_lines) + \"\\n\")\n\nprint(\"Updated DFLAGS:\")\nfor line in new_lines:\n if line.strip().startswith(\"DFLAGS\"):\n print(line)","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T04:14:47.528079Z","iopub.execute_input":"2026-08-17T04:14:47.528402Z","iopub.status.idle":"2026-08-17T04:14:47.536842Z","shell.execute_reply.started":"2026-08-17T04:14:47.528356Z","shell.execute_reply":"2026-08-17T04:14:47.536119Z"}},"outputs":[{"name":"stdout","text":"Updated DFLAGS:\nDFLAGS = -D__PGI -D__CUDA -D__FFTW\n","output_type":"stream"}],"execution_count":6},{"cell_type":"markdown","source":"## 5. Compile and Run","metadata":{}},{"cell_type":"markdown","source":"The below code may take a few minutes to run. **Do not** interrupt execution. In case of errors saying certain parts are not there/broken, remove the comment on the cell below the given one. Then run the below cell and re-comment.","metadata":{}},{"cell_type":"code","source":"!cd /kaggle/working/q-e-qe-7.6/bin\n!make pw -j4 2>&1\n!make ph -j4 2>&1\n!make pp -j4 2>&1","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T04:14:47.53784Z","iopub.execute_input":"2026-08-17T04:14:47.53823Z","iopub.status.idle":"2026-08-17T04:24:26.432721Z","shell.execute_reply.started":"2026-08-17T04:14:47.538204Z","shell.execute_reply":"2026-08-17T04:24:26.431971Z"}},"outputs":[{"name":"stdout","text":"/bin/bash: line 1: cd: /kaggle/working/q-e-qe-7.6/bin: No such file or directory\ntest -d bin || mkdir bin\n( cd UtilXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libdevx || exit 1 )\n( cd FFTXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libmbd || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c parallel_include.f90 -o parallel_include.o\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\n( cd src ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\ninitializing external/devxlib submodule ...\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_param.f90 -o fft_param.o\ninitializing external/mbd submodule ...\n\u001b[33mhint: Using 'master' as the name for the initial branch. This default branch name\u001b[m\n\u001b[33mhint: is subject to change. To configure the initial branch name to use in all\u001b[m\n\u001b[33mhint: of your new repositories, which will suppress this warning, call:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit config --global init.defaultBranch \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: Names commonly chosen instead of 'master' are 'main', 'trunk' and\u001b[m\n\u001b[33mhint: 'development'. The just-created branch can be renamed via this command:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit branch -m \u001b[m\nInitialized empty Git repository in /kaggle/working/q-e-qe-7.6/external/mbd/.git/\n\u001b[33mhint: Using 'master' as the name for the initial branch. This default branch name\u001b[m\n\u001b[33mhint: is subject to change. To configure the initial branch name to use in all\u001b[m\n\u001b[33mhint: of your new repositories, which will suppress this warning, call:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit config --global init.defaultBranch \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: Names commonly chosen instead of 'master' are 'main', 'trunk' and\u001b[m\n\u001b[33mhint: 'development'. The just-created branch can be renamed via this command:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit branch -m \u001b[m\nInitialized empty Git repository in /kaggle/working/q-e-qe-7.6/external/devxlib/.git/\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fftw_interfaces.f90 -o fftw_interfaces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c nvtx_wrapper.f90 -o nvtx_wrapper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.FFTW3.f90 -o fft_scalar.FFTW3.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.FFTW3.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.SX6.f90 -o fft_scalar.SX6.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.SX6.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.cuFFT.f90 -o fft_scalar.cuFFT.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c cptimer.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c copy.c\nremote: Enumerating objects: 84, done.\u001b[K\nremote: Counting objects: 100% (84/84), done.\u001b[K\nremote: Compressing objects: 100% (82/82), done.\u001b[K\nremote: Total 84 (delta 3), reused 19 (delta 0), pack-reused 0 (from 0)\u001b[K\nUnpacking objects: 100% (84/84), 112.48 KiB | 2.34 MiB/s, done.\nFrom https://github.com/libmbd/libmbd\n * branch 89a3cc199c0a200c9f0f688c3229ef6b9a8d63bd -> FETCH_HEAD\nSwitched to a new branch 'recorded_HEAD'\ntouch git_mbd\nif test ! -f /kaggle/working/q-e-qe-7.6/MBD/make_mbd; then \\\n mkdir /kaggle/working/q-e-qe-7.6/MBD; \\\n cd /kaggle/working/q-e-qe-7.6/external/mbd/src; \\\n export FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include \"; \\\n (make -f ../../mbd.make && touch /kaggle/working/q-e-qe-7.6/MBD/make_mbd); \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/MBD; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/external/mbd/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_constants.f90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c c_mkdir.c\nsed -e 's/@PROJECT_VERSION_MAJOR@/0/' mbd_version.f90.in > mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_MINOR@/13/' mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_PATCH@/0/' mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_SUFFIX@/0/' mbd_version.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_gradients.f90\nremote: Enumerating objects: 117, done.\u001b[K\nremote: Counting objects: 100% (117/117), done.\u001b[K\nremote: Compressing objects: 100% (104/104), done.\u001b[K\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c device_helper.f90 -o device_helper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_defaults.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_linalg.F90\nremote: Total 117 (delta 16), reused 68 (delta 8), pack-reused 0 (from 0)\u001b[K\nReceiving objects: 100% (117/117), 5.07 MiB | 22.98 MiB/s, done.\nResolving deltas: 100% (16/16), done.\nFrom https://gitlab.com/max-centre/components/devicexlib\n * branch a6b89ef77b1ceda48e967921f1f5488d2df9226d -> FETCH_HEAD\nSwitched to a new branch 'recorded_HEAD'\ntouch git_devx\nif test ! -f /kaggle/working/q-e-qe-7.6/devxlib/make_devx; then \\\nmkdir -p /kaggle/working/q-e-qe-7.6/devxlib/src ; \\\ncd /kaggle/working/q-e-qe-7.6/external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.6/make.inc ../; \\\n( make all && touch /kaggle/working/q-e-qe-7.6/devxlib/make_devx ) ; \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/devxlib/src/ ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/external/devxlib/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_auxfunc_mod.f90 -o device_auxfunc_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_auxfunc_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_smallbox.f90 -o fft_smallbox.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_version.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_fbuff.f90 -o device_fbuff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_utils.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw_sp.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_damping.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_formulas.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_lapack.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_vdw_param.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_matrix.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_geom.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_dipole.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_memcpy_mod.f90 -o device_memcpy_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_memcpy_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_memcpy.f90 -o device_memcpy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_ts.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c eval_infix.c\n\u001b[01m\u001b[0m\u001b[01m\"eval_infix.c\", line 431\u001b[0m: \u001b[01;35mwarning\u001b[0m: statement is unreachable [code_is_unreachable]\n return EOL;\n ^\n\n\u001b[01;36m\u001b[0m\u001b[01;36mRemark\u001b[0m: individual warnings can be suppressed with \"--diag_suppress \"\n\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_coulomb.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c find_free_unit.f90 -o find_free_unit.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fletcher32.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c md5.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c md5_from_file.c\n\u001b[01m\u001b[0m\u001b[01m\"md5_from_file.c\", line 79\u001b[0m: \u001b[01;35mwarning\u001b[0m: parameter \u001b[01m\"err\"\u001b[0m was set but never used [set_but_not_used]\n void get_md5(const char *file, char *md5, int err)\n ^\n\n\u001b[01;36m\u001b[0m\u001b[01;36mRemark\u001b[0m: individual warnings can be suppressed with \"--diag_suppress \"\n\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c memstat.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c memusage.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mem_counter.f90 -o mem_counter.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c ptrace.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c util_param.f90 -o util_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c clib_wrappers.f90 -o clib_wrappers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c clocks_handler.f90 -o clocks_handler.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_density.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_hamiltonian.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mp.f90 -o mp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_rpa.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_scs.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_methods.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw_dp.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd.F90\nar -r libmbd.a mbd.o mbd_constants.o mbd_coulomb.o mbd_damping.o mbd_defaults.o mbd_density.o mbd_dipole.o mbd_formulas.o mbd_geom.o mbd_gradients.o mbd_hamiltonian.o mbd_lapack.o mbd_linalg.o mbd_matrix.o mbd_methods.o mbd_rpa.o mbd_scs.o mbd_ts.o mbd_utils.o mbd_version.o mbd_vdw_param.o\nar: creating libmbd.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/external/mbd/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c data_buffer.f90 -o data_buffer.o\n( cd XClib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/XClib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xclib_utils_and_para.f90 -o xclib_utils_and_para.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_kind.f90 -o qe_kind.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c pbecor.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c beefun.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c fletcher32_mod.f90 -o fletcher32_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mp_base.f90 -o mp_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xclib_error.f90 -o xclib_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_constants.f90 -o qe_constants.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c dft_setting_params.f90 -o dft_setting_params.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_corr_lda_lsda.f90 -o qe_funct_corr_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mp_base_gpu.f90 -o mp_base_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_exch_lda_lsda.f90 -o qe_funct_exch_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_corr_gga.f90 -o qe_funct_corr_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_auxfunc.f90 -o device_auxfunc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_exch_gga.f90 -o qe_funct_exch_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c print_mem.f90 -o print_mem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c thread_util.f90 -o thread_util.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c divide.f90 -o divide.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c error_handler.f90 -o error_handler.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_error.f90 -o fft_error.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c timer.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fft_stick.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c timer_mod.f90 -o timer_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_fbuff_mod.f90 -o device_fbuff_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_support.f90 -o fft_support.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_fbuff_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c deviceXlib_mod.f90 -o deviceXlib_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mp_bands_util.f90 -o mp_bands_util.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c stick_base.f90 -o stick_base.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (deviceXlib_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_mgga.f90 -o qe_funct_mgga.o\nar ruv libdevXlib.a deviceXlib_mod.o device_memcpy.o device_memcpy_mod.o device_auxfunc.o device_auxfunc_mod.o device_fbuff.o device_fbuff_mod.o timer.o timer_mod.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdevXlib.a\na - deviceXlib_mod.o\na - device_memcpy.o\na - device_memcpy_mod.o\na - device_auxfunc.o\na - device_auxfunc_mod.o\na - device_fbuff.o\na - device_fbuff_mod.o\na - timer.o\na - timer_mod.o\nranlib libdevXlib.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/external/devxlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.DFTI.f90 -o fft_scalar.DFTI.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.ESSL.f90 -o fft_scalar.ESSL.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.ESSL.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_beef_interface.f90 -o xc_beef_interface.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c export_gstart_2_solvers.f90 -o export_gstart_2_solvers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_lda_lsda.f90 -o qe_drivers_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c set_mpi_comm_4_solvers.f90 -o set_mpi_comm_4_solvers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_gga.f90 -o qe_drivers_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.FFTW.f90 -o fft_scalar.FFTW.o\nar ruv libutil.a clib_wrappers.o clocks_handler.o cptimer.o copy.o c_mkdir.o device_helper.o divide.o data_buffer.o eval_infix.o error_handler.o export_gstart_2_solvers.o find_free_unit.o fletcher32_mod.o fletcher32.o md5.o md5_from_file.o memstat.o memusage.o mem_counter.o mp.o mp_base.o mp_base_gpu.o mp_bands_util.o parallel_include.o print_mem.o ptrace.o set_mpi_comm_4_solvers.o util_param.o thread_util.o nvtx_wrapper.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libutil.a\na - clib_wrappers.o\na - clocks_handler.o\na - cptimer.o\na - copy.o\na - c_mkdir.o\na - device_helper.o\na - divide.o\na - data_buffer.o\na - eval_infix.o\na - error_handler.o\na - export_gstart_2_solvers.o\na - find_free_unit.o\na - fletcher32_mod.o\na - fletcher32.o\na - md5.o\na - md5_from_file.o\na - memstat.o\na - memusage.o\na - mem_counter.o\na - mp.o\na - mp_base.o\na - mp_base_gpu.o\na - mp_bands_util.o\na - parallel_include.o\na - print_mem.o\na - ptrace.o\na - set_mpi_comm_4_solvers.o\na - util_param.o\na - thread_util.o\na - nvtx_wrapper.o\nranlib libutil.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_lda_lsda.f90 -o xc_wrapper_lda_lsda.o\n( cd LAXlib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/LAXlib'\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib.h -o laxlib.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_hi.h -o laxlib_hi.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_kinds.h -o laxlib_kinds.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_low.h -o laxlib_low.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_mid.h -o laxlib_mid.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_param.h -o laxlib_param.fh\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_types.f90 -o la_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_types.f90 -o fft_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_param.f90 -o la_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_module.f90 -o la_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.f90 -o fft_scalar.o\n( cd upflib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/upflib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_kinds.f90 -o upf_kinds.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_io.f90 -o upf_io.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_params.f90 -o upf_params.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_utils.f90 -o upf_utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_invmat.f90 -o upf_invmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c paw_variables.f90 -o paw_variables.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atomic_number.f90 -o atomic_number.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dylmr2.f90 -o dylmr2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c dspev_drv.f90 -o dspev_drv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c splinelib.f90 -o splinelib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_dft_list.f90 -o qe_dft_list.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_d_lda_lsda.f90 -o qe_drivers_d_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c xmltools.f90 -o xmltools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mp_diag.f90 -o mp_diag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c zhpev_drv.f90 -o zhpev_drv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c scatter_mod.f90 -o scatter_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c spinor.f90 -o spinor.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c sph_ind.f90 -o sph_ind.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c simpsn.f90 -o simpsn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c rdiaghg.f90 -o rdiaghg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_d_gga.f90 -o qe_drivers_d_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_parallel_include.f90 -o upf_parallel_include.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c ylmr2_gpu.f90 -o ylmr2_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scatter_2d.f90 -o fft_scatter_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_buffers.f90 -o fft_buffers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c cdiagh.f90 -o cdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_mgga.f90 -o qe_drivers_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c rdiagh.f90 -o rdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dom.f90 -o dom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c ptoolkit.f90 -o ptoolkit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scatter_2d_gpu.f90 -o fft_scatter_2d_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_d_gga.f90 -o xc_wrapper_d_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c wxml.f90 -o wxml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_d_lda_lsda.f90 -o xc_wrapper_d_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_ggen.f90 -o fft_ggen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_gga.f90 -o xc_wrapper_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_const.f90 -o upf_const.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c pseudo_types.f90 -o pseudo_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c sph_bes.f90 -o sph_bes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_mgga.f90 -o xc_wrapper_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scatter.f90 -o fft_scatter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c dft_setting_routines.f90 -o dft_setting_routines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_auxtools.f90 -o upf_auxtools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_error.f90 -o upf_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_parallel_2d.f90 -o fft_parallel_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c write_upf_new.f90 -o write_upf_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_lib.f90 -o xc_lib.o\nar ruv xc_lib.a xclib_utils_and_para.o xclib_error.o qe_kind.o qe_constants.o dft_setting_params.o dft_setting_routines.o qe_dft_list.o qe_funct_corr_lda_lsda.o qe_funct_exch_lda_lsda.o qe_funct_corr_gga.o qe_funct_exch_gga.o qe_funct_mgga.o xc_beef_interface.o qe_drivers_lda_lsda.o qe_drivers_d_lda_lsda.o qe_drivers_gga.o qe_drivers_d_gga.o qe_drivers_mgga.o xc_wrapper_d_gga.o xc_wrapper_d_lda_lsda.o xc_wrapper_gga.o xc_wrapper_lda_lsda.o xc_wrapper_mgga.o xc_lib.o pbecor.o beefun.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating xc_lib.a\na - xclib_utils_and_para.o\na - xclib_error.o\na - qe_kind.o\na - qe_constants.o\na - dft_setting_params.o\na - dft_setting_routines.o\na - qe_dft_list.o\na - qe_funct_corr_lda_lsda.o\na - qe_funct_exch_lda_lsda.o\na - qe_funct_corr_gga.o\na - qe_funct_exch_gga.o\na - qe_funct_mgga.o\na - xc_beef_interface.o\na - qe_drivers_lda_lsda.o\na - qe_drivers_d_lda_lsda.o\na - qe_drivers_gga.o\na - qe_drivers_d_gga.o\na - qe_drivers_mgga.o\na - xc_wrapper_d_gga.o\na - xc_wrapper_d_lda_lsda.o\na - xc_wrapper_gga.o\na - xc_wrapper_lda_lsda.o\na - xc_wrapper_mgga.o\na - xc_lib.o\na - pbecor.o\na - beefun.o\nranlib xc_lib.a\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/XClib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c transto.f90 -o transto.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c ylmr2.f90 -o ylmr2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c virtual_v2.f90 -o virtual_v2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_smallbox_type.f90 -o fft_smallbox_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c casino_pp.f90 -o casino_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c tg_gather.f90 -o tg_gather.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_helper_subroutines.f90 -o fft_helper_subroutines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c distools.f90 -o distools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_error.f90 -o la_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_helper.f90 -o la_helper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c cdiaghg.f90 -o cdiaghg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c radial_grids.f90 -o radial_grids.o\nar ruv libqela.a la_types.o la_error.o la_module.o la_helper.o cdiaghg.o rdiaghg.o cdiagh.o rdiagh.o dspev_drv.o ptoolkit.o transto.o distools.o zhpev_drv.o mp_diag.o la_param.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqela.a\na - la_types.o\na - la_error.o\na - la_module.o\na - la_helper.o\na - cdiaghg.o\na - rdiaghg.o\na - cdiagh.o\na - rdiagh.o\na - dspev_drv.o\na - ptoolkit.o\na - transto.o\na - distools.o\na - zhpev_drv.o\na - mp_diag.o\na - la_param.o\nranlib libqela.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/LAXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scatter_gpu.f90 -o fft_scatter_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_interfaces.f90 -o fft_interfaces.o\n( cd KS_Solvers ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c david_rci.f90 -o david_rci.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c uspp_param.f90 -o uspp_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_interpolate.f90 -o fft_interpolate.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gth.f90 -o gth.o\nar ruv libdavid_rci.a david_rci.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdavid_rci.a\na - david_rci.o\nranlib libdavid_rci.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c cegterg.f90 -o cegterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c regterg.f90 -o regterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_parallel.f90 -o fft_parallel.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_spinorb.f90 -o upf_spinorb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_cpmd.f90 -o read_cpmd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_fhi.f90 -o read_fhi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_fwinv.f90 -o fft_fwinv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcegterg.f90 -o pcegterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pregterg.f90 -o pregterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_ncpp.f90 -o read_ncpp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_psml.f90 -o read_psml.o\nar ruv libqefft.a scatter_mod.o fft_scatter_2d.o fft_scatter_gpu.o fft_scatter_2d_gpu.o fft_ggen.o fft_fwinv.o fft_scalar.o fft_scalar.DFTI.o fft_scalar.ESSL.o fft_scalar.FFTW.o fft_scatter.o fft_scalar.cuFFT.o fftw_interfaces.o fft_scalar.FFTW3.o fft_scalar.SX6.o fft_parallel.o fft_parallel_2d.o fft_interfaces.o fft_interpolate.o stick_base.o fftw.o fftw_sp.o fftw_dp.o fft_smallbox.o fft_smallbox_type.o fft_support.o fft_error.o fft_stick.o fft_types.o tg_gather.o fft_helper_subroutines.o fft_param.o fft_buffers.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqefft.a\na - scatter_mod.o\na - fft_scatter_2d.o\na - fft_scatter_gpu.o\na - fft_scatter_2d_gpu.o\na - fft_ggen.o\na - fft_fwinv.o\na - fft_scalar.o\na - fft_scalar.DFTI.o\na - fft_scalar.ESSL.o\na - fft_scalar.FFTW.o\na - fft_scatter.o\na - fft_scalar.cuFFT.o\na - fftw_interfaces.o\na - fft_scalar.FFTW3.o\na - fft_scalar.SX6.o\na - fft_parallel.o\na - fft_parallel_2d.o\na - fft_interfaces.o\na - fft_interpolate.o\na - stick_base.o\na - fftw.o\na - fftw_sp.o\na - fftw_dp.o\na - fft_smallbox.o\na - fft_smallbox_type.o\na - fft_support.o\na - fft_error.o\na - fft_stick.o\na - fft_types.o\na - tg_gather.o\na - fft_helper_subroutines.o\na - fft_param.o\na - fft_buffers.o\nranlib libqefft.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_upf_new.f90 -o read_upf_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_upf_v1.f90 -o read_upf_v1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_uspp.f90 -o read_uspp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_ions.f90 -o upf_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_to_internal.f90 -o upf_to_internal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upfconv.f90 -o upfconv.o\nar ruv libdavid.a cegterg.o regterg.o pcegterg.o pregterg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdavid.a\na - cegterg.o\na - regterg.o\na - pcegterg.o\na - pregterg.o\nranlib libdavid.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c ccgdiagg.f90 -o ccgdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c rcgdiagg.f90 -o rcgdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c casino2upf.f90 -o casino2upf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atom.f90 -o atom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c uspp.f90 -o uspp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_0.f90 -o init_us_0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_b0.f90 -o init_us_b0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_ps.f90 -o read_ps.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atwfc_mod.f90 -o atwfc_mod.o\nar ruv libcg.a ccgdiagg.o rcgdiagg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libcg.a\na - ccgdiagg.o\na - rcgdiagg.o\nranlib libcg.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_gamma.f90 -o paro_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_gamma_new.f90 -o paro_gamma_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_k.f90 -o paro_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_k_new.f90 -o paro_k_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c beta_mod.f90 -o beta_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c qrad_mod.f90 -o qrad_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c rhoat_mod.f90 -o rhoat_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcg_gamma.f90 -o pcg_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcg_k.f90 -o pcg_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c rhoc_mod.f90 -o rhoc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c vloc_mod.f90 -o vloc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c qvan2.f90 -o qvan2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c bpcg_gamma.f90 -o bpcg_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c bpcg_k.f90 -o bpcg_k.o\nNVFORTRAN-W-0155-Constant or Parameter used in data clause - maxter (bpcg_gamma.f90: 304)\n 0 inform, 1 warnings, 0 severes, 0 fatal for bpcg_gamma\nNVFORTRAN-W-0155-Constant or Parameter used in data clause - maxter (bpcg_k.f90: 300)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dqvan2.f90 -o dqvan2.o\n 0 inform, 1 warnings, 0 severes, 0 fatal for bpcg_k\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gen_us_dj.f90 -o gen_us_dj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gen_us_dy.f90 -o gen_us_dy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_1.f90 -o init_us_1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_2_acc.f90 -o init_us_2_acc.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o virtual_v2.x virtual_v2.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nar ruv libparo.a paro_gamma.o paro_gamma_new.o paro_k.o paro_k_new.o pcg_gamma.o pcg_k.o bpcg_gamma.o bpcg_k.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libparo.a\na - paro_gamma.o\na - paro_gamma_new.o\na - paro_k.o\na - paro_k_new.o\na - pcg_gamma.o\na - pcg_k.o\na - bpcg_gamma.o\na - bpcg_k.o\nranlib libparo.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../PPCG -I ../../UtilXlib -I. -c crmmdiagg.f90 -o crmmdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../PPCG -I ../../UtilXlib -I. -c rrmmdiagg.f90 -o rrmmdiagg.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o upfconv.x upfconv.o casino_pp.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o casino2upf.x casino2upf.o casino_pp.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nar ruv libupf.a atwfc_mod.o beta_mod.o qrad_mod.o rhoat_mod.o rhoc_mod.o vloc_mod.o qvan2.o dqvan2.o gen_us_dj.o gen_us_dy.o init_us_0.o init_us_b0.o init_us_1.o init_us_2_acc.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libupf.a\na - atwfc_mod.o\na - beta_mod.o\na - qrad_mod.o\na - rhoat_mod.o\na - rhoc_mod.o\na - vloc_mod.o\na - qvan2.o\na - dqvan2.o\na - gen_us_dj.o\na - gen_us_dy.o\na - init_us_0.o\na - init_us_b0.o\na - init_us_1.o\na - init_us_2_acc.o\na - atom.o\na - atomic_number.o\na - dylmr2.o\na - gth.o\na - paw_variables.o\na - pseudo_types.o\na - radial_grids.o\na - read_cpmd.o\na - read_fhi.o\na - read_ncpp.o\na - read_ps.o\na - read_psml.o\na - read_upf_new.o\na - read_upf_v1.o\na - read_uspp.o\na - spinor.o\na - sph_ind.o\na - sph_bes.o\na - splinelib.o\na - simpsn.o\na - upf_auxtools.o\na - upf_const.o\na - upf_error.o\na - upf_invmat.o\na - upf_io.o\na - upf_ions.o\na - upf_kinds.o\na - upf_params.o\na - upf_parallel_include.o\na - upf_spinorb.o\na - upf_to_internal.o\na - upf_utils.o\na - uspp.o\na - uspp_param.o\na - write_upf_new.o\na - xmltools.o\na - ylmr2.o\na - ylmr2_gpu.o\na - dom.o\na - wxml.o\nranlib libupf.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/upflib'\n( cd Modules ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/Modules'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c kind.f90 -o kind.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c parameters.f90 -o parameters.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c io_global.f90 -o io_global.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_bands.f90 -o mp_bands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c noncol.f90 -o noncol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c bspline.f90 -o bspline.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fft_base.f90 -o fft_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c coulomb_vcut.f90 -o coulomb_vcut.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c environ_api_stub.f90 -o environ_api_stub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_pools.f90 -o mp_pools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qeh5_module.f90 -o qeh5_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c version.f90 -o version.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fsockets.f90 -o fsockets.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lmdif.f90 -o lmdif.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plugin_flags.f90 -o plugin_flags.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mdiis.f90 -o mdiis.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_wave.f90 -o mp_wave.o\nar ruv librmm.a crmmdiagg.o rrmmdiagg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating librmm.a\na - crmmdiagg.o\na - rrmmdiagg.o\nranlib librmm.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_HSpsi_gamma.f90 -o rotate_HSpsi_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_HSpsi_k.f90 -o rotate_HSpsi_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_wfc_gamma.f90 -o rotate_wfc_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c open_close_input_file.f90 -o open_close_input_file.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plugin_arguments.f90 -o plugin_arguments.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plugin_variables.f90 -o plugin_variables.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wypos.f90 -o wypos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c run_info.f90 -o run_info.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_wfc_k.f90 -o rotate_wfc_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c space_group.f90 -o space_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c set_vdw_corr.f90 -o set_vdw_corr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_driver.f90 -o rotate_driver.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_types_module.f90 -o qes_types_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_xpsi_k.f90 -o rotate_xpsi_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c setqf.f90 -o setqf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_xpsi_gamma.f90 -o rotate_xpsi_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c timestep.f90 -o timestep.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c gram_schmidt_gamma.f90 -o gram_schmidt_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_bcast_module.f90 -o qes_bcast_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c gram_schmidt_k.f90 -o gram_schmidt_k.o\nar ruv libdense.a rotate_HSpsi_gamma.o rotate_HSpsi_k.o rotate_wfc_gamma.o rotate_wfc_k.o rotate_driver.o rotate_xpsi_k.o rotate_xpsi_gamma.o gram_schmidt_gamma.o gram_schmidt_k.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdense.a\na - rotate_HSpsi_gamma.o\na - rotate_HSpsi_k.o\na - rotate_wfc_gamma.o\na - rotate_wfc_k.o\na - rotate_driver.o\na - rotate_xpsi_k.o\na - rotate_xpsi_gamma.o\na - gram_schmidt_gamma.o\na - gram_schmidt_k.o\nranlib libdense.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nif test -d Direct ; then \\\n ( cd Direct ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c direct_diag_k.f90 -o direct_diag_k.o\nar ruv libdirect.a direct_diag_k.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdirect.a\na - direct_diag_k.o\nranlib libdirect.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nar ruv libks_solvers.a Davidson_RCI/david_rci.o Davidson/cegterg.o Davidson/regterg.o Davidson/pcegterg.o Davidson/pregterg.o CG/ccgdiagg.o CG/rcgdiagg.o ParO/bpcg_gamma.o ParO/bpcg_k.o ParO/paro_gamma.o ParO/pcg_gamma.o ParO/paro_k.o ParO/pcg_k.o ParO/paro_gamma_new.o ParO/paro_k_new.o DENSE/rotate_HSpsi_gamma.o DENSE/rotate_HSpsi_k.o DENSE/rotate_wfc_gamma.o DENSE/rotate_wfc_k.o DENSE/rotate_driver.o DENSE/gram_schmidt_gamma.o DENSE/gram_schmidt_k.o DENSE/rotate_xpsi_gamma.o DENSE/rotate_xpsi_k.o RMM/crmmdiagg.o RMM/rrmmdiagg.o Direct/direct_diag_k.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libks_solvers.a\na - Davidson_RCI/david_rci.o\na - Davidson/cegterg.o\na - Davidson/regterg.o\na - Davidson/pcegterg.o\na - Davidson/pregterg.o\na - CG/ccgdiagg.o\na - CG/rcgdiagg.o\na - ParO/bpcg_gamma.o\na - ParO/bpcg_k.o\na - ParO/paro_gamma.o\na - ParO/pcg_gamma.o\na - ParO/paro_k.o\na - ParO/pcg_k.o\na - ParO/paro_gamma_new.o\na - ParO/paro_k_new.o\na - DENSE/rotate_HSpsi_gamma.o\na - DENSE/rotate_HSpsi_k.o\na - DENSE/rotate_wfc_gamma.o\na - DENSE/rotate_wfc_k.o\na - DENSE/rotate_driver.o\na - DENSE/gram_schmidt_gamma.o\na - DENSE/gram_schmidt_k.o\na - DENSE/rotate_xpsi_gamma.o\na - DENSE/rotate_xpsi_k.o\na - RMM/crmmdiagg.o\na - RMM/rrmmdiagg.o\na - Direct/direct_diag_k.o\nranlib libks_solvers.a\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include ks_solver_interfaces.h -o ks_solver_interfaces.fh\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_init_module.f90 -o qes_init_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_read_module.f90 -o qes_read_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_reset_module.f90 -o qes_reset_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_write_module.f90 -o qes_write_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c molecule_types.f90 -o molecule_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wyckoff.f90 -o wyckoff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c zvscal.f90 -o zvscal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wave_gauge.f90 -o wave_gauge.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c atom_weight.f90 -o atom_weight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c cryst_to_car.f90 -o cryst_to_car.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c expint.f90 -o expint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c generate_k_along_lines.f90 -o generate_k_along_lines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c has_xml.f90 -o has_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c inpfile.f90 -o inpfile.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c int_to_char.f90 -o int_to_char.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c linpack.f90 -o linpack.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plot_io.f90 -o plot_io.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c radial_gradients.f90 -o radial_gradients.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rgen.f90 -o rgen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c recips.f90 -o recips.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c remove_tot_torque.f90 -o remove_tot_torque.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c sort.f90 -o sort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c trimcheck.f90 -o trimcheck.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c date_and_tim.f90 -o date_and_tim.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c volume.f90 -o volume.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c deviatoric.f90 -o deviatoric.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c customize_signals.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c qmmm_aux.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c sockets.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_rism.f90 -o mp_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c err_rism.f90 -o err_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvmol.f90 -o solvmol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c cryst_to_car_2d.f90 -o cryst_to_car_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lj_forcefield.f90 -o lj_forcefield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_swap_ax_rism.f90 -o mp_swap_ax_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plot_rism.f90 -o plot_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rms_residual.f90 -o rms_residual.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c constants.f90 -o constants.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c control_flags.f90 -o control_flags.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c invmat.f90 -o invmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wannier_new.f90 -o wannier_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_images.f90 -o mp_images.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c recvec.f90 -o recvec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_world.f90 -o mp_world.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c parser.f90 -o parser.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c random_numbers.f90 -o random_numbers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c cell_nose.f90 -o cell_nose.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c basic_algebra_routines.f90 -o basic_algebra_routines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c becmod.f90 -o becmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c io_files.f90 -o io_files.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c bz_form.f90 -o bz_form.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c set_signal.f90 -o set_signal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c command_line_options.f90 -o command_line_options.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c electrons_base.f90 -o electrons_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fox_init_module.f90 -o fox_init_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fft_rho.f90 -o fft_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fft_wave.f90 -o fft_wave.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c gvecw.f90 -o gvecw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_exx.f90 -o mp_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_global.f90 -o mp_global.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c printout_base.f90 -o printout_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c pw_dot.f90 -o pw_dot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c recvec_subs.f90 -o recvec_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c set_para_diag.f90 -o set_para_diag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c copy_order_um_from_xml.f90 -o copy_order_um_from_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wavefunctions.f90 -o wavefunctions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c ws_base.f90 -o ws_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c io_base.f90 -o io_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_libs_module.f90 -o qes_libs_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qexsd_input.f90 -o qexsd_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qexsd_copy.f90 -o qexsd_copy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c hdf5_qe.f90 -o hdf5_qe.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c xsf.f90 -o xsf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c random_numbers_gpu.f90 -o random_numbers_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c latgen.f90 -o latgen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wgauss.f90 -o wgauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c w0gauss.f90 -o w0gauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c w1gauss.f90 -o w1gauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lauefft.f90 -o lauefft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c radfft.f90 -o radfft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c molecule_const.f90 -o molecule_const.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c suscept_g0.f90 -o suscept_g0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c cell_base.f90 -o cell_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c input_parameters.f90 -o input_parameters.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c autopilot.f90 -o autopilot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c bfgs_module.f90 -o bfgs_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c check_stop.f90 -o check_stop.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c compute_dipole.f90 -o compute_dipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c environment.f90 -o environment.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fd_gradient.f90 -o fd_gradient.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c xc_rVV10.f90 -o xc_rVV10.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c xc_vdW_DF.f90 -o xc_vdW_DF.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c generate_function.f90 -o generate_function.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c gradutils.f90 -o gradutils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_namelists.f90 -o read_namelists.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wannier_gw.f90 -o wannier_gw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c recvec_3drism.f90 -o recvec_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c xml_io_rism.f90 -o xml_io_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_mol.f90 -o read_mol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lauefft_subs.f90 -o lauefft_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvavg.f90 -o solvavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c scale_fft_3drism.f90 -o scale_fft_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c scale_fft_lauerism.f90 -o scale_fft_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c additional_kpoints.f90 -o additional_kpoints.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c atomic_wfc_mod.f90 -o atomic_wfc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c ions_base.f90 -o ions_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c funct.f90 -o funct.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_cards.f90 -o read_cards.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c allocate_fft_3drism.f90 -o allocate_fft_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rism.f90 -o rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c data_structure_3drism.f90 -o data_structure_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_solv.f90 -o read_solv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c ions_nose.f90 -o ions_nose.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c constraints_module.f90 -o constraints_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c dist.f90 -o dist.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c environ_base_module.f90 -o environ_base_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c extffield.f90 -o extffield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c makov_payne.f90 -o makov_payne.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mm_dispersion.f90 -o mm_dispersion.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qmmm.f90 -o qmmm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_input.f90 -o read_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_pseudo.f90 -o read_pseudo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c tsvdw.f90 -o tsvdw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qexsd_init.f90 -o qexsd_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c chempot.f90 -o chempot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c chempot_lauerism.f90 -o chempot_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c closure.f90 -o closure.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c corrdipole_laue.f90 -o corrdipole_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c correctat0_vv.f90 -o correctat0_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c corrgxy0_laue.f90 -o corrgxy0_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c do_1drism.f90 -o do_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c do_3drism.f90 -o do_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c do_lauerism.f90 -o do_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_1drism.f90 -o eqn_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_3drism.f90 -o eqn_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauedipole.f90 -o eqn_lauedipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauegxy0.f90 -o eqn_lauegxy0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauelong.f90 -o eqn_lauelong.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauerism.f90 -o eqn_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_laueshort.f90 -o eqn_laueshort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauevoid.f90 -o eqn_lauevoid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c guess_3drism.f90 -o guess_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c init_1drism.f90 -o init_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c io_rism_xml.f90 -o io_rism_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solute.f90 -o solute.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c molecorr_vv.f90 -o molecorr_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c molebridge_vv.f90 -o molebridge_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c normalize_lauerism.f90 -o normalize_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c potential_3drism.f90 -o potential_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c potential_esm.f90 -o potential_esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c potential_vv.f90 -o potential_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_chempot_3drism.f90 -o print_chempot_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_chempot_lauerism.f90 -o print_chempot_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_chempot_vv.f90 -o print_chempot_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_corr_vv.f90 -o print_corr_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_3drism.f90 -o solvation_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_force.f90 -o solvation_force.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_lauerism.f90 -o solvation_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_pbc.f90 -o solvation_pbc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_stress.f90 -o solvation_stress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c suscept_laue.f90 -o suscept_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c suscept_laueint.f90 -o suscept_laueint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c suscept_vv.f90 -o suscept_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c write_rism_type.f90 -o write_rism_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mbdlib.f90 -o mbdlib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qexsd.f90 -o qexsd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rism1d_facade.f90 -o rism1d_facade.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rism3d_facade.f90 -o rism3d_facade.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lj_solute.f90 -o lj_solute.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c init_3drism.f90 -o init_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c input_1drism.f90 -o input_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_solvavg.f90 -o print_solvavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_esm.f90 -o solvation_esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c summary_1drism.f90 -o summary_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c summary_3drism.f90 -o summary_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c input_3drism.f90 -o input_3drism.o\nar ruv libqemod.a additional_kpoints.o atomic_wfc_mod.o autopilot.o ions_nose.o cell_nose.o basic_algebra_routines.o becmod.o bfgs_module.o bspline.o bz_form.o cell_base.o check_stop.o command_line_options.o compute_dipole.o constants.o constraints_module.o control_flags.o coulomb_vcut.o dist.o electrons_base.o environ_base_module.o environment.o extffield.o fd_gradient.o fft_base.o fft_rho.o fft_wave.o fsockets.o funct.o generate_function.o gradutils.o gvecw.o input_parameters.o invmat.o io_files.o io_global.o ions_base.o kind.o lmdif.o makov_payne.o mdiis.o mm_dispersion.o mp_bands.o mp_exx.o mp_global.o mp_images.o mp_pools.o mp_wave.o mp_world.o noncol.o open_close_input_file.o parameters.o parser.o plugin_flags.o plugin_arguments.o plugin_variables.o printout_base.o pw_dot.o qmmm.o random_numbers.o read_cards.o read_input.o read_namelists.o read_pseudo.o recvec.o recvec_subs.o run_info.o space_group.o set_para_diag.o set_signal.o set_vdw_corr.o copy_order_um_from_xml.o setqf.o timestep.o tsvdw.o mbdlib.o version.o wannier_gw.o wannier_new.o wavefunctions.o ws_base.o xc_vdW_DF.o xc_rVV10.o io_base.o qes_types_module.o qes_libs_module.o qes_write_module.o qes_read_module.o qes_reset_module.o qes_init_module.o qes_bcast_module.o qexsd.o qexsd_copy.o qexsd_init.o qexsd_input.o hdf5_qe.o qeh5_module.o fox_init_module.o xsf.o wyckoff.o wypos.o zvscal.o wave_gauge.o random_numbers_gpu.o atom_weight.o cryst_to_car.o expint.o generate_k_along_lines.o has_xml.o inpfile.o int_to_char.o latgen.o linpack.o plot_io.o radial_gradients.o rgen.o recips.o remove_tot_torque.o sort.o trimcheck.o date_and_tim.o volume.o wgauss.o w0gauss.o w1gauss.o deviatoric.o customize_signals.o qmmm_aux.o sockets.o allocate_fft_3drism.o chempot.o chempot_lauerism.o closure.o corrdipole_laue.o correctat0_vv.o corrgxy0_laue.o cryst_to_car_2d.o data_structure_3drism.o do_1drism.o do_3drism.o do_lauerism.o eqn_1drism.o eqn_3drism.o eqn_lauedipole.o eqn_lauegxy0.o eqn_lauelong.o eqn_lauerism.o eqn_laueshort.o eqn_lauevoid.o err_rism.o guess_3drism.o init_1drism.o init_3drism.o input_1drism.o input_3drism.o io_rism_xml.o lauefft.o lauefft_subs.o lj_forcefield.o lj_solute.o molecorr_vv.o molebridge_vv.o molecule_const.o molecule_types.o mp_rism.o mp_swap_ax_rism.o normalize_lauerism.o plot_rism.o potential_3drism.o potential_esm.o potential_vv.o print_chempot_3drism.o print_chempot_lauerism.o print_chempot_vv.o print_corr_vv.o print_solvavg.o radfft.o read_mol.o read_solv.o recvec_3drism.o rism.o rism1d_facade.o rism3d_facade.o rms_residual.o scale_fft_3drism.o scale_fft_lauerism.o solute.o solvation_3drism.o solvation_esm.o solvation_force.o solvation_lauerism.o solvation_pbc.o solvation_stress.o solvavg.o solvmol.o summary_1drism.o summary_3drism.o suscept_g0.o suscept_laue.o suscept_laueint.o suscept_vv.o write_rism_type.o xml_io_rism.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqemod.a\na - additional_kpoints.o\na - atomic_wfc_mod.o\na - autopilot.o\na - ions_nose.o\na - cell_nose.o\na - basic_algebra_routines.o\na - becmod.o\na - bfgs_module.o\na - bspline.o\na - bz_form.o\na - cell_base.o\na - check_stop.o\na - command_line_options.o\na - compute_dipole.o\na - constants.o\na - constraints_module.o\na - control_flags.o\na - coulomb_vcut.o\na - dist.o\na - electrons_base.o\na - environ_base_module.o\na - environment.o\na - extffield.o\na - fd_gradient.o\na - fft_base.o\na - fft_rho.o\na - fft_wave.o\na - fsockets.o\na - funct.o\na - generate_function.o\na - gradutils.o\na - gvecw.o\na - input_parameters.o\na - invmat.o\na - io_files.o\na - io_global.o\na - ions_base.o\na - kind.o\na - lmdif.o\na - makov_payne.o\na - mdiis.o\na - mm_dispersion.o\na - mp_bands.o\na - mp_exx.o\na - mp_global.o\na - mp_images.o\na - mp_pools.o\na - mp_wave.o\na - mp_world.o\na - noncol.o\na - open_close_input_file.o\na - parameters.o\na - parser.o\na - plugin_flags.o\na - plugin_arguments.o\na - plugin_variables.o\na - printout_base.o\na - pw_dot.o\na - qmmm.o\na - random_numbers.o\na - read_cards.o\na - read_input.o\na - read_namelists.o\na - read_pseudo.o\na - recvec.o\na - recvec_subs.o\na - run_info.o\na - space_group.o\na - set_para_diag.o\na - set_signal.o\na - set_vdw_corr.o\na - copy_order_um_from_xml.o\na - setqf.o\na - timestep.o\na - tsvdw.o\na - mbdlib.o\na - version.o\na - wannier_gw.o\na - wannier_new.o\na - wavefunctions.o\na - ws_base.o\na - xc_vdW_DF.o\na - xc_rVV10.o\na - io_base.o\na - qes_types_module.o\na - qes_libs_module.o\na - qes_write_module.o\na - qes_read_module.o\na - qes_reset_module.o\na - qes_init_module.o\na - qes_bcast_module.o\na - qexsd.o\na - qexsd_copy.o\na - qexsd_init.o\na - qexsd_input.o\na - hdf5_qe.o\na - qeh5_module.o\na - fox_init_module.o\na - xsf.o\na - wyckoff.o\na - wypos.o\na - zvscal.o\na - wave_gauge.o\na - random_numbers_gpu.o\na - atom_weight.o\na - cryst_to_car.o\na - expint.o\na - generate_k_along_lines.o\na - has_xml.o\na - inpfile.o\na - int_to_char.o\na - latgen.o\na - linpack.o\na - plot_io.o\na - radial_gradients.o\na - rgen.o\na - recips.o\na - remove_tot_torque.o\na - sort.o\na - trimcheck.o\na - date_and_tim.o\na - volume.o\na - wgauss.o\na - w0gauss.o\na - w1gauss.o\na - deviatoric.o\na - customize_signals.o\na - qmmm_aux.o\na - sockets.o\na - allocate_fft_3drism.o\na - chempot.o\na - chempot_lauerism.o\na - closure.o\na - corrdipole_laue.o\na - correctat0_vv.o\na - corrgxy0_laue.o\na - cryst_to_car_2d.o\na - data_structure_3drism.o\na - do_1drism.o\na - do_3drism.o\na - do_lauerism.o\na - eqn_1drism.o\na - eqn_3drism.o\na - eqn_lauedipole.o\na - eqn_lauegxy0.o\na - eqn_lauelong.o\na - eqn_lauerism.o\na - eqn_laueshort.o\na - eqn_lauevoid.o\na - err_rism.o\na - guess_3drism.o\na - init_1drism.o\na - init_3drism.o\na - input_1drism.o\na - input_3drism.o\na - io_rism_xml.o\na - lauefft.o\na - lauefft_subs.o\na - lj_forcefield.o\na - lj_solute.o\na - molecorr_vv.o\na - molebridge_vv.o\na - molecule_const.o\na - molecule_types.o\na - mp_rism.o\na - mp_swap_ax_rism.o\na - normalize_lauerism.o\na - plot_rism.o\na - potential_3drism.o\na - potential_esm.o\na - potential_vv.o\na - print_chempot_3drism.o\na - print_chempot_lauerism.o\na - print_chempot_vv.o\na - print_corr_vv.o\na - print_solvavg.o\na - radfft.o\na - read_mol.o\na - read_solv.o\na - recvec_3drism.o\na - rism.o\na - rism1d_facade.o\na - rism3d_facade.o\na - rms_residual.o\na - scale_fft_3drism.o\na - scale_fft_lauerism.o\na - solute.o\na - solvation_3drism.o\na - solvation_esm.o\na - solvation_force.o\na - solvation_lauerism.o\na - solvation_pbc.o\na - solvation_stress.o\na - solvavg.o\na - solvmol.o\na - summary_1drism.o\na - summary_3drism.o\na - suscept_g0.o\na - suscept_laue.o\na - suscept_laueint.o\na - suscept_vv.o\na - write_rism_type.o\na - xml_io_rism.o\nranlib libqemod.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/Modules'\n( cd dft-d3 ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c common.f90 -o common.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c sizes.f90 -o sizes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c pars.f90 -o pars.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c core.f90 -o core.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c api.f90 -o api.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c dftd3_qe.f90 -o dftd3_qe.o\nar ruv libdftd3qe.a common.o sizes.o pars.o core.o api.o dftd3_qe.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdftd3qe.a\na - common.o\na - sizes.o\na - pars.o\na - core.o\na - api.o\na - dftd3_qe.o\nranlib libdftd3qe.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nif test -d PW ; then \\\n( cd PW ; make pwlibs || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pwcom.f90 -o pwcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c start_k.f90 -o start_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c symm_base.f90 -o symm_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c extfield.f90 -o extfield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_enums.f90 -o oscdft_enums.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_indices.f90 -o oscdft_indices.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c buffers.f90 -o buffers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c atomic_wfc_mod.f90 -o atomic_wfc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_us_2.f90 -o init_us_2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c allocate_locpot.f90 -o allocate_locpot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c allocate_wfc.f90 -o allocate_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c starting_scf_mod.f90 -o starting_scf_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c atomic_wfc.f90 -o atomic_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c acfdt_in_pw.f90 -o acfdt_in_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c bp_mod.f90 -o bp_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c bp_strings.f90 -o bp_strings.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c Coul_cut_2D.f90 -o Coul_cut_2D.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx_bp_utils.f90 -o exx_bp_utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c paw_onecenter.f90 -o paw_onecenter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c dynamics_module.f90 -o dynamics_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_dynamics.f90 -o fcp_dynamics.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_relaxation.f90 -o fcp_relaxation.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c martyna_tuckerman.f90 -o martyna_tuckerman.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c tetra.f90 -o tetra.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c two_chem.f90 -o two_chem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c g_psi_mod.f90 -o g_psi_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c c_phase_field.f90 -o c_phase_field.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c cdiagh.f90 -o cdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c paw_symmetry.f90 -o paw_symmetry.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c symme.f90 -o symme.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_deff.f90 -o compute_deff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_dip.f90 -o compute_dip.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_rho.f90 -o compute_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_qdipol.f90 -o compute_qdipol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_qdipol_so.f90 -o compute_qdipol_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_ux.f90 -o compute_ux.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c d_matrix.f90 -o d_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c divide_class.f90 -o divide_class.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c divide_class_so.f90 -o divide_class_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c divide_et_impera.f90 -o divide_et_impera.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c rotate_wfc.f90 -o rotate_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c efermig.f90 -o efermig.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c efermit.f90 -o efermit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c environ_io_stub.f90 -o environ_io_stub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c eqvect.f90 -o eqvect.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ewald.f90 -o ewald.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ewald_dipole.f90 -o ewald_dipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_dyn_calcavg.f90 -o fcp_dyn_calcavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_dyn_printavg.f90 -o fcp_dyn_printavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_hessian.f90 -o fcp_hessian.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c find_group.f90 -o find_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c forces_bp_efield.f90 -o forces_bp_efield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_ew.f90 -o force_ew.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c g_psi.f90 -o g_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gen_at_dj.f90 -o gen_at_dj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gen_at_dy.f90 -o gen_at_dy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c get_locals.f90 -o get_locals.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gk_sort.f90 -o gk_sort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gradcorr.f90 -o gradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gweights.f90 -o gweights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c g2_kin.f90 -o g2_kin.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hs_psi.f90 -o hs_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c h_epsi_her_apply.f90 -o h_epsi_her_apply.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c h_epsi_her_set.f90 -o h_epsi_her_set.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c irreducible_BZ.f90 -o irreducible_BZ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c iweights.f90 -o iweights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c kpoint_grid.f90 -o kpoint_grid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c lchk_tauxk.f90 -o lchk_tauxk.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c make_pointlists.f90 -o make_pointlists.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c manypw.f90 -o manypw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c multable.f90 -o multable.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c n_plane_waves.f90 -o n_plane_waves.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c new_occ.f90 -o new_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c orthoatwfc.f90 -o orthoatwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c output_tau.f90 -o output_tau.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c para.f90 -o para.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_print_energies.f90 -o plugin_print_energies.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_init_ions.f90 -o plugin_init_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_init_cell.f90 -o plugin_init_cell.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_init_potential.f90 -o plugin_init_potential.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_initbase.f90 -o plugin_initbase.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_clean.f90 -o plugin_clean.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_check.f90 -o plugin_check.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_clock.f90 -o plugin_clock.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_summary.f90 -o plugin_summary.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_initialization.f90 -o plugin_initialization.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_ext_forces.f90 -o plugin_ext_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_int_forces.f90 -o plugin_int_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_read_input.f90 -o plugin_read_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw_init_qexsd_input.f90 -o pw_init_qexsd_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw2blip.f90 -o pw2blip.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw2casino.f90 -o pw2casino.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c rdiagh.f90 -o rdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c read_conf_from_file.f90 -o read_conf_from_file.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c rho2zeta.f90 -o rho2zeta.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ruotaijk.f90 -o ruotaijk.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c save_in_cbands.f90 -o save_in_cbands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_kplusq.f90 -o set_kplusq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_kup_and_kdw.f90 -o set_kup_and_kdw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_occupations.f90 -o set_occupations.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_spin_vars.f90 -o set_spin_vars.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_vrs.f90 -o set_vrs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stop_run.f90 -o stop_run.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_ewa.f90 -o stres_ewa.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_knl.f90 -o stres_knl.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_us.f90 -o stres_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_nonloc_dft.f90 -o stres_nonloc_dft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c struct_fact.f90 -o struct_fact.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c sumkg.f90 -o sumkg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c sumkt.f90 -o sumkt.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c symmetrize_at.f90 -o symmetrize_at.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c transform_becsum_so.f90 -o transform_becsum_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c transform_becsum_nc.f90 -o transform_becsum_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c trnvecc.f90 -o trnvecc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vcsmd.f90 -o vcsmd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vcsubs.f90 -o vcsubs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vloc_psi_tg.f90 -o vloc_psi_tg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vloc_psi_acc.f90 -o vloc_psi_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c utils.f90 -o utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wsweight.f90 -o wsweight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ortho_wfc.f90 -o ortho_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wannier_init.f90 -o wannier_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wannier_check.f90 -o wannier_check.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wannier_occ.f90 -o wannier_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c d3hess_mod.f90 -o d3hess_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c utils_gpu.f90 -o utils_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c a2fmod.f90 -o a2fmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_bfield.f90 -o add_bfield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_efield.f90 -o add_efield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_dmft_occ.f90 -o add_dmft_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_vuspsi.f90 -o add_vuspsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_vuspsi_acc.f90 -o add_vuspsi_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_gatefield.f90 -o add_gatefield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_paw_to_deeq.f90 -o add_paw_to_deeq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_paw_to_deeq_acc.f90 -o add_paw_to_deeq_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_wavefunction.f90 -o oscdft_wavefunction.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_input.f90 -o oscdft_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c atomic_rho.f90 -o atomic_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c bp_c_phase.f90 -o bp_c_phase.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx_base.f90 -o exx_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c paw_exx.f90 -o paw_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_us.f90 -o force_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c print_ks_energies.f90 -o print_ks_energies.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c save_in_electrons.f90 -o save_in_electrons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_forces.f90 -o oscdft_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_context.f90 -o oscdft_context.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_common_mod.f90 -o esm_common_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_base.f90 -o oscdft_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_wavefunction_subs.f90 -o oscdft_wavefunction_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_occupations.f90 -o oscdft_occupations.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_wfcO.f90 -o oscdft_wfcO.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_functions_gpu.f90 -o oscdft_functions_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_functions.f90 -o oscdft_functions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_forces_subs.f90 -o oscdft_forces_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ldaU.f90 -o ldaU.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c restart_in_electrons.f90 -o restart_in_electrons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c scf_mod.f90 -o scf_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c average_pp.f90 -o average_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c close_files.f90 -o close_files.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c commutator_Hx_psi.f90 -o commutator_Hx_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hubbard.f90 -o hubbard.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_q_aeps.f90 -o init_q_aeps.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c intersite_V.f90 -o intersite_V.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c new_nsb.f90 -o new_nsb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c new_nsg.f90 -o new_nsg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ns_adj.f90 -o ns_adj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c offset_atom_wfc.f90 -o offset_atom_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c openfil.f90 -o openfil.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c orthoUwfc.f90 -o orthoUwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_scf_energy.f90 -o plugin_scf_energy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_scf_potential.f90 -o plugin_scf_potential.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plus_u_full.f90 -o plus_u_full.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c remove_atomic_rho.f90 -o remove_atomic_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c report_mag.f90 -o report_mag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_rhoc.f90 -o set_rhoc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_cc.f90 -o stres_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_gradcorr.f90 -o stres_gradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_har.f90 -o stres_har.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_hub.f90 -o stres_hub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_mgga.f90 -o stres_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c usnldiag.f90 -o usnldiag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c v_hubbard.f90 -o v_hubbard.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vhpsi.f90 -o vhpsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vhpsi_U.f90 -o vhpsi_U.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c write_ns.f90 -o write_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wannier_clean.f90 -o wannier_clean.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_extended.f90 -o oscdft_extended.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_vhub_to_deeq.f90 -o add_vhub_to_deeq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_vhub_to_deeq_acc.f90 -o add_vhub_to_deeq_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c realus.f90 -o realus.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c allocate_fft.f90 -o allocate_fft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c beef.f90 -o beef.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_ewald_mod.f90 -o esm_ewald_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_force_mod.f90 -o esm_force_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_hartree_mod.f90 -o esm_hartree_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_local_mod.f90 -o esm_local_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_stres_mod.f90 -o esm_stres_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c xdm_dispersion.f90 -o xdm_dispersion.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c sic.f90 -o sic.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c orbm_kubo.f90 -o orbm_kubo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c paw_init.f90 -o paw_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c commutator_Vhubx_psi.f90 -o commutator_Vhubx_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c data_structure.f90 -o data_structure.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c update_pot.f90 -o update_pot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c io_rho_xml.f90 -o io_rho_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c printpot.f90 -o printpot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_cc.f90 -o force_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_corr.f90 -o force_corr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_hub.f90 -o force_hub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hs_1psi.f90 -o hs_1psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c h_psi_meta.f90 -o h_psi_meta.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hinit0.f90 -o hinit0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_ns.f90 -o init_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_nsg.f90 -o init_nsg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c new_ns.f90 -o new_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c s_1psi.f90 -o s_1psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c s_psi.f90 -o s_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c addusdens.f90 -o addusdens.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c addusforce.f90 -o addusforce.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c addusstress.f90 -o addusstress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c newd_acc.f90 -o newd_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm.f90 -o esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c us_exx.f90 -o us_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c scissor.f90 -o scissor.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c run_driver.f90 -o run_driver.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c environ_pw_module.f90 -o environ_pw_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_capacitance.f90 -o fcp_capacitance.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_lc.f90 -o force_lc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_vloc.f90 -o init_vloc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_loc.f90 -o stres_loc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c v_of_rho.f90 -o v_of_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx_bp.f90 -o exx_bp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx_std.f90 -o exx_std.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c rism_module.f90 -o rism_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_becsum.f90 -o compute_becsum.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_module.f90 -o fcp_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c forces.f90 -o forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_run.f90 -o init_run.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c potinit.f90 -o potinit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c print_clock_pw.f90 -o print_clock_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_qexsd_step.f90 -o add_qexsd_step.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c setlocal.f90 -o setlocal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gcscf_module.f90 -o gcscf_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_input.f90 -o fcp_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c move_ions.f90 -o move_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c mix_rho.f90 -o mix_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gcscf_input.f90 -o gcscf_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c sum_band.f90 -o sum_band.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c weights.f90 -o weights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx.f90 -o exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hinit1.f90 -o hinit1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw_restart_new.f90 -o pw_restart_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c clean_pw.f90 -o clean_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c loc_scdm.f90 -o loc_scdm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c h_psi.f90 -o h_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c memory_report.f90 -o memory_report.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c non_scf.f90 -o non_scf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw2casino_write.f90 -o pw2casino_write.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c run_pwscf.f90 -o run_pwscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c scale_h.f90 -o scale_h.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stress.f90 -o stress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c summary.f90 -o summary.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c loc_scdm_k.f90 -o loc_scdm_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c input.f90 -o input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c punch.f90 -o punch.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c read_file_new.f90 -o read_file_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wfcinit.f90 -o wfcinit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c diag_direct.f90 -o diag_direct.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c electrons.f90 -o electrons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c c_bands.f90 -o c_bands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c setup.f90 -o setup.o\nar ruv libpw.a a2fmod.o add_bfield.o add_efield.o add_dmft_occ.o add_vuspsi.o add_vuspsi_acc.o add_gatefield.o add_paw_to_deeq.o add_paw_to_deeq_acc.o add_vhub_to_deeq.o add_vhub_to_deeq_acc.o addusdens.o addusforce.o addusstress.o allocate_fft.o allocate_locpot.o allocate_wfc.o atomic_rho.o atomic_wfc.o atomic_wfc_mod.o average_pp.o acfdt_in_pw.o newd_acc.o beef.o bp_mod.o bp_c_phase.o bp_strings.o buffers.o c_bands.o c_phase_field.o orbm_kubo.o cdiagh.o clean_pw.o close_files.o commutator_Hx_psi.o commutator_Vhubx_psi.o compute_becsum.o compute_deff.o compute_dip.o compute_rho.o compute_qdipol.o compute_qdipol_so.o compute_ux.o Coul_cut_2D.o d_matrix.o data_structure.o diag_direct.o divide_class.o divide_class_so.o divide_et_impera.o rotate_wfc.o run_driver.o dynamics_module.o efermig.o efermit.o electrons.o environ_pw_module.o eqvect.o esm.o esm_common_mod.o esm_ewald_mod.o esm_force_mod.o esm_hartree_mod.o esm_local_mod.o esm_stres_mod.o ewald.o ewald_dipole.o extfield.o exx_base.o exx.o exx_std.o exx_bp_utils.o exx_bp.o fcp_capacitance.o fcp_dyn_calcavg.o fcp_dyn_printavg.o fcp_dynamics.o fcp_hessian.o fcp_input.o fcp_module.o fcp_relaxation.o find_group.o forces_bp_efield.o force_cc.o force_corr.o force_ew.o force_hub.o force_lc.o force_us.o forces.o g_psi.o g_psi_mod.o gcscf_input.o gcscf_module.o gen_at_dj.o gen_at_dy.o get_locals.o gk_sort.o gradcorr.o gweights.o g2_kin.o hs_psi.o hs_1psi.o h_epsi_her_apply.o h_epsi_her_set.o h_psi.o h_psi_meta.o hinit0.o hinit1.o hubbard.o init_ns.o init_q_aeps.o init_run.o init_us_2.o init_vloc.o input.o io_rho_xml.o irreducible_BZ.o iweights.o intersite_V.o init_nsg.o start_k.o kpoint_grid.o lchk_tauxk.o ldaU.o make_pointlists.o manypw.o martyna_tuckerman.o memory_report.o mix_rho.o move_ions.o multable.o n_plane_waves.o new_ns.o new_nsb.o new_nsg.o new_occ.o ns_adj.o non_scf.o offset_atom_wfc.o openfil.o orthoatwfc.o orthoUwfc.o output_tau.o para.o paw_exx.o paw_init.o paw_onecenter.o paw_symmetry.o plugin_print_energies.o plugin_scf_energy.o plugin_scf_potential.o plugin_init_ions.o plugin_init_cell.o plugin_init_potential.o plugin_initbase.o plugin_clean.o plugin_check.o plugin_clock.o plugin_summary.o plugin_initialization.o plugin_ext_forces.o plugin_int_forces.o plugin_read_input.o plus_u_full.o potinit.o print_clock_pw.o print_ks_energies.o printpot.o punch.o pw_restart_new.o add_qexsd_step.o pw_init_qexsd_input.o pwcom.o pw2blip.o pw2casino.o pw2casino_write.o rdiagh.o read_conf_from_file.o read_file_new.o realus.o remove_atomic_rho.o report_mag.o restart_in_electrons.o rho2zeta.o rism_module.o ruotaijk.o run_pwscf.o s_1psi.o s_psi.o save_in_cbands.o save_in_electrons.o scale_h.o loc_scdm.o loc_scdm_k.o scf_mod.o set_kplusq.o set_kup_and_kdw.o set_occupations.o set_rhoc.o set_spin_vars.o set_vrs.o setlocal.o setup.o scissor.o sic.o starting_scf_mod.o stop_run.o stres_cc.o stres_ewa.o stres_gradcorr.o stres_har.o stres_hub.o stres_knl.o stres_loc.o stres_us.o stres_nonloc_dft.o stres_mgga.o stress.o struct_fact.o sum_band.o sumkg.o sumkt.o summary.o symme.o symm_base.o symmetrize_at.o tetra.o transform_becsum_so.o transform_becsum_nc.o trnvecc.o two_chem.o update_pot.o us_exx.o usnldiag.o v_hubbard.o v_of_rho.o vcsmd.o vcsubs.o vhpsi.o vhpsi_U.o vloc_psi_tg.o vloc_psi_acc.o utils.o xdm_dispersion.o wfcinit.o write_ns.o wsweight.o weights.o ortho_wfc.o wannier_init.o wannier_check.o wannier_clean.o wannier_occ.o oscdft_input.o oscdft_context.o oscdft_base.o oscdft_enums.o oscdft_indices.o oscdft_wavefunction.o oscdft_wavefunction_subs.o oscdft_functions.o oscdft_occupations.o oscdft_wfcO.o oscdft_forces.o oscdft_forces_subs.o oscdft_extended.o d3hess_mod.o utils_gpu.o oscdft_functions_gpu.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libpw.a\na - a2fmod.o\na - add_bfield.o\na - add_efield.o\na - add_dmft_occ.o\na - add_vuspsi.o\na - add_vuspsi_acc.o\na - add_gatefield.o\na - add_paw_to_deeq.o\na - add_paw_to_deeq_acc.o\na - add_vhub_to_deeq.o\na - add_vhub_to_deeq_acc.o\na - addusdens.o\na - addusforce.o\na - addusstress.o\na - allocate_fft.o\na - allocate_locpot.o\na - allocate_wfc.o\na - atomic_rho.o\na - atomic_wfc.o\na - atomic_wfc_mod.o\na - average_pp.o\na - acfdt_in_pw.o\na - newd_acc.o\na - beef.o\na - bp_mod.o\na - bp_c_phase.o\na - bp_strings.o\na - buffers.o\na - c_bands.o\na - c_phase_field.o\na - orbm_kubo.o\na - cdiagh.o\na - clean_pw.o\na - close_files.o\na - commutator_Hx_psi.o\na - commutator_Vhubx_psi.o\na - compute_becsum.o\na - compute_deff.o\na - compute_dip.o\na - compute_rho.o\na - compute_qdipol.o\na - compute_qdipol_so.o\na - compute_ux.o\na - Coul_cut_2D.o\na - d_matrix.o\na - data_structure.o\na - diag_direct.o\na - divide_class.o\na - divide_class_so.o\na - divide_et_impera.o\na - rotate_wfc.o\na - run_driver.o\na - dynamics_module.o\na - efermig.o\na - efermit.o\na - electrons.o\na - environ_pw_module.o\na - eqvect.o\na - esm.o\na - esm_common_mod.o\na - esm_ewald_mod.o\na - esm_force_mod.o\na - esm_hartree_mod.o\na - esm_local_mod.o\na - esm_stres_mod.o\na - ewald.o\na - ewald_dipole.o\na - extfield.o\na - exx_base.o\na - exx.o\na - exx_std.o\na - exx_bp_utils.o\na - exx_bp.o\na - fcp_capacitance.o\na - fcp_dyn_calcavg.o\na - fcp_dyn_printavg.o\na - fcp_dynamics.o\na - fcp_hessian.o\na - fcp_input.o\na - fcp_module.o\na - fcp_relaxation.o\na - find_group.o\na - forces_bp_efield.o\na - force_cc.o\na - force_corr.o\na - force_ew.o\na - force_hub.o\na - force_lc.o\na - force_us.o\na - forces.o\na - g_psi.o\na - g_psi_mod.o\na - gcscf_input.o\na - gcscf_module.o\na - gen_at_dj.o\na - gen_at_dy.o\na - get_locals.o\na - gk_sort.o\na - gradcorr.o\na - gweights.o\na - g2_kin.o\na - hs_psi.o\na - hs_1psi.o\na - h_epsi_her_apply.o\na - h_epsi_her_set.o\na - h_psi.o\na - h_psi_meta.o\na - hinit0.o\na - hinit1.o\na - hubbard.o\na - init_ns.o\na - init_q_aeps.o\na - init_run.o\na - init_us_2.o\na - init_vloc.o\na - input.o\na - io_rho_xml.o\na - irreducible_BZ.o\na - iweights.o\na - intersite_V.o\na - init_nsg.o\na - start_k.o\na - kpoint_grid.o\na - lchk_tauxk.o\na - ldaU.o\na - make_pointlists.o\na - manypw.o\na - martyna_tuckerman.o\na - memory_report.o\na - mix_rho.o\na - move_ions.o\na - multable.o\na - n_plane_waves.o\na - new_ns.o\na - new_nsb.o\na - new_nsg.o\na - new_occ.o\na - ns_adj.o\na - non_scf.o\na - offset_atom_wfc.o\na - openfil.o\na - orthoatwfc.o\na - orthoUwfc.o\na - output_tau.o\na - para.o\na - paw_exx.o\na - paw_init.o\na - paw_onecenter.o\na - paw_symmetry.o\na - plugin_print_energies.o\na - plugin_scf_energy.o\na - plugin_scf_potential.o\na - plugin_init_ions.o\na - plugin_init_cell.o\na - plugin_init_potential.o\na - plugin_initbase.o\na - plugin_clean.o\na - plugin_check.o\na - plugin_clock.o\na - plugin_summary.o\na - plugin_initialization.o\na - plugin_ext_forces.o\na - plugin_int_forces.o\na - plugin_read_input.o\na - plus_u_full.o\na - potinit.o\na - print_clock_pw.o\na - print_ks_energies.o\na - printpot.o\na - punch.o\na - pw_restart_new.o\na - add_qexsd_step.o\na - pw_init_qexsd_input.o\na - pwcom.o\na - pw2blip.o\na - pw2casino.o\na - pw2casino_write.o\na - rdiagh.o\na - read_conf_from_file.o\na - read_file_new.o\na - realus.o\na - remove_atomic_rho.o\na - report_mag.o\na - restart_in_electrons.o\na - rho2zeta.o\na - rism_module.o\na - ruotaijk.o\na - run_pwscf.o\na - s_1psi.o\na - s_psi.o\na - save_in_cbands.o\na - save_in_electrons.o\na - scale_h.o\na - loc_scdm.o\na - loc_scdm_k.o\na - scf_mod.o\na - set_kplusq.o\na - set_kup_and_kdw.o\na - set_occupations.o\na - set_rhoc.o\na - set_spin_vars.o\na - set_vrs.o\na - setlocal.o\na - setup.o\na - scissor.o\na - sic.o\na - starting_scf_mod.o\na - stop_run.o\na - stres_cc.o\na - stres_ewa.o\na - stres_gradcorr.o\na - stres_har.o\na - stres_hub.o\na - stres_knl.o\na - stres_loc.o\na - stres_us.o\na - stres_nonloc_dft.o\na - stres_mgga.o\na - stress.o\na - struct_fact.o\na - sum_band.o\na - sumkg.o\na - sumkt.o\na - summary.o\na - symme.o\na - symm_base.o\na - symmetrize_at.o\na - tetra.o\na - transform_becsum_so.o\na - transform_becsum_nc.o\na - trnvecc.o\na - two_chem.o\na - update_pot.o\na - us_exx.o\na - usnldiag.o\na - v_hubbard.o\na - v_of_rho.o\na - vcsmd.o\na - vcsubs.o\na - vhpsi.o\na - vhpsi_U.o\na - vloc_psi_tg.o\na - vloc_psi_acc.o\na - utils.o\na - xdm_dispersion.o\na - wfcinit.o\na - write_ns.o\na - wsweight.o\na - weights.o\na - ortho_wfc.o\na - wannier_init.o\na - wannier_check.o\na - wannier_clean.o\na - wannier_occ.o\na - oscdft_input.o\na - oscdft_context.o\na - oscdft_base.o\na - oscdft_enums.o\na - oscdft_indices.o\na - oscdft_wavefunction.o\na - oscdft_wavefunction_subs.o\na - oscdft_functions.o\na - oscdft_occupations.o\na - oscdft_wfcO.o\na - oscdft_forces.o\na - oscdft_forces_subs.o\na - oscdft_extended.o\na - d3hess_mod.o\na - utils_gpu.o\na - oscdft_functions_gpu.o\nranlib libpw.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\nif test -d PW ; then \\\n( cd PW ; make all || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[2]: 'libpw.a' is up to date.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\n( cd src ; make all || exit 1 )\n( cd tools ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/tools'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c ev.f90 -o ev.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c kpoints.f90 -o kpoints.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c pwi2xsf.f90 -o pwi2xsf.o\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pwscf.f90 -o pwscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c ibrav2cell.f90 -o ibrav2cell.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c cell2ibrav.f90 -o cell2ibrav.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pw.x \\\n pwscf.o libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c scan_ibrav.f90 -o scan_ibrav.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c rism1d.f90 -o rism1d.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o kpoints.x \\\n\tkpoints.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pwi2xsf.x \\\n\tpwi2xsf.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ibrav2cell.x \\\n\tibrav2cell.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin; ln -fs ../PW/src/pw.x . ; \\\n ln -fs ../PW/src/pw.x dist.x ; ln -fs ../PW/src/pw.x manypw.x ; )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o cell2ibrav.x \\\n\tcell2ibrav.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/kpoints.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o scan_ibrav.x \\\n\tscan_ibrav.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/pwi2xsf.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o rism1d.x \\\n\trism1d.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/ibrav2cell.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ev.x \\\n\tev.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/cell2ibrav.x . )\n( cd ../../bin ; ln -fs ../PW/tools/scan_ibrav.x . )\n( cd ../../bin ; ln -fs ../PW/tools/rism1d.x . )\n( cd ../../bin ; ln -fs ../PW/tools/ev.x . )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/tools'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\ntest -d bin || mkdir bin\n( cd UtilXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libdevx || exit 1 )\n( cd FFTXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libmbd || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\n( cd src ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/devxlib/make_devx; then \\\nmkdir -p /kaggle/working/q-e-qe-7.6/devxlib/src ; \\\ncd /kaggle/working/q-e-qe-7.6/external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.6/make.inc ../; \\\n( make all && touch /kaggle/working/q-e-qe-7.6/devxlib/make_devx ) ; \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/devxlib/src/ ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\n( cd XClib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/MBD/make_mbd; then \\\n mkdir /kaggle/working/q-e-qe-7.6/MBD; \\\n cd /kaggle/working/q-e-qe-7.6/external/mbd/src; \\\n export FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include \"; \\\n (make -f ../../mbd.make && touch /kaggle/working/q-e-qe-7.6/MBD/make_mbd); \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/MBD; fi\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\n( cd LAXlib ; make all || exit 1 )\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\n( cd upflib ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/LAXlib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/LAXlib'\n( cd KS_Solvers ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/upflib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/upflib'\n( cd Modules ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/Modules'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/Modules'\n( cd dft-d3 ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nif test -d Direct ; then \\\n ( cd Direct ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d PW ; then \\\n( cd PW ; make pwlibs || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[2]: 'libpw.a' is up to date.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd LR_Modules ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/LR_Modules'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lrcom.f90 -o lrcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c apply_dpot.f90 -o apply_dpot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c apply_dpot_mod.f90 -o apply_dpot_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c apply_trev.f90 -o apply_trev.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c addusldos.f90 -o addusldos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c adddvepsi_us.f90 -o adddvepsi_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c c_bands_ph.f90 -o c_bands_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c cgsolve_all.f90 -o cgsolve_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c ccgsolve_all.f90 -o ccgsolve_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c cg_psi.f90 -o cg_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c ccg_psi.f90 -o ccg_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c check_q_points_sym.f90 -o check_q_points_sym.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dfpt_type.f90 -o dfpt_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dynmat_sub.f90 -o dynmat_sub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dgradcorr.f90 -o dgradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dv_rVV10.f90 -o dv_rVV10.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dv_vdW_DF.f90 -o dv_vdW_DF.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c non_scf_ph.f90 -o non_scf_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_intq_nc.f90 -o set_intq_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_sym_mod.f90 -o lr_sym_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c sym_def.f90 -o sym_def.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c psymdvscf.f90 -o psymdvscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c symdvscf.f90 -o symdvscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c sym_dmag.f90 -o sym_dmag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c orthogonalize_omega.f90 -o orthogonalize_omega.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_nscf.f90 -o setup_nscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_dbecsum_nc.f90 -o set_dbecsum_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_int3_nc.f90 -o set_int3_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_kplusq_nc.f90 -o set_kplusq_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c smallgq.f90 -o smallgq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_dgc.f90 -o setup_dgc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c compute_vsgga.f90 -o compute_vsgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_dmuxc.f90 -o setup_dmuxc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_nbnd_occ.f90 -o setup_nbnd_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c sgam_lr.f90 -o sgam_lr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c star_q.f90 -o star_q.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setqmod.f90 -o setqmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c qdipol_cryst.f90 -o qdipol_cryst.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c mode_group.f90 -o mode_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c mix_pot.f90 -o mix_pot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_nc_mag.f90 -o lr_nc_mag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_restart.f90 -o lr_restart.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lanczos_nonhermitian.f90 -o lanczos_nonhermitian.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lanczos_pseudohermitian.f90 -o lanczos_pseudohermitian.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lanczos_pseudohermitian_c.f90 -o lanczos_pseudohermitian_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lanczos_nonhermitian_c.f90 -o lanczos_nonhermitian_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c qpoint.f90 -o qpoint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dnonloccorr.f90 -o dnonloccorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c adddvscf.f90 -o adddvscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c adddvhubscf.f90 -o adddvhubscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c addusdbec.f90 -o addusdbec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c addusdbec_nc.f90 -o addusdbec_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c cft_wave.f90 -o cft_wave.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c ch_psi_all.f90 -o ch_psi_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c ch_psi_all_complex.f90 -o ch_psi_all_complex.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c Coul_cut_2D_ph.f90 -o Coul_cut_2D_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dfpt_tetra_mod.f90 -o dfpt_tetra_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c incdrhoscf_mod.f90 -o incdrhoscf_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c h_prec.f90 -o h_prec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c h_prec_freq.f90 -o h_prec_freq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dv_of_drho.f90 -o dv_of_drho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c newdq.f90 -o newdq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c sym_dns.f90 -o sym_dns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_sm1_psi.f90 -o lr_sm1_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_addusddens.f90 -o lr_addusddens.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_small_group_of_q.f90 -o set_small_group_of_q.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_orthoUwfc.f90 -o lr_orthoUwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_dot.f90 -o lr_dot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_dot_magnons.f90 -o lr_dot_magnons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_sym_paw.f90 -o lr_sym_paw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c response_kernels.f90 -o response_kernels.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c efermi_shift.f90 -o efermi_shift.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c localdos.f90 -o localdos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c orthogonalize.f90 -o orthogonalize.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_alpha_pv.f90 -o setup_alpha_pv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_two_chem.f90 -o lr_two_chem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dnsq_scf.f90 -o dnsq_scf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c twochem_postproc_dfpt.f90 -o twochem_postproc_dfpt.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dfpt_kernels.f90 -o dfpt_kernels.o\nar ruv liblrmod.a adddvscf.o adddvhubscf.o addusdbec.o addusdbec_nc.o apply_dpot.o apply_dpot_mod.o apply_trev.o addusldos.o adddvepsi_us.o c_bands_ph.o cft_wave.o cgsolve_all.o ccgsolve_all.o cg_psi.o ccg_psi.o ch_psi_all.o ch_psi_all_complex.o Coul_cut_2D_ph.o check_q_points_sym.o dnsq_scf.o dfpt_tetra_mod.o dfpt_type.o dynmat_sub.o h_prec.o h_prec_freq.o incdrhoscf_mod.o dv_of_drho.o dgradcorr.o dnonloccorr.o dv_vdW_DF.o dv_rVV10.o newdq.o non_scf_ph.o set_intq_nc.o lr_sym_mod.o sym_def.o psymdvscf.o sym_dns.o symdvscf.o sym_dmag.o orthogonalize.o orthogonalize_omega.o setup_nscf.o set_dbecsum_nc.o set_int3_nc.o set_kplusq_nc.o smallgq.o lr_sm1_psi.o lr_addusddens.o localdos.o setup_dgc.o compute_vsgga.o setup_dmuxc.o setup_nbnd_occ.o setup_alpha_pv.o set_small_group_of_q.o sgam_lr.o star_q.o setqmod.o lr_orthoUwfc.o qdipol_cryst.o mode_group.o mix_pot.o lrcom.o qpoint.o lr_dot.o lr_dot_magnons.o lr_nc_mag.o lr_two_chem.o twochem_postproc_dfpt.o lr_sym_paw.o lr_restart.o lanczos_nonhermitian.o lanczos_pseudohermitian.o lanczos_pseudohermitian_c.o lanczos_nonhermitian_c.o response_kernels.o efermi_shift.o dfpt_kernels.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating liblrmod.a\na - adddvscf.o\na - adddvhubscf.o\na - addusdbec.o\na - addusdbec_nc.o\na - apply_dpot.o\na - apply_dpot_mod.o\na - apply_trev.o\na - addusldos.o\na - adddvepsi_us.o\na - c_bands_ph.o\na - cft_wave.o\na - cgsolve_all.o\na - ccgsolve_all.o\na - cg_psi.o\na - ccg_psi.o\na - ch_psi_all.o\na - ch_psi_all_complex.o\na - Coul_cut_2D_ph.o\na - check_q_points_sym.o\na - dnsq_scf.o\na - dfpt_tetra_mod.o\na - dfpt_type.o\na - dynmat_sub.o\na - h_prec.o\na - h_prec_freq.o\na - incdrhoscf_mod.o\na - dv_of_drho.o\na - dgradcorr.o\na - dnonloccorr.o\na - dv_vdW_DF.o\na - dv_rVV10.o\na - newdq.o\na - non_scf_ph.o\na - set_intq_nc.o\na - lr_sym_mod.o\na - sym_def.o\na - psymdvscf.o\na - sym_dns.o\na - symdvscf.o\na - sym_dmag.o\na - orthogonalize.o\na - orthogonalize_omega.o\na - setup_nscf.o\na - set_dbecsum_nc.o\na - set_int3_nc.o\na - set_kplusq_nc.o\na - smallgq.o\na - lr_sm1_psi.o\na - lr_addusddens.o\na - localdos.o\na - setup_dgc.o\na - compute_vsgga.o\na - setup_dmuxc.o\na - setup_nbnd_occ.o\na - setup_alpha_pv.o\na - set_small_group_of_q.o\na - sgam_lr.o\na - star_q.o\na - setqmod.o\na - lr_orthoUwfc.o\na - qdipol_cryst.o\na - mode_group.o\na - mix_pot.o\na - lrcom.o\na - qpoint.o\na - lr_dot.o\na - lr_dot_magnons.o\na - lr_nc_mag.o\na - lr_two_chem.o\na - twochem_postproc_dfpt.o\na - lr_sym_paw.o\na - lr_restart.o\na - lanczos_nonhermitian.o\na - lanczos_pseudohermitian.o\na - lanczos_pseudohermitian_c.o\na - lanczos_nonhermitian_c.o\na - response_kernels.o\na - efermi_shift.o\na - dfpt_kernels.o\nranlib liblrmod.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/LR_Modules'\nif test -d PHonon; then \\\n( cd PHonon; make phlibs || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon'\n( cd PH ; make phlibs || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c acfdtest.f90 -o acfdtest.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phcom.f90 -o phcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c add_for_charges.f90 -o add_for_charges.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c elph.f90 -o elph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ramanm.f90 -o ramanm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dfile_autoname.f90 -o dfile_autoname.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cch_psi_all.f90 -o cch_psi_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c check_restart_recover.f90 -o check_restart_recover.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c clinear.f90 -o clinear.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_alphasum.f90 -o compute_alphasum.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_becalp.f90 -o compute_becalp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_becsum_ph.f90 -o compute_becsum_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_drhous.f90 -o compute_drhous.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_drhous_nc.f90 -o compute_drhous_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_dvloc.f90 -o compute_dvloc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_nldyn.f90 -o compute_nldyn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_weight.f90 -o compute_weight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c deallocate_part.f90 -o deallocate_part.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c deallocate_phq.f90 -o deallocate_phq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2ionq.f90 -o d2ionq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2nsq_bare.f90 -o d2nsq_bare.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dnsq_bare.f90 -o dnsq_bare.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dnsq_orth_set_irr.f90 -o dnsq_orth_set_irr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dnsq_store.f90 -o dnsq_store.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c davcio_drho.f90 -o davcio_drho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c elph_scdft_mod.f90 -o elph_scdft_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c io_dyn_mat.f90 -o io_dyn_mat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c io_dyn_mat_old.f90 -o io_dyn_mat_old.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rigid.f90 -o rigid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drho.f90 -o drho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodv.f90 -o drhodv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodvloc.f90 -o drhodvloc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodvnl.f90 -o drhodvnl.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodvus.f90 -o drhodvus.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvanqq.f90 -o dvanqq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvkb3.f90 -o dvkb3.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvpsi_e.f90 -o dvpsi_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvqpsi_us.f90 -o dvqpsi_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvqpsi_us_only.f90 -o dvqpsi_us_only.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dyndia.f90 -o dyndia.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_us.f90 -o dynmat_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmatcc.f90 -o dynmatcc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_hub_bare.f90 -o dynmat_hub_bare.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_hub_scf.f90 -o dynmat_hub_scf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dwfc.f90 -o dwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvqhub_barepsi_us.f90 -o dvqhub_barepsi_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvqhub_barepsi_us2.f90 -o dvqhub_barepsi_us2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c delta_sphi.f90 -o delta_sphi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dpsi_orth.f90 -o dpsi_orth.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c el_ph_collect.f90 -o el_ph_collect.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c find_equiv_sites.f90 -o find_equiv_sites.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c find_mode_sym.f90 -o find_mode_sym.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c find_irrep.f90 -o find_irrep.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c generate_dynamical_matrix_c.f90 -o generate_dynamical_matrix_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c generate_effective_charges_c.f90 -o generate_effective_charges_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c gmressolve_all.f90 -o gmressolve_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c incdrhous.f90 -o incdrhous.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c incdrhous_nc.f90 -o incdrhous_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c initialize_ph.f90 -o initialize_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c io_pattern.f90 -o io_pattern.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c obsolete.f90 -o obsolete.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_hub.f90 -o write_hub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_init.f90 -o phq_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_summary.f90 -o phq_summary.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ph_set_upert.f90 -o ph_set_upert.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c prepare_sym_analysis.f90 -o prepare_sym_analysis.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c psidspsi.f90 -o psidspsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c punch_plot_e.f90 -o punch_plot_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q2qstar_ph.f90 -o q2qstar_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c random_matrix.f90 -o random_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rotate_and_add_dyn.f90 -o rotate_and_add_dyn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rotate_pattern_add.f90 -o rotate_pattern_add.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_asr_c.f90 -o set_asr_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_drhoc.f90 -o set_drhoc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_int12_nc.f90 -o set_int12_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_irr.f90 -o set_irr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_irr_nosym.f90 -o set_irr_nosym.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_irr_sym.f90 -o set_irr_sym.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c setlocq.f90 -o setlocq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e_fpol.f90 -o solve_e_fpol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c summarize.f90 -o summarize.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c symdyn_munu.f90 -o symdyn_munu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c symdynph_gq.f90 -o symdynph_gq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c symm.f90 -o symm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c symmorphic_or_nzb.f90 -o symmorphic_or_nzb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c swfc.f90 -o swfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c sym_dns_wrapper.f90 -o sym_dns_wrapper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c transform_int_so.f90 -o transform_int_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c transform_int_nc.f90 -o transform_int_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c transform_alphasum_nc.f90 -o transform_alphasum_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c transform_alphasum_so.f90 -o transform_alphasum_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c tra_write_matrix.f90 -o tra_write_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c trntnsc.f90 -o trntnsc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_eigenvectors.f90 -o write_eigenvectors.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_epsilon_and_zeu.f90 -o write_epsilon_and_zeu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_qplot_data.f90 -o write_qplot_data.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_matrix.f90 -o write_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_modes.f90 -o write_modes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c zstar_eu_us.f90 -o zstar_eu_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c psyme2.f90 -o psyme2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c chi_test.f90 -o chi_test.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dielec_test.f90 -o dielec_test.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvpsi_e2.f90 -o dvpsi_e2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c hdiag.f90 -o hdiag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c pcgreen.f90 -o pcgreen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c syme2.f90 -o syme2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e_nscf.f90 -o solve_e_nscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_ramtns.f90 -o write_ramtns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2mxc.f90 -o d2mxc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c raman_mat.f90 -o raman_mat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dhdrhopsi.f90 -o dhdrhopsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_dvscf.f90 -o set_dvscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c add_dkmds.f90 -o add_dkmds.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c add_zstar_ue.f90 -o add_zstar_ue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c add_zstar_ue_us.f90 -o add_zstar_ue_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c addcore.f90 -o addcore.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_nlcc.f90 -o dynmat_nlcc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c addnlcc_zstar_eu_us.f90 -o addnlcc_zstar_eu_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c addusddens_pulay.f90 -o addusddens_pulay.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c addusdynmat.f90 -o addusdynmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c allocate_part.f90 -o allocate_part.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c allocate_pert.f90 -o allocate_pert.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c allocate_phq.f90 -o allocate_phq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c yambo.f90 -o yambo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ahc.f90 -o ahc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvscf_interpolate.f90 -o dvscf_interpolate.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dfile_star.f90 -o dfile_star.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c elph_tetra_mod.f90 -o elph_tetra_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c check_if_partial_dyn.f90 -o check_if_partial_dyn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ph_restart.f90 -o ph_restart.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c save_ph_input.f90 -o save_ph_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dnsq_orth.f90 -o dnsq_orth.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c do_q2r.f90 -o do_q2r.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ep_matrix_element_wannier.f90 -o ep_matrix_element_wannier.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c openfilq.f90 -o openfilq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phescf.f90 -o phescf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_recover.f90 -o phq_recover.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c polariz.f90 -o polariz.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c print_clock_ph.f90 -o print_clock_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c prepare_q.f90 -o prepare_q.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q_points_wannier.f90 -o q_points_wannier.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c read_wfc_rspace_and_fwfft.f90 -o read_wfc_rspace_and_fwfft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rotate_dvscf_star.f90 -o rotate_dvscf_star.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c run_nscf.f90 -o run_nscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c stop_ph.f90 -o stop_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c sym_and_write_zue.f90 -o sym_and_write_zue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c zstar_eu.f90 -o zstar_eu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dump_drho.f90 -o dump_drho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c el_opt.f90 -o el_opt.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c raman.f90 -o raman.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c bcast_ph_input.f90 -o bcast_ph_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c check_initial_status.f90 -o check_initial_status.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c clean_pw_ph.f90 -o clean_pw_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_rec.f90 -o write_rec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2ionq_disp.f90 -o d2ionq_disp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dielec.f90 -o dielec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c do_phonon.f90 -o do_phonon.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat0.f90 -o dynmat0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmatrix.f90 -o dynmatrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c elphon.f90 -o elphon.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c init_representations.f90 -o init_representations.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_readin.f90 -o phq_readin.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_setup.f90 -o phq_setup.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phqscf.f90 -o phqscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q_points.f90 -o q_points.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e.f90 -o solve_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_linter.f90 -o solve_linter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e2.f90 -o solve_e2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c close_phq.f90 -o close_phq.o\nar ruv libph.a acfdtest.o add_dkmds.o add_for_charges.o add_zstar_ue.o add_zstar_ue_us.o addcore.o dynmat_nlcc.o addnlcc_zstar_eu_us.o addusddens_pulay.o addusdynmat.o allocate_part.o allocate_pert.o allocate_phq.o yambo.o ahc.o dvscf_interpolate.o bcast_ph_input.o cch_psi_all.o check_if_partial_dyn.o check_initial_status.o check_restart_recover.o clean_pw_ph.o clinear.o close_phq.o compute_alphasum.o compute_becalp.o compute_becsum_ph.o compute_drhous.o compute_drhous_nc.o compute_dvloc.o compute_nldyn.o compute_weight.o deallocate_part.o deallocate_phq.o d2ionq.o d2ionq_disp.o d2nsq_bare.o dnsq_bare.o dnsq_orth.o dnsq_orth_set_irr.o dnsq_store.o davcio_drho.o dfile_autoname.o dfile_star.o dielec.o do_phonon.o do_q2r.o drho.o drhodv.o drhodvloc.o drhodvnl.o drhodvus.o dvanqq.o dvkb3.o dvpsi_e.o dvqpsi_us.o dvqpsi_us_only.o dyndia.o dynmat0.o dynmat_us.o dynmatcc.o dynmatrix.o dynmat_hub_bare.o dynmat_hub_scf.o dwfc.o dvqhub_barepsi_us.o dvqhub_barepsi_us2.o delta_sphi.o dpsi_orth.o ep_matrix_element_wannier.o elph.o el_ph_collect.o elphon.o elph_scdft_mod.o elph_tetra_mod.o find_equiv_sites.o find_mode_sym.o find_irrep.o generate_dynamical_matrix_c.o generate_effective_charges_c.o gmressolve_all.o incdrhous.o incdrhous_nc.o initialize_ph.o init_representations.o io_dyn_mat.o io_dyn_mat_old.o io_pattern.o obsolete.o openfilq.o phcom.o ph_restart.o phescf.o phq_init.o phq_readin.o phq_recover.o phq_setup.o phq_summary.o phqscf.o ph_set_upert.o polariz.o print_clock_ph.o prepare_q.o prepare_sym_analysis.o psidspsi.o punch_plot_e.o q_points.o q_points_wannier.o q2qstar_ph.o random_matrix.o read_wfc_rspace_and_fwfft.o rigid.o rotate_dvscf_star.o rotate_and_add_dyn.o rotate_pattern_add.o run_nscf.o save_ph_input.o set_asr_c.o set_drhoc.o set_int12_nc.o set_irr.o set_irr_nosym.o set_irr_sym.o setlocq.o solve_e.o solve_e_fpol.o solve_linter.o stop_ph.o summarize.o sym_and_write_zue.o symdyn_munu.o symdynph_gq.o symm.o symmorphic_or_nzb.o swfc.o sym_dns_wrapper.o transform_int_so.o transform_int_nc.o transform_alphasum_nc.o transform_alphasum_so.o tra_write_matrix.o trntnsc.o write_eigenvectors.o write_epsilon_and_zeu.o write_qplot_data.o write_matrix.o write_modes.o write_rec.o write_hub.o zstar_eu.o zstar_eu_us.o dump_drho.o psyme2.o chi_test.o dielec_test.o dvpsi_e2.o el_opt.o hdiag.o pcgreen.o ramanm.o syme2.o solve_e2.o solve_e_nscf.o write_ramtns.o d2mxc.o raman_mat.o raman.o dhdrhopsi.o set_dvscf.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libph.a\na - acfdtest.o\na - add_dkmds.o\na - add_for_charges.o\na - add_zstar_ue.o\na - add_zstar_ue_us.o\na - addcore.o\na - dynmat_nlcc.o\na - addnlcc_zstar_eu_us.o\na - addusddens_pulay.o\na - addusdynmat.o\na - allocate_part.o\na - allocate_pert.o\na - allocate_phq.o\na - yambo.o\na - ahc.o\na - dvscf_interpolate.o\na - bcast_ph_input.o\na - cch_psi_all.o\na - check_if_partial_dyn.o\na - check_initial_status.o\na - check_restart_recover.o\na - clean_pw_ph.o\na - clinear.o\na - close_phq.o\na - compute_alphasum.o\na - compute_becalp.o\na - compute_becsum_ph.o\na - compute_drhous.o\na - compute_drhous_nc.o\na - compute_dvloc.o\na - compute_nldyn.o\na - compute_weight.o\na - deallocate_part.o\na - deallocate_phq.o\na - d2ionq.o\na - d2ionq_disp.o\na - d2nsq_bare.o\na - dnsq_bare.o\na - dnsq_orth.o\na - dnsq_orth_set_irr.o\na - dnsq_store.o\na - davcio_drho.o\na - dfile_autoname.o\na - dfile_star.o\na - dielec.o\na - do_phonon.o\na - do_q2r.o\na - drho.o\na - drhodv.o\na - drhodvloc.o\na - drhodvnl.o\na - drhodvus.o\na - dvanqq.o\na - dvkb3.o\na - dvpsi_e.o\na - dvqpsi_us.o\na - dvqpsi_us_only.o\na - dyndia.o\na - dynmat0.o\na - dynmat_us.o\na - dynmatcc.o\na - dynmatrix.o\na - dynmat_hub_bare.o\na - dynmat_hub_scf.o\na - dwfc.o\na - dvqhub_barepsi_us.o\na - dvqhub_barepsi_us2.o\na - delta_sphi.o\na - dpsi_orth.o\na - ep_matrix_element_wannier.o\na - elph.o\na - el_ph_collect.o\na - elphon.o\na - elph_scdft_mod.o\na - elph_tetra_mod.o\na - find_equiv_sites.o\na - find_mode_sym.o\na - find_irrep.o\na - generate_dynamical_matrix_c.o\na - generate_effective_charges_c.o\na - gmressolve_all.o\na - incdrhous.o\na - incdrhous_nc.o\na - initialize_ph.o\na - init_representations.o\na - io_dyn_mat.o\na - io_dyn_mat_old.o\na - io_pattern.o\na - obsolete.o\na - openfilq.o\na - phcom.o\na - ph_restart.o\na - phescf.o\na - phq_init.o\na - phq_readin.o\na - phq_recover.o\na - phq_setup.o\na - phq_summary.o\na - phqscf.o\na - ph_set_upert.o\na - polariz.o\na - print_clock_ph.o\na - prepare_q.o\na - prepare_sym_analysis.o\na - psidspsi.o\na - punch_plot_e.o\na - q_points.o\na - q_points_wannier.o\na - q2qstar_ph.o\na - random_matrix.o\na - read_wfc_rspace_and_fwfft.o\na - rigid.o\na - rotate_dvscf_star.o\na - rotate_and_add_dyn.o\na - rotate_pattern_add.o\na - run_nscf.o\na - save_ph_input.o\na - set_asr_c.o\na - set_drhoc.o\na - set_int12_nc.o\na - set_irr.o\na - set_irr_nosym.o\na - set_irr_sym.o\na - setlocq.o\na - solve_e.o\na - solve_e_fpol.o\na - solve_linter.o\na - stop_ph.o\na - summarize.o\na - sym_and_write_zue.o\na - symdyn_munu.o\na - symdynph_gq.o\na - symm.o\na - symmorphic_or_nzb.o\na - swfc.o\na - sym_dns_wrapper.o\na - transform_int_so.o\na - transform_int_nc.o\na - transform_alphasum_nc.o\na - transform_alphasum_so.o\na - tra_write_matrix.o\na - trntnsc.o\na - write_eigenvectors.o\na - write_epsilon_and_zeu.o\na - write_qplot_data.o\na - write_matrix.o\na - write_modes.o\na - write_rec.o\na - write_hub.o\na - zstar_eu.o\na - zstar_eu_us.o\na - dump_drho.o\na - psyme2.o\na - chi_test.o\na - dielec_test.o\na - dvpsi_e2.o\na - el_opt.o\na - hdiag.o\na - pcgreen.o\na - ramanm.o\na - syme2.o\na - solve_e2.o\na - solve_e_nscf.o\na - write_ramtns.o\na - d2mxc.o\na - raman_mat.o\na - raman.o\na - dhdrhopsi.o\na - set_dvscf.o\nranlib libph.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon'\nif test -d PHonon; then \\\n( cd PHonon; make all || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon'\n( cd PH ; make phlibs || exit 1 )\n( cd Gamma ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/Gamma'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cgcom.f90 -o cgcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cgsolve.f90 -o cgsolve.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2ion.f90 -o d2ion.o\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[2]: Nothing to be done for 'phlibs'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\n( cd PH ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phonon.f90 -o phonon.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat.f90 -o dynmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dgradcorr.f90 -o dgradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dielec.f90 -o dielec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c matdyn.f90 -o matdyn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodv.f90 -o drhodv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q2r.f90 -o q2r.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c lambda.f90 -o lambda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvb_cc.f90 -o dvb_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvpsi_e.f90 -o dvpsi_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvpsi_kb.f90 -o dvpsi_kb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c fqha.f90 -o fqha.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dyndiar.f90 -o dyndiar.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q2qstar.f90 -o q2qstar.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c alpha2f.f90 -o alpha2f.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_init.f90 -o dynmat_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmatcc.f90 -o dynmatcc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c find_equiv_sites.f90 -o find_equiv_sites.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c epa.f90 -o epa.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c generate_dynamical_matrix.f90 -o generate_dynamical_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c generate_effective_charges.f90 -o generate_effective_charges.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvscf_q2r.f90 -o dvscf_q2r.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c postahc.f90 -o postahc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c h_h.f90 -o h_h.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c macro.f90 -o macro.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rhod2vkb.f90 -o rhod2vkb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e.f90 -o solve_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_ph.f90 -o solve_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c writedyn.f90 -o writedyn.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ph.x phonon.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phcg.f90 -o phcg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c a_h.f90 -o a_h.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o dynmat.x dynmat.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/ph.x . )\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cg_readin.f90 -o cg_readin.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o q2r.x q2r.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cg_setup.f90 -o cg_setup.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o lambda.x lambda.o \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nar ruv libphcg.a a_h.o cg_readin.o cg_setup.o cgcom.o cgsolve.o d2ion.o dgradcorr.o dielec.o drhodv.o dvb_cc.o dvpsi_e.o dvpsi_kb.o dyndiar.o dynmat_init.o dynmatcc.o find_equiv_sites.o generate_dynamical_matrix.o generate_effective_charges.o h_h.o macro.o rhod2vkb.o solve_e.o solve_ph.o writedyn.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libphcg.a\na - a_h.o\na - cg_readin.o\na - cg_setup.o\na - cgcom.o\na - cgsolve.o\na - d2ion.o\na - dgradcorr.o\na - dielec.o\na - drhodv.o\na - dvb_cc.o\na - dvpsi_e.o\na - dvpsi_kb.o\na - dyndiar.o\na - dynmat_init.o\na - dynmatcc.o\na - find_equiv_sites.o\na - generate_dynamical_matrix.o\na - generate_effective_charges.o\na - h_h.o\na - macro.o\na - rhod2vkb.o\na - solve_e.o\na - solve_ph.o\na - writedyn.o\nranlib libphcg.a\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o phcg.x \\\n\tphcg.o libphcg.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a ../../LR_Modules/liblrmod.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/dynmat.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o fqha.x fqha.o \\\n ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/q2r.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o q2qstar.x q2qstar.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/lambda.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o alpha2f.x alpha2f.o libph.a \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/fqha.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o epa.x epa.o libph.a \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/Gamma/phcg.x . )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/Gamma'\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o dvscf_q2r.x dvscf_q2r.o libph.a \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/q2qstar.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o postahc.x postahc.o \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/epa.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o matdyn.x matdyn.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/alpha2f.x . )\n( cd ../../bin ; ln -fs ../PHonon/PH/dvscf_q2r.x . )\n( cd ../../bin ; ln -fs ../PHonon/PH/postahc.x . )\n( cd ../../bin ; ln -fs ../PHonon/PH/matdyn.x . )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon'\ntest -d bin || mkdir bin\n( cd UtilXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libdevx || exit 1 )\n( cd FFTXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libmbd || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/devxlib/make_devx; then \\\nmkdir -p /kaggle/working/q-e-qe-7.6/devxlib/src ; \\\ncd /kaggle/working/q-e-qe-7.6/external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.6/make.inc ../; \\\n( make all && touch /kaggle/working/q-e-qe-7.6/devxlib/make_devx ) ; \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/devxlib/src/ ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\n( cd src ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\n( cd XClib ; make all || exit 1 )\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/MBD/make_mbd; then \\\n mkdir /kaggle/working/q-e-qe-7.6/MBD; \\\n cd /kaggle/working/q-e-qe-7.6/external/mbd/src; \\\n export FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include \"; \\\n (make -f ../../mbd.make && touch /kaggle/working/q-e-qe-7.6/MBD/make_mbd); \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/MBD; fi\n( cd LAXlib ; make all || exit 1 )\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\n( cd upflib ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/LAXlib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/LAXlib'\n( cd KS_Solvers ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/upflib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/upflib'\n( cd Modules ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/Modules'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/Modules'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\n( cd dft-d3 ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nif test -d Direct ; then \\\n ( cd Direct ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d PW ; then \\\n( cd PW ; make pwlibs || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[2]: 'libpw.a' is up to date.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\nif test -d PP ; then \\\n( cd PP ; make all || exit 1 ) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PP'\nif test -d src ; then \\\n( cd src ; make || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PP/src'\nif test -n \"pwlibs\" ; then \\\n( cd /kaggle/working/q-e-qe-7.6 ; make pwlibs || exit 1 ) ; fi\nmake[3]: Entering directory '/kaggle/working/q-e-qe-7.6'\ntest -d bin || mkdir bin\n( cd UtilXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libdevx || exit 1 )\n( cd FFTXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libmbd || exit 1 )\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[4]: Nothing to be done for 'all'.\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/devxlib/make_devx; then \\\nmkdir -p /kaggle/working/q-e-qe-7.6/devxlib/src ; \\\ncd /kaggle/working/q-e-qe-7.6/external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.6/make.inc ../; \\\n( make all && touch /kaggle/working/q-e-qe-7.6/devxlib/make_devx ) ; \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/devxlib/src/ ; fi\n( cd XClib ; make all || exit 1 )\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\n( cd src ; make all || exit 1 )\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/MBD/make_mbd; then \\\n mkdir /kaggle/working/q-e-qe-7.6/MBD; \\\n cd /kaggle/working/q-e-qe-7.6/external/mbd/src; \\\n export FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include \"; \\\n (make -f ../../mbd.make && touch /kaggle/working/q-e-qe-7.6/MBD/make_mbd); \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/MBD; fi\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\n( cd LAXlib ; make all || exit 1 )\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[4]: Nothing to be done for 'all'.\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[5]: Nothing to be done for 'all'.\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\n( cd upflib ; make all || exit 1 )\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/LAXlib'\nmake[4]: Nothing to be done for 'all'.\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/LAXlib'\n( cd KS_Solvers ; make all || exit 1 )\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/upflib'\nmake[4]: Nothing to be done for 'all'.\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/upflib'\n( cd Modules ; make all || exit 1 )\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nmake[5]: Nothing to be done for 'all'.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nmake[5]: Nothing to be done for 'all'.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/Modules'\nmake[4]: Nothing to be done for 'all'.\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/Modules'\n( cd dft-d3 ; make all || exit 1 )\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nmake[5]: Nothing to be done for 'all'.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[4]: Nothing to be done for 'all'.\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nmake[5]: Nothing to be done for 'all'.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nmake[5]: Nothing to be done for 'all'.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nmake[5]: Nothing to be done for 'all'.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nif test -d Direct ; then \\\n ( cd Direct ; make all || exit 1 ) ; fi\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nmake[5]: Nothing to be done for 'all'.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d PW ; then \\\n( cd PW ; make pwlibs || exit 1) ; fi\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[5]: 'libpw.a' is up to date.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\nmake[3]: Leaving directory '/kaggle/working/q-e-qe-7.6'\nmake all\nmake[3]: Entering directory '/kaggle/working/q-e-qe-7.6/PP/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c open_grid.f90 -o open_grid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c adduscore.f90 -o adduscore.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c addusdens1d.f90 -o addusdens1d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c add_shift_cc.f90 -o add_shift_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c add_shift_lc.f90 -o add_shift_lc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c add_shift_us.f90 -o add_shift_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c wannier_mod.f90 -o wannier_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c fft_interpolation_mod.f90 -o fft_interpolation_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c chdens_bspline.f90 -o chdens_bspline.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c chdens_bspline_sphere.f90 -o chdens_bspline_sphere.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c compute_ppsi.f90 -o compute_ppsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c compute_sigma_avg.f90 -o compute_sigma_avg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c cube.f90 -o cube.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c dosg.f90 -o dosg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c do_initial_state.f90 -o do_initial_state.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c do_shift_ew.f90 -o do_shift_ew.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c d_matrix_nc.f90 -o d_matrix_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c d_matrix_so.f90 -o d_matrix_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c elf.f90 -o elf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c fermisurfer_common.f90 -o fermisurfer_common.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c ggen1d.f90 -o ggen1d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c local_dos.f90 -o local_dos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c local_dos_mag.f90 -o local_dos_mag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c local_dos1d.f90 -o local_dos1d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c openfil_pp.f90 -o openfil_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c projections_mod.f90 -o projections_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c paw_postproc.f90 -o paw_postproc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c projwfc_box.f90 -o projwfc_box.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c punch_rism.f90 -o punch_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c read_proj.f90 -o read_proj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c smallgk.f90 -o smallgk.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c stm.f90 -o stm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c stop_pp.f90 -o stop_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c sum_band_kin.f90 -o sum_band_kin.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c sym_band.f90 -o sym_band.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c vasp_read_chgcar_mod.f90 -o vasp_read_chgcar_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c wannier_proj.f90 -o wannier_proj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c wannier_enrg.f90 -o wannier_enrg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c work_function.f90 -o work_function.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c write_p_avg.f90 -o write_p_avg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c write_proj.f90 -o write_proj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c write_io_header.f90 -o write_io_header.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c write_hamiltonians.f90 -o write_hamiltonians.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c globalmod.f90 -o globalmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c hubbard_projectors.f90 -o hubbard_projectors.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c oscdft_pp_mod.f90 -o oscdft_pp_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c xc_vdW_scale_mod.f90 -o xc_vdW_scale_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c average.f90 -o average.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c bands.f90 -o bands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c dos.f90 -o dos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c epsilon.f90 -o epsilon.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c initial_state.f90 -o initial_state.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c fermisurface.f90 -o fermisurface.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c plan_avg.f90 -o plan_avg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c plotband.f90 -o plotband.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c plotproj.f90 -o plotproj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c plotrho.f90 -o plotrho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c poormanwannier.f90 -o poormanwannier.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c projwfc.f90 -o projwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c pawplot.f90 -o pawplot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c sumpdos.f90 -o sumpdos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c pw2wannier90.f90 -o pw2wannier90.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c pw2critic.f90 -o pw2critic.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c pw2gw.f90 -o pw2gw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c pw2gt.f90 -o pw2gt.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c wannier_ham.f90 -o wannier_ham.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c wannier_plot.f90 -o wannier_plot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c molecularpdos.f90 -o molecularpdos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c pw2bgw.f90 -o pw2bgw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c wfck2r.f90 -o wfck2r.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c fermi_velocity.f90 -o fermi_velocity.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c fermi_proj.f90 -o fermi_proj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c postrism.f90 -o postrism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c d3hess.f90 -o d3hess.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c wannier2pw.f90 -o wannier2pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c oscdft_pp.f90 -o oscdft_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c chdens_module.f90 -o chdens_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c partialdos.f90 -o partialdos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c punch_plot.f90 -o punch_plot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c vasp_xml_module.f90 -o vasp_xml_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c fouriermod.f90 -o fouriermod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c idwmod.f90 -o idwmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c oscdft_et_mod.f90 -o oscdft_et_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c band_interpolation.f90 -o band_interpolation.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c postproc.f90 -o postproc.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o sumpdos.x sumpdos.o ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c ppacf.f90 -o ppacf.o\n( cd ../../bin ; ln -fs ../PP/src/sumpdos.x . )\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c oscdft_et.f90 -o oscdft_et.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c solvdens.f90 -o solvdens.o\nar ruv libpp.a adduscore.o addusdens1d.o add_shift_cc.o add_shift_lc.o add_shift_us.o wannier_mod.o chdens_module.o chdens_bspline.o chdens_bspline_sphere.o compute_ppsi.o compute_sigma_avg.o cube.o dosg.o do_initial_state.o do_shift_ew.o d_matrix_nc.o d_matrix_so.o elf.o fermisurfer_common.o ggen1d.o local_dos.o local_dos_mag.o local_dos1d.o openfil_pp.o partialdos.o paw_postproc.o projections_mod.o projwfc_box.o punch_plot.o punch_rism.o read_proj.o smallgk.o solvdens.o stm.o stop_pp.o sum_band_kin.o sym_band.o vasp_read_chgcar_mod.o vasp_xml_module.o wannier_proj.o wannier_enrg.o work_function.o write_p_avg.o write_proj.o write_io_header.o write_hamiltonians.o globalmod.o fouriermod.o idwmod.o hubbard_projectors.o oscdft_pp_mod.o oscdft_et_mod.o xc_vdW_scale_mod.o fft_interpolation_mod.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libpp.a\na - adduscore.o\na - addusdens1d.o\na - add_shift_cc.o\na - add_shift_lc.o\na - add_shift_us.o\na - wannier_mod.o\na - chdens_module.o\na - chdens_bspline.o\na - chdens_bspline_sphere.o\na - compute_ppsi.o\na - compute_sigma_avg.o\na - cube.o\na - dosg.o\na - do_initial_state.o\na - do_shift_ew.o\na - d_matrix_nc.o\na - d_matrix_so.o\na - elf.o\na - fermisurfer_common.o\na - ggen1d.o\na - local_dos.o\na - local_dos_mag.o\na - local_dos1d.o\na - openfil_pp.o\na - partialdos.o\na - paw_postproc.o\na - projections_mod.o\na - projwfc_box.o\na - punch_plot.o\na - punch_rism.o\na - read_proj.o\na - smallgk.o\na - solvdens.o\na - stm.o\na - stop_pp.o\na - sum_band_kin.o\na - sym_band.o\na - vasp_read_chgcar_mod.o\na - vasp_xml_module.o\na - wannier_proj.o\na - wannier_enrg.o\na - work_function.o\na - write_p_avg.o\na - write_proj.o\na - write_io_header.o\na - write_hamiltonians.o\na - globalmod.o\na - fouriermod.o\na - idwmod.o\na - hubbard_projectors.o\na - oscdft_pp_mod.o\na - oscdft_et_mod.o\na - xc_vdW_scale_mod.o\na - fft_interpolation_mod.o\nranlib libpp.a\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o open_grid.x \\\n\topen_grid.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o average.x \\\n\taverage.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/average.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o bands.x \\\n\tbands.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/open_grid.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o band_interpolation.x \\\n\tband_interpolation.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o dos.x \\\n\tdos.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/bands.x . )\n( cd ../../bin ; ln -fs ../PP/src/band_interpolation.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o epsilon.x epsilon.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a \\\n -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o initial_state.x \\\n\tinitial_state.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a \\\n\t -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/dos.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o fs.x \\\n\tfermisurface.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/initial_state.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o plan_avg.x \\\n\tplan_avg.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a \\\n\t -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/epsilon.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o plotband.x \\\n\tplotband.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/fs.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o plotproj.x \\\n\tplotproj.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o plotrho.x \\\n\tplotrho.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/plotband.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pmw.x \\\n\tpoormanwannier.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a \\\n\t -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/plan_avg.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pp.x \\\n\tpostproc.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a \\\n\t -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/plotproj.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o projwfc.x \\\n\tprojwfc.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/plotrho.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pawplot.x \\\n\tpawplot.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/pmw.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pw2wannier90.x \\\n\tpw2wannier90.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/pp.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pw2critic.x \\\n\tpw2critic.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/projwfc.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pw2gw.x \\\n\tpw2gw.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pw2gt.x \\\n\tpw2gt.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/pw2wannier90.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o wannier_ham.x \\\nwannier_ham.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/pw2critic.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o wannier_plot.x \\\nwannier_plot.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/pw2gw.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o molecularpdos.x \\\n\tmolecularpdos.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pw2bgw.x \\\n\tpw2bgw.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/wannier_ham.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o wfck2r.x \\\n\twfck2r.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/molecularpdos.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o fermi_velocity.x \\\n\tfermi_velocity.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/wannier_plot.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o fermi_proj.x \\\n\tfermi_proj.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/pw2bgw.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ppacf.x \\\n\tppacf.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/wfck2r.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pprism.x \\\n\tpostrism.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/fermi_velocity.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o d3hess.x \\\n\td3hess.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/fermi_proj.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o wannier2pw.x \\\n\twannier2pw.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/ppacf.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o oscdft_pp.x \\\n\toscdft_pp.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/pprism.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o oscdft_et.x \\\n\toscdft_et.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/d3hess.x . )\n( cd ../../bin ; ln -fs ../PP/src/wannier2pw.x . )\n( cd ../../bin ; ln -fs ../PP/src/oscdft_pp.x . )\n( cd ../../bin ; ln -fs ../PP/src/oscdft_et.x . )\nmake[3]: Leaving directory '/kaggle/working/q-e-qe-7.6/PP/src'\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PP/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PP'\n","output_type":"stream"}],"execution_count":7},{"cell_type":"markdown","source":"Below code runs QE and the analysis.","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > run_qe.sh << 'EOF'\n#!/bin/bash\nexport CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\nexec /kaggle/working/q-e-qe-7.6/bin/pw.x -nb 4 -in input.in > output.out\nEOF\nchmod +x run_qe.sh\nmpirun --allow-run-as-root -np 2 \\\n --bind-to none \\\n ./run_qe.sh || true","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-17T08:52:42.816416Z","iopub.execute_input":"2026-08-17T08:52:42.817259Z","execution_failed":"2026-08-17T10:21:28.132Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Check outputs for any errors(saves a lot of time compared to trying to use mpirun failure codes which are random and do not make sense)","metadata":{}},{"cell_type":"code","source":"!cat output.out","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-17T08:52:03.03069Z","iopub.execute_input":"2026-08-17T08:52:03.031107Z","iopub.status.idle":"2026-08-17T08:52:03.270739Z","shell.execute_reply.started":"2026-08-17T08:52:03.031077Z","shell.execute_reply":"2026-08-17T08:52:03.269837Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"\n Program PWSCF v.7.6 starts on 17Aug2026 at 6:33:25 \n\n This program is part of the open-source Quantum ESPRESSO suite\n for quantum simulation of materials; please cite\n \"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);\n \"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);\n \"P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);\n URL http://www.quantum-espresso.org\", \n in publications or presentations arising from this work. More details at\n http://www.quantum-espresso.org/quote\n\n Serial version\n 5080 MiB available memory on the printing compute node when the environment starts\n \n Reading input from input.in\n\n Current dimensions of program PWSCF are:\n Max number of different atomic species (ntypx) = 10\n Max number of k-points (npk) = 40000\n Max angular momentum in pseudopotentials (lmaxx) = 4\n Stress calculation not meaningful in isolated systems\n\n file N.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S renormalized\n file O.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S 2P renormalized\n file C.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S 2P renormalized\n\n IMPORTANT: XC functional enforced from input :\n Exchange-correlation= PBE\n ( 1 4 3 4 0 0 0)\n Any further DFT definition will be discarded\n Please, verify this is what you really want\n\n\n gamma-point specific algorithms are used\n \n \n G-vector sticks info\n --------------------\n sticks: dense smooth PW G-vecs: dense smooth PW\n Sum 40945 20461 5129 6227117 2201421 274961\n \n Using Slab Decomposition\n \n\n\n bravais-lattice index = 0\n lattice parameter (alat) = 37.7945 a.u.\n unit-cell volume = 53986.6760 (a.u.)^3\n number of atoms/cell = 50\n number of atomic types = 3\n number of electrons = 268.00\n number of Kohn-Sham states= 161\n kinetic-energy cutoff = 45.0000 Ry\n charge density cutoff = 360.0000 Ry\n scf convergence threshold = 1.0E-08\n mixing beta = 0.3000\n number of iterations used = 8 local-TF mixing\n energy convergence thresh.= 1.0E-04\n force convergence thresh. = 1.0E-03\n Exchange-correlation= PBE\n ( 1 4 3 4 0 0 0)\n nstep = 50\n\n\n GPU acceleration is ACTIVE. 1 visible GPUs per MPI rank\n\n Assuming isolated system, Martyna-Tuckerman method\n\n\n celldm(1)= 37.794522 celldm(2)= 0.000000 celldm(3)= 0.000000\n celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000\n\n crystal axes: (cart. coord. in units of alat)\n a(1) = ( 1.000000 0.000000 0.000000 ) \n a(2) = ( 0.000000 1.000000 0.000000 ) \n a(3) = ( 0.000000 0.000000 1.000000 ) \n\n reciprocal axes: (cart. coord. in units 2 pi/alat)\n b(1) = ( 1.000000 0.000000 0.000000 ) \n b(2) = ( 0.000000 1.000000 0.000000 ) \n b(3) = ( 0.000000 0.000000 1.000000 ) \n\n\n PseudoPot. # 1 for N read from file:\n ./pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF\n MD5 check sum: 14c48229446f9f2d411169a3abcbc3fa\n Pseudo is Projector augmented-wave + core cor, Zval = 5.0\n Generated using "atomic" code by A. Dal Corso v.6.3\n Shape of augmentation charge: PSQ\n Using radial grid of 1085 points, 4 beta functions with: \n l(1) = 0\n l(2) = 0\n l(3) = 1\n l(4) = 1\n Q(r) pseudized with 0 coefficients \n\n\n PseudoPot. # 2 for O read from file:\n ./pseudo/O.pbe-n-kjpaw_psl.1.0.0.UPF\n MD5 check sum: e99d9cef9b487d1ca56f5b95ecd0fd7a\n Pseudo is Projector augmented-wave + core cor, Zval = 6.0\n Generated using "atomic" code by A. Dal Corso v.6.3\n Shape of augmentation charge: PSQ\n Using radial grid of 1095 points, 4 beta functions with: \n l(1) = 0\n l(2) = 0\n l(3) = 1\n l(4) = 1\n Q(r) pseudized with 0 coefficients \n\n\n PseudoPot. # 3 for C read from file:\n ./pseudo/C.pbe-n-kjpaw_psl.1.0.0.UPF\n MD5 check sum: 5f16ad9a65e90284d1d834d4ab3b0f7d\n Pseudo is Projector augmented-wave + core cor, Zval = 4.0\n Generated using "atomic" code by A. Dal Corso v.6.3\n Shape of augmentation charge: PSQ\n Using radial grid of 1073 points, 4 beta functions with: \n l(1) = 0\n l(2) = 0\n l(3) = 1\n l(4) = 1\n Q(r) pseudized with 0 coefficients \n\n\n atomic species valence mass pseudopotential\n N 5.00 14.00700 N ( 1.00)\n O 6.00 16.00000 O ( 1.00)\n C 4.00 12.00000 C ( 1.00)\n\n No symmetry found\n\n\n\n Cartesian axes\n\n site n. atom positions (alat units)\n 1 N tau( 1) = ( 0.6031709 0.4985235 0.4576332 )\n 2 N tau( 2) = ( 0.5641571 0.5146391 0.3985065 )\n 3 O tau( 3) = ( 0.5091674 0.4857130 0.4181083 )\n 4 O tau( 4) = ( 0.5733220 0.5449695 0.3416440 )\n 5 N tau( 5) = ( 0.6408975 0.4362257 0.4597178 )\n 6 N tau( 6) = ( 0.6166108 0.3834178 0.5034224 )\n 7 O tau( 7) = ( 0.6276230 0.3872306 0.5675783 )\n 8 O tau( 8) = ( 0.5919034 0.3320110 0.4719481 )\n 9 N tau( 9) = ( 0.7126608 0.4393203 0.4480621 )\n 10 N tau( 10) = ( 0.7330660 0.4491674 0.3785810 )\n 11 O tau( 11) = ( 0.7258475 0.5045888 0.3450511 )\n 12 O tau( 12) = ( 0.7582813 0.3939548 0.3549774 )\n 13 N tau( 13) = ( 0.7533721 0.4673445 0.5023128 )\n 14 N tau( 14) = ( 0.8124156 0.4244901 0.5135842 )\n 15 N tau( 15) = ( 0.7988868 0.3525484 0.5145802 )\n 16 O tau( 16) = ( 0.8377133 0.3363941 0.4648053 )\n 17 O tau( 17) = ( 0.7651065 0.3107252 0.5514158 )\n 18 N tau( 18) = ( 0.8591419 0.4468041 0.5657650 )\n 19 N tau( 19) = ( 0.8572055 0.4108948 0.6292783 )\n 20 O tau( 20) = ( 0.8813819 0.3520830 0.6436657 )\n 21 O tau( 21) = ( 0.8376307 0.4554113 0.6725576 )\n 22 C tau( 22) = ( 0.9263430 0.4602795 0.5387469 )\n 23 N tau( 23) = ( 0.9735766 0.4097284 0.5134147 )\n 24 N tau( 24) = ( 0.9836145 0.4500192 0.4512994 )\n 25 N tau( 25) = ( 1.0379943 0.4878188 0.4852705 )\n 26 N tau( 26) = ( 0.9898337 0.5388057 0.5100684 )\n 27 N tau( 27) = ( 0.9796513 0.4985316 0.5721617 )\n 28 N tau( 28) = ( 1.0279994 0.4480134 0.5466734 )\n 29 C tau( 29) = ( 0.9364903 0.5007138 0.4764064 )\n 30 N tau( 30) = ( 0.8797586 0.5296544 0.4393427 )\n 31 N tau( 31) = ( 0.8966825 0.5625328 0.3763921 )\n 32 O tau( 32) = ( 0.9374765 0.6124183 0.3665249 )\n 33 O tau( 33) = ( 0.8724417 0.5236676 0.3301342 )\n 34 N tau( 34) = ( 0.8330594 0.5649718 0.4838136 )\n 35 N tau( 35) = ( 0.8381404 0.6379468 0.4799809 )\n 36 O tau( 36) = ( 0.8215288 0.6852030 0.4383746 )\n 37 O tau( 37) = ( 0.8715295 0.6462101 0.5353635 )\n 38 N tau( 38) = ( 0.7639921 0.5389128 0.4861506 )\n 39 N tau( 39) = ( 0.7250760 0.5775592 0.5349037 )\n 40 N tau( 40) = ( 0.7335998 0.5647357 0.6063269 )\n 41 O tau( 41) = ( 0.7674839 0.6127177 0.6344187 )\n 42 O tau( 42) = ( 0.7069255 0.5141708 0.6376165 )\n 43 N tau( 43) = ( 0.6581656 0.5973889 0.5142587 )\n 44 N tau( 44) = ( 0.6536205 0.6514426 0.4658215 )\n 45 O tau( 45) = ( 0.6713883 0.6498637 0.4031548 )\n 46 O tau( 46) = ( 0.6363926 0.7044814 0.4994931 )\n 47 N tau( 47) = ( 0.6067341 0.5458496 0.5127702 )\n 48 N tau( 48) = ( 0.5513454 0.5501723 0.5596953 )\n 49 O tau( 49) = ( 0.5046879 0.5926372 0.5433821 )\n 50 O tau( 50) = ( 0.5550405 0.5173798 0.6158853 )\n\n --------------------------------------------\n DFT-D3 Dispersion Correction (no 3-body):\n --------------------------------------------\n Reference C6 values for interpolation: \n\n atom Coordination number C6\n C 0.000 98.23\n C 0.987 86.49\n C 1.998 58.72\n C 2.999 51.56\n C 3.984 36.41\n N 0.000 50.54\n N 0.994 44.25\n N 2.014 39.35\n N 2.990 31.16\n O 0.000 31.01\n O 0.993 25.63\n O 1.989 20.74\n\n Values used:\n\n atom Coordination number R0_AB[au] C6 C8\n N 3.183 2.478 31.20 688.32\n N 3.031 2.478 31.28 690.16\n O 1.125 2.345 25.40 512.49\n O 1.020 2.345 25.59 516.39\n N 3.110 2.478 31.23 688.95\n N 3.037 2.478 31.28 690.05\n O 1.034 2.345 25.57 515.97\n O 1.037 2.345 25.56 515.86\n N 3.149 2.478 31.21 688.57\n N 3.039 2.478 31.28 690.00\n O 1.031 2.345 25.57 516.06\n O 1.048 2.345 25.54 515.50\n N 3.125 2.478 31.22 688.79\n N 3.201 2.478 31.20 688.21\n N 3.050 2.478 31.27 689.80\n O 1.114 2.345 25.42 513.00\n O 1.022 2.345 25.59 516.33\n N 3.138 2.478 31.22 688.66\n N 3.049 2.478 31.27 689.81\n O 1.026 2.345 25.58 516.22\n O 1.066 2.345 25.51 514.88\n C 4.875 2.750 36.41 1053.15\n N 3.548 2.478 31.17 687.54\n N 3.542 2.478 31.17 687.54\n N 3.630 2.478 31.16 687.52\n N 3.548 2.478 31.17 687.54\n N 3.542 2.478 31.17 687.54\n N 3.630 2.478 31.16 687.52\n C 4.874 2.750 36.41 1053.15\n N 3.136 2.478 31.22 688.67\n N 3.049 2.478 31.27 689.81\n O 1.026 2.345 25.58 516.22\n O 1.064 2.345 25.52 514.95\n N 3.203 2.478 31.20 688.19\n N 3.051 2.478 31.27 689.79\n O 1.022 2.345 25.59 516.33\n O 1.117 2.345 25.42 512.89\n N 3.125 2.478 31.22 688.78\n N 3.149 2.478 31.21 688.57\n N 3.040 2.478 31.28 689.99\n O 1.046 2.345 25.55 515.57\n O 1.032 2.345 25.57 516.03\n N 3.125 2.478 31.22 688.79\n N 3.038 2.478 31.28 690.03\n O 1.027 2.345 25.58 516.19\n O 1.058 2.345 25.53 515.16\n N 3.108 2.478 31.23 688.96\n N 3.032 2.478 31.28 690.15\n O 1.037 2.345 25.56 515.86\n O 1.032 2.345 25.57 516.02\n\n Molecular C6 ( Ry / a.u.^6 ) = 72547.62\n\n\n number of k points= 1 Gaussian smearing, width (Ry)= 0.0050\n cart. coord. in units 2pi/alat\n k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 2.0000000\n\n Dense grid: 3113559 G-vectors FFT dimensions: ( 240, 240, 240)\n\n Smooth grid: 1100711 G-vectors FFT dimensions: ( 162, 162, 162)\n\n Estimated max dynamical RAM per process > 9.34 GB\n\n Atomic positions and unit cell read from directory:\n ./tmp/calc.save/\n Atomic positions from file used, from input discarded\n \n\n Check: negative core charge= -0.000001\n\n The initial density is read from file :\n ./tmp/calc.save/charge-density\n\n\n negative rho (up, down): 2.800E-02 0.000E+00\n Starting wfcs from file\n\n total cpu time spent up to now is 10.0 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-05, avg # of iterations = 9.0\n\n negative rho (up, down): 2.911E-02 0.000E+00\n\n total cpu time spent up to now is 15.9 secs\n\n total energy = -1655.75578238 Ry\n estimated scf accuracy < 0.01187986 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.43E-06, avg # of iterations = 7.0\n\n negative rho (up, down): 2.908E-02 0.000E+00\n\n total cpu time spent up to now is 20.4 secs\n\n total energy = -1655.75628187 Ry\n estimated scf accuracy < 0.52857181 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.43E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.947E-02 0.000E+00\n\n total cpu time spent up to now is 24.6 secs\n\n total energy = -1655.76048645 Ry\n estimated scf accuracy < 0.00039634 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.48E-07, avg # of iterations = 16.0\n\n negative rho (up, down): 2.938E-02 0.000E+00\n\n total cpu time spent up to now is 31.4 secs\n\n total energy = -1655.76186999 Ry\n estimated scf accuracy < 0.00102832 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.48E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.913E-02 0.000E+00\n\n total cpu time spent up to now is 35.5 secs\n\n total energy = -1655.76184230 Ry\n estimated scf accuracy < 0.00027717 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.03E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.861E-02 0.000E+00\n\n total cpu time spent up to now is 39.7 secs\n\n total energy = -1655.76179498 Ry\n estimated scf accuracy < 0.00030612 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.03E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.851E-02 0.000E+00\n\n total cpu time spent up to now is 43.9 secs\n\n total energy = -1655.76182067 Ry\n estimated scf accuracy < 0.00019640 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.33E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.842E-02 0.000E+00\n\n total cpu time spent up to now is 48.1 secs\n\n total energy = -1655.76183172 Ry\n estimated scf accuracy < 0.00009650 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.60E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.831E-02 0.000E+00\n\n total cpu time spent up to now is 52.4 secs\n\n total energy = -1655.76183458 Ry\n estimated scf accuracy < 0.00015955 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.60E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 56.6 secs\n\n total energy = -1655.76184054 Ry\n estimated scf accuracy < 0.00014073 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.60E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 60.8 secs\n\n total energy = -1655.76184468 Ry\n estimated scf accuracy < 0.00000093 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.47E-10, avg # of iterations = 41.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 74.5 secs\n\n total energy = -1655.76187681 Ry\n estimated scf accuracy < 0.00000344 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.47E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 78.7 secs\n\n total energy = -1655.76187678 Ry\n estimated scf accuracy < 0.00000341 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.47E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 82.8 secs\n\n total energy = -1655.76187692 Ry\n estimated scf accuracy < 0.00000279 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.47E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 87.1 secs\n\n total energy = -1655.76187664 Ry\n estimated scf accuracy < 0.00000348 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.47E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 91.2 secs\n\n total energy = -1655.76187635 Ry\n estimated scf accuracy < 0.00000222 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.47E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 95.5 secs\n\n total energy = -1655.76187631 Ry\n estimated scf accuracy < 0.00000097 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.47E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 99.7 secs\n\n total energy = -1655.76187624 Ry\n estimated scf accuracy < 0.00000058 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.17E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 103.9 secs\n\n total energy = -1655.76187623 Ry\n estimated scf accuracy < 0.00000031 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.15E-10, avg # of iterations = 6.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 108.2 secs\n\n total energy = -1655.76187617 Ry\n estimated scf accuracy < 0.00000024 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.80E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 113.1 secs\n\n total energy = -1655.76187626 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.61E-11, avg # of iterations = 14.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 119.0 secs\n\n total energy = -1655.76187633 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.61E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 123.2 secs\n\n total energy = -1655.76187634 Ry\n estimated scf accuracy < 0.00000011 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.61E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 127.4 secs\n\n total energy = -1655.76187631 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.61E-11, avg # of iterations = 6.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 131.8 secs\n\n total energy = -1655.76187631 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.47E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 135.6 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8097 -32.7874 -32.7592 -32.7328 -32.6859 -32.5459 -32.2397 -32.1682\n -32.0351 -32.0056 -30.6623 -29.6244 -29.1933 -28.9562 -28.9146 -28.9127\n -28.9048 -28.8774 -28.7633 -28.5872 -28.5370 -28.4336 -28.1645 -28.1260\n -27.4363 -26.7965 -25.5296 -24.7923 -24.3574 -23.9862 -22.7962 -21.9074\n -20.6660 -19.2170 -18.6853 -18.1945 -17.6734 -17.3916 -17.3620 -17.2111\n -17.0770 -16.8978 -16.6126 -16.5887 -16.5555 -16.5230 -16.4390 -16.3784\n -15.6868 -15.6598 -15.4710 -15.2733 -15.1515 -15.0248 -14.9981 -14.8159\n -14.7077 -14.6345 -14.5788 -14.5486 -14.4838 -14.4769 -14.4312 -14.3574\n -14.2980 -14.2605 -14.2459 -14.2307 -14.2025 -14.1505 -14.0556 -14.0411\n -14.0254 -13.9974 -13.9768 -13.8662 -13.8159 -13.8013 -13.7688 -13.7376\n -13.6858 -13.6365 -13.1701 -13.0847 -12.7251 -12.4870 -12.0985 -12.0405\n -11.8150 -11.4578 -11.3893 -11.3031 -10.9477 -10.7431 -10.5067 -9.9540\n -9.9141 -9.7715 -9.7554 -9.7068 -9.6716 -9.6292 -9.5585 -9.5228\n -9.4813 -9.4396 -9.4023 -9.3369 -9.3049 -9.1764 -9.1373 -9.1100\n -9.0344 -8.9882 -8.9553 -8.9503 -8.8776 -8.8531 -8.6357 -8.5998\n -8.5327 -8.2327 -8.0859 -7.9925 -7.6879 -7.5429 -7.2515 -7.1767\n -6.9654 -6.8067 -6.4069 -6.3478 -6.2849 -6.0881 -6.0734 -5.8951\n -5.6189 -4.9534 -4.8277 -4.6556 -4.5734 -4.1969 -4.1203 -4.0289\n -4.0024 -3.8850 -3.8243 -3.7164 -3.6915 -3.6761 -3.5927 -3.5395\n -3.4612 -3.2539 -3.0525 -2.8057 -2.3989 -2.3092 -0.7075 -0.4017\n -0.1474\n\n the Fermi energy is -6.0808 ev\n\n! total energy = -1655.76187622 Ry\n total all-electron energy = -6224.594224 Ry\n estimated scf accuracy < 6.9E-09 Ry\n smearing contrib. (-TS) = -0.00557897 Ry\n internal energy E=F+TS = -1655.75629725 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18257.77658270 Ry\n hartree contribution = 9161.98004130 Ry\n xc contribution = -312.72578552 Ry\n ewald contribution = 8180.73954236 Ry\n DFT-D3 Dispersion = -0.16162928 Ry\n one-center paw contrib. = -427.81188342 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00043669 0.00051133 0.00168712\n atom 2 type 1 force = 0.00136738 -0.00037476 0.00205070\n atom 3 type 2 force = -0.00165608 0.00027560 0.00160095\n atom 4 type 2 force = 0.00067190 0.00115702 -0.00077911\n atom 5 type 1 force = 0.00046309 -0.00031254 -0.00023858\n atom 6 type 1 force = 0.00087994 -0.00479026 -0.00268335\n atom 7 type 2 force = 0.00114856 0.00363183 0.00260751\n atom 8 type 2 force = 0.00169471 -0.00024519 0.00012648\n atom 9 type 1 force = 0.00433948 0.00107396 -0.00102938\n atom 10 type 1 force = 0.00070208 -0.00040039 0.00159658\n atom 11 type 2 force = 0.00001661 0.00038180 -0.00000232\n atom 12 type 2 force = -0.00030450 -0.00018479 0.00000955\n atom 13 type 1 force = 0.00163977 0.00025384 0.00053755\n atom 14 type 1 force = 0.00100049 0.00033074 -0.00058278\n atom 15 type 1 force = -0.00102885 -0.00123173 -0.00153939\n atom 16 type 2 force = 0.00197203 -0.00039827 -0.00194721\n atom 17 type 2 force = 0.00106260 0.00148421 -0.00022134\n atom 18 type 1 force = -0.00303719 0.00146214 0.00448888\n atom 19 type 1 force = 0.00091856 0.00416641 -0.00178475\n atom 20 type 2 force = 0.00064554 0.00028959 -0.00029143\n atom 21 type 2 force = 0.00003225 0.00003878 0.00104678\n atom 22 type 3 force = -0.00054692 0.00244843 0.00292502\n atom 23 type 1 force = -0.00097773 -0.00190133 0.00026689\n atom 24 type 1 force = 0.00064307 0.00329165 -0.00063927\n atom 25 type 1 force = 0.00068915 -0.00074737 -0.00184097\n atom 26 type 1 force = 0.00043005 0.00053500 -0.00171600\n atom 27 type 1 force = 0.00297218 -0.00141523 -0.00125811\n atom 28 type 1 force = 0.00130723 0.00088443 -0.00067476\n atom 29 type 3 force = -0.00288761 -0.00150220 0.00067501\n atom 30 type 1 force = -0.00465231 0.00140951 -0.00024513\n atom 31 type 1 force = -0.00408363 0.00000890 0.00190220\n atom 32 type 2 force = -0.00108384 0.00093583 0.00062042\n atom 33 type 2 force = 0.00094553 -0.00167267 -0.00158162\n atom 34 type 1 force = -0.00125373 0.00188281 -0.00318321\n atom 35 type 1 force = -0.00126401 0.00012450 -0.00239551\n atom 36 type 2 force = 0.00271048 -0.00193731 0.00223419\n atom 37 type 2 force = -0.00162175 0.00113236 0.00081420\n atom 38 type 1 force = -0.00051388 -0.00085752 0.00035913\n atom 39 type 1 force = -0.00084613 -0.00093219 -0.00036157\n atom 40 type 1 force = 0.00328168 0.00287575 -0.00264226\n atom 41 type 2 force = -0.00249630 -0.00224645 -0.00100290\n atom 42 type 2 force = -0.00008264 -0.00098672 0.00216699\n atom 43 type 1 force = 0.00002249 0.00019517 -0.00082587\n atom 44 type 1 force = -0.00017750 0.00037580 -0.00117269\n atom 45 type 2 force = 0.00043235 -0.00395484 0.00044144\n atom 46 type 2 force = -0.00051243 -0.00055833 0.00326811\n atom 47 type 1 force = -0.00180578 -0.00118641 0.00103630\n atom 48 type 1 force = -0.00014487 -0.00173158 0.00129476\n atom 49 type 2 force = -0.00177604 -0.00171014 -0.00198280\n atom 50 type 2 force = 0.00032782 0.00012084 -0.00113445\n\n Total force = 0.020787 Total SCF correction = 0.000199\n Energy error = 5.9E-04 Ry\n Gradient error = 4.8E-03 Ry/Bohr\n\n number of scf cycles = 51\n number of bfgs steps = 50\n\n energy old = -1655.7612889001 Ry\n energy new = -1655.7618762172 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0254871165 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8123738305 9.8425822938 9.2603493224\nN 10.5943052788 9.9766123873 8.0596207112\nO 9.6088118570 9.3705708286 8.4515939527\nO 10.7078531592 10.8684908278 7.2503746722\nN 13.0946696285 8.5610880816 9.1983966352\nN 12.2326655328 7.1262044985 10.4604969888\nO 12.1767854534 7.4464344812 11.6230521787\nO 11.9846377485 6.1296138754 9.8415104136\nN 14.3258263326 8.0727665352 9.6668717190\nN 15.1128842459 8.4685363098 6.7894188616\nO 14.6995223858 9.5619484589 6.4600124384\nO 15.8904709747 7.6851403497 6.2903432180\nN 15.0913835765 8.8459929510 10.3194296407\nN 16.3780171685 8.4013765469 10.3104920510\nN 16.4627526636 6.5085263338 10.0850429609\nO 17.2260197581 6.1723077960 9.2221963134\nO 15.7603298790 5.9159706163 10.8649611166\nN 17.2388407999 8.9472039627 11.1453422194\nN 17.3476675525 8.1612769027 12.8658550712\nO 17.7475137647 7.0205285195 12.8542756292\nO 16.9449768066 8.8896653359 13.7345265038\nC 18.4819990080 9.2742000920 10.5870185493\nN 19.5612007184 8.4360907306 9.8285387692\nN 19.5748696342 9.5553498380 8.7173467054\nN 20.6487824234 10.3110322712 9.5255465978\nN 19.5784432746 11.1329141915 10.2800600445\nN 19.5436049551 10.0053861367 11.3897352299\nN 20.6325021280 9.2414611800 10.6062707430\nC 18.5250679868 10.3314071570 9.4737909116\nN 17.3619737725 10.7900817414 8.8443084137\nN 17.6716047715 11.3828959321 7.1187746223\nO 17.6759354577 12.5882666114 7.0371677162\nO 17.7316726476 10.4932887858 6.3107602035\nN 16.5750992420 11.5211015327 9.6145647015\nN 16.9864710971 13.4387458897 9.9188610087\nO 16.3352183789 14.1709715232 9.2217477151\nO 17.8211050061 13.5991289125 10.7659771930\nN 15.2431727645 11.3257286454 9.4786958276\nN 14.5498155427 12.1816098501 10.1137372944\nN 15.1622410478 11.6378383529 12.9254438714\nO 15.9904113482 12.2838902505 13.5285681889\nO 14.3485137242 10.7993212967 13.2402801552\nN 13.2146378908 11.8653725202 10.4204385399\nN 12.6095909079 13.4076657571 9.0129289894\nO 12.7107892493 13.0922022279 7.8523214792\nO 12.3027463338 14.4169193645 9.5896622014\nN 12.7923426836 10.6318983935 10.2991872177\nN 10.6057859046 10.7366850278 11.4232850590\nO 9.6139190200 11.0903768765 10.7997518646\nO 10.7148677269 10.2910092771 12.5418693016\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 146.0 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 156.3 secs\n\n total energy = -1655.76162329 Ry\n estimated scf accuracy < 0.00358442 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.34E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.846E-02 0.000E+00\n\n total cpu time spent up to now is 160.5 secs\n\n total energy = -1655.76084850 Ry\n estimated scf accuracy < 0.16591215 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.34E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.872E-02 0.000E+00\n\n total cpu time spent up to now is 164.6 secs\n\n total energy = -1655.76205582 Ry\n estimated scf accuracy < 0.00053719 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.00E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.886E-02 0.000E+00\n\n total cpu time spent up to now is 169.5 secs\n\n total energy = -1655.76233754 Ry\n estimated scf accuracy < 0.00032674 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.22E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.881E-02 0.000E+00\n\n total cpu time spent up to now is 174.0 secs\n\n total energy = -1655.76237859 Ry\n estimated scf accuracy < 0.00018834 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.03E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.882E-02 0.000E+00\n\n total cpu time spent up to now is 178.5 secs\n\n total energy = -1655.76240402 Ry\n estimated scf accuracy < 0.00001975 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.37E-09, avg # of iterations = 16.0\n\n negative rho (up, down): 2.875E-02 0.000E+00\n\n total cpu time spent up to now is 184.9 secs\n\n total energy = -1655.76245035 Ry\n estimated scf accuracy < 0.00004702 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.37E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.853E-02 0.000E+00\n\n total cpu time spent up to now is 189.2 secs\n\n total energy = -1655.76244946 Ry\n estimated scf accuracy < 0.00002098 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.37E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.845E-02 0.000E+00\n\n total cpu time spent up to now is 193.6 secs\n\n total energy = -1655.76245027 Ry\n estimated scf accuracy < 0.00000446 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.66E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.840E-02 0.000E+00\n\n total cpu time spent up to now is 198.4 secs\n\n total energy = -1655.76245300 Ry\n estimated scf accuracy < 0.00000134 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.00E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.839E-02 0.000E+00\n\n total cpu time spent up to now is 203.7 secs\n\n total energy = -1655.76245419 Ry\n estimated scf accuracy < 0.00000079 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.95E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 208.1 secs\n\n total energy = -1655.76245433 Ry\n estimated scf accuracy < 0.00000054 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.03E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 212.8 secs\n\n total energy = -1655.76245451 Ry\n estimated scf accuracy < 0.00000027 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 217.4 secs\n\n total energy = -1655.76245464 Ry\n estimated scf accuracy < 0.00000014 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.32E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 222.5 secs\n\n total energy = -1655.76245474 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.12E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 227.4 secs\n\n total energy = -1655.76245477 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-11, avg # of iterations = 6.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 232.2 secs\n\n total energy = -1655.76245479 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.42E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 236.8 secs\n\n total energy = -1655.76245479 Ry\n estimated scf accuracy < 9.0E-09 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.34E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 241.6 secs\n\n total energy = -1655.76245478 Ry\n estimated scf accuracy < 8.1E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.04E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 246.0 secs\n\n total energy = -1655.76245479 Ry\n estimated scf accuracy < 3.5E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.31E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 251.0 secs\n\n total energy = -1655.76245478 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.49E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 256.1 secs\n\n total energy = -1655.76245479 Ry\n estimated scf accuracy < 6.0E-10 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.23E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 260.3 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.7978 -32.7914 -32.7481 -32.7293 -32.6741 -32.5489 -32.2498 -32.1506\n -32.0289 -31.9996 -30.6633 -29.6154 -29.1941 -28.9400 -28.9098 -28.9048\n -28.9033 -28.8712 -28.7804 -28.5811 -28.5496 -28.4188 -28.1593 -28.1165\n -27.4312 -26.8019 -25.5319 -24.7903 -24.3603 -23.9856 -22.7982 -21.9124\n -20.6684 -19.2214 -18.6910 -18.1968 -17.6930 -17.4108 -17.3715 -17.2098\n -17.0863 -16.9127 -16.6161 -16.5920 -16.5571 -16.5259 -16.4388 -16.3826\n -15.6950 -15.6606 -15.4690 -15.2763 -15.1512 -15.0309 -15.0080 -14.8250\n -14.7051 -14.6301 -14.5873 -14.5499 -14.4803 -14.4769 -14.4326 -14.3664\n -14.3010 -14.2546 -14.2430 -14.2228 -14.2008 -14.1636 -14.0612 -14.0477\n -14.0314 -13.9901 -13.9647 -13.8651 -13.8141 -13.8002 -13.7681 -13.7353\n -13.6808 -13.6322 -13.1649 -13.0746 -12.7200 -12.4747 -12.0961 -12.0411\n -11.8116 -11.4598 -11.3992 -11.3014 -10.9465 -10.7473 -10.4973 -9.9622\n -9.9150 -9.7739 -9.7585 -9.7032 -9.6729 -9.6266 -9.5692 -9.5209\n -9.4836 -9.4420 -9.3965 -9.3385 -9.3062 -9.1757 -9.1386 -9.1106\n -9.0340 -8.9919 -8.9553 -8.9516 -8.8728 -8.8465 -8.6337 -8.5956\n -8.5289 -8.2331 -8.0874 -7.9935 -7.6936 -7.5484 -7.2574 -7.1827\n -6.9733 -6.8135 -6.4054 -6.3530 -6.2907 -6.0849 -6.0704 -5.8884\n -5.6073 -4.9430 -4.8158 -4.6398 -4.5646 -4.2037 -4.1274 -4.0329\n -3.9979 -3.8900 -3.8369 -3.7165 -3.6912 -3.6790 -3.6018 -3.5385\n -3.4562 -3.2591 -3.0564 -2.8049 -2.4044 -2.3116 -0.7320 -0.4026\n -0.1485\n\n the Fermi energy is -6.0776 ev\n\n! total energy = -1655.76245481 Ry\n total all-electron energy = -6224.594803 Ry\n estimated scf accuracy < 2.2E-10 Ry\n smearing contrib. (-TS) = -0.00557920 Ry\n internal energy E=F+TS = -1655.75687561 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18264.51282329 Ry\n hartree contribution = 9165.33581404 Ry\n xc contribution = -312.71742529 Ry\n ewald contribution = 8184.11035691 Ry\n DFT-D3 Dispersion = -0.16174273 Ry\n one-center paw contrib. = -427.81105526 Ry\n\n convergence has been achieved in 23 iterations\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00164683 -0.00056711 0.00279052\n atom 2 type 1 force = 0.00174450 0.00069826 0.00140965\n atom 3 type 2 force = 0.00181625 -0.00033319 0.00138559\n atom 4 type 2 force = 0.00139848 0.00038150 -0.00025963\n atom 5 type 1 force = 0.00102562 -0.00036856 0.00031701\n atom 6 type 1 force = 0.00023406 -0.00126924 0.00092674\n atom 7 type 2 force = 0.00128805 0.00185507 -0.00094119\n atom 8 type 2 force = 0.00164844 -0.00188235 -0.00006695\n atom 9 type 1 force = 0.00248732 0.00058399 -0.00221633\n atom 10 type 1 force = 0.00008074 0.00109887 0.00112496\n atom 11 type 2 force = 0.00096237 -0.00156744 0.00035108\n atom 12 type 2 force = -0.00056957 0.00027087 0.00000738\n atom 13 type 1 force = 0.00150288 0.00058395 0.00190488\n atom 14 type 1 force = 0.00239385 0.00100228 -0.00252937\n atom 15 type 1 force = -0.00075860 -0.00254215 -0.00272453\n atom 16 type 2 force = 0.00130519 0.00056222 -0.00081900\n atom 17 type 2 force = 0.00106803 0.00241916 -0.00015701\n atom 18 type 1 force = -0.00270405 0.00132271 0.00472097\n atom 19 type 1 force = 0.00085338 0.00426960 -0.00229547\n atom 20 type 2 force = 0.00063651 0.00057985 0.00011255\n atom 21 type 2 force = 0.00016035 -0.00014705 0.00197552\n atom 22 type 3 force = -0.00207126 0.00077948 0.00297270\n atom 23 type 1 force = 0.00013840 -0.00179789 -0.00056855\n atom 24 type 1 force = 0.00001704 0.00304863 -0.00131205\n atom 25 type 1 force = 0.00068672 -0.00062187 -0.00045067\n atom 26 type 1 force = -0.00030767 0.00003751 -0.00150484\n atom 27 type 1 force = 0.00161815 0.00101122 -0.00224078\n atom 28 type 1 force = 0.00018160 0.00005707 -0.00012629\n atom 29 type 3 force = -0.00334221 -0.00101754 -0.00004140\n atom 30 type 1 force = -0.00400963 -0.00030082 0.00071018\n atom 31 type 1 force = -0.00408938 -0.00225593 0.00022278\n atom 32 type 2 force = -0.00085704 0.00147947 -0.00079191\n atom 33 type 2 force = 0.00069193 0.00126638 0.00140866\n atom 34 type 1 force = -0.00044702 0.00302044 -0.00173166\n atom 35 type 1 force = -0.00048737 0.00056756 0.00042496\n atom 36 type 2 force = 0.00175678 -0.00119931 0.00091185\n atom 37 type 2 force = -0.00229220 -0.00008253 -0.00063183\n atom 38 type 1 force = 0.00045397 -0.00264391 -0.00096414\n atom 39 type 1 force = -0.00043683 -0.00031223 -0.00053493\n atom 40 type 1 force = 0.00151280 0.00153795 -0.00399174\n atom 41 type 2 force = -0.00123742 -0.00134820 0.00025927\n atom 42 type 2 force = 0.00040480 -0.00052427 0.00227539\n atom 43 type 1 force = 0.00030284 -0.00007955 -0.00008785\n atom 44 type 1 force = -0.00007050 0.00075580 0.00060924\n atom 45 type 2 force = -0.00019730 -0.00233883 0.00073930\n atom 46 type 2 force = 0.00008072 -0.00269633 0.00089916\n atom 47 type 1 force = -0.00124046 -0.00000033 0.00014487\n atom 48 type 1 force = -0.00303548 -0.00214887 -0.00052630\n atom 49 type 2 force = -0.00204095 -0.00170479 -0.00013253\n atom 50 type 2 force = 0.00009632 0.00056046 -0.00095826\n\n Total force = 0.019025 Total SCF correction = 0.000041\n Energy error = 5.8E-04 Ry\n Gradient error = 4.7E-03 Ry/Bohr\n\n number of scf cycles = 52\n number of bfgs steps = 51\n\n energy old = -1655.7618762172 Ry\n energy new = -1655.7624548139 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0456033441 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7988128339 9.8350629354 9.2601631680\nN 10.5956658070 9.9744888644 8.0675611734\nO 9.6086913025 9.3706249246 8.4600095659\nO 10.7089129611 10.8701133354 7.2626022446\nN 13.0956689590 8.5567339800 9.1982563003\nN 12.2417179238 7.1235803498 10.4614930419\nO 12.1896836437 7.4506834015 11.6235622093\nO 11.9806555261 6.1294645038 9.8432042031\nN 14.3317581344 8.0773164317 9.6698108287\nN 15.1155758325 8.4658862170 6.7896131002\nO 14.6970578359 9.5557293598 6.4547109248\nO 15.8909541351 7.6813022173 6.2889388378\nN 15.0952901365 8.8519583835 10.3212103500\nN 16.3814669439 8.4042203887 10.3214369970\nN 16.4744244696 6.5146889529 10.0846329755\nO 17.2350057772 6.1910871968 9.2145056355\nO 15.7777416891 5.9124257497 10.8610138977\nN 17.2413139885 8.9572765121 11.1546426422\nN 17.3575403838 8.1705141073 12.8583391201\nO 17.7530110830 7.0272235088 12.8412428888\nO 16.9560152700 8.8934851508 13.7328405857\nC 18.4841342883 9.2835570854 10.5912014357\nN 19.5621912365 8.4409321374 9.8321020510\nN 19.5739291184 9.5584166542 8.7155689235\nN 20.6496777516 10.3159520232 9.5166876335\nN 19.5797158997 11.1411528327 10.2713183357\nN 19.5497905139 10.0157026425 11.3860011612\nN 20.6368369235 9.2518300298 10.6020818944\nC 18.5214964077 10.3338634418 9.4717239108\nN 17.3563278344 10.7881150972 8.8400196947\nN 17.6666440991 11.3794215658 7.1198584841\nO 17.6523981338 12.5866251410 7.0422338260\nO 17.7443000641 10.4933141001 6.3083826503\nN 16.5674530074 11.5234851619 9.6056944747\nN 16.9850021139 13.4317684984 9.9183259921\nO 16.3326164928 14.1690938224 9.2281301546\nO 17.8139493510 13.5905643734 10.7718346278\nN 15.2362835828 11.3244552178 9.4747183192\nN 14.5400016426 12.1778805166 10.1113635661\nN 15.1658703860 11.6365402548 12.9239219644\nO 15.9937233028 12.2858042072 13.5246613111\nO 14.3476844425 10.8042503276 13.2498952043\nN 13.2053153928 11.8601175984 10.4171013695\nN 12.5959245541 13.3985944529 9.0164750979\nO 12.7029406943 13.0753814798 7.8591139520\nO 12.2846476722 14.4075443537 9.5918138639\nN 12.7822664304 10.6254273265 10.2998969232\nN 10.6093320421 10.7312128629 11.4237688158\nO 9.6170098991 11.0750303615 10.7950025925\nO 10.7182651285 10.2857782203 12.5421128126\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 270.5 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 29.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 282.8 secs\n\n total energy = -1655.76137544 Ry\n estimated scf accuracy < 0.01277735 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.77E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.848E-02 0.000E+00\n\n total cpu time spent up to now is 286.9 secs\n\n total energy = -1655.75901806 Ry\n estimated scf accuracy < 0.52174658 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.77E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.862E-02 0.000E+00\n\n total cpu time spent up to now is 291.1 secs\n\n total energy = -1655.76272492 Ry\n estimated scf accuracy < 0.00099801 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.72E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.878E-02 0.000E+00\n\n total cpu time spent up to now is 295.4 secs\n\n total energy = -1655.76280483 Ry\n estimated scf accuracy < 0.00276741 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.72E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.890E-02 0.000E+00\n\n total cpu time spent up to now is 299.6 secs\n\n total energy = -1655.76285739 Ry\n estimated scf accuracy < 0.00032370 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.21E-07, avg # of iterations = 12.0\n\n negative rho (up, down): 2.885E-02 0.000E+00\n\n total cpu time spent up to now is 304.4 secs\n\n total energy = -1655.76302122 Ry\n estimated scf accuracy < 0.00025793 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.62E-08, avg # of iterations = 3.0\n\n negative rho (up, down): 2.880E-02 0.000E+00\n\n total cpu time spent up to now is 308.8 secs\n\n total energy = -1655.76304494 Ry\n estimated scf accuracy < 0.00003918 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.46E-08, avg # of iterations = 13.0\n\n negative rho (up, down): 2.877E-02 0.000E+00\n\n total cpu time spent up to now is 314.2 secs\n\n total energy = -1655.76308387 Ry\n estimated scf accuracy < 0.00001669 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.23E-09, avg # of iterations = 11.0\n\n negative rho (up, down): 2.865E-02 0.000E+00\n\n total cpu time spent up to now is 319.1 secs\n\n total energy = -1655.76308945 Ry\n estimated scf accuracy < 0.00005543 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.23E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.862E-02 0.000E+00\n\n total cpu time spent up to now is 323.5 secs\n\n total energy = -1655.76309131 Ry\n estimated scf accuracy < 0.00004254 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.23E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.857E-02 0.000E+00\n\n total cpu time spent up to now is 327.8 secs\n\n total energy = -1655.76309238 Ry\n estimated scf accuracy < 0.00002745 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.23E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.850E-02 0.000E+00\n\n total cpu time spent up to now is 332.1 secs\n\n total energy = -1655.76309309 Ry\n estimated scf accuracy < 0.00000206 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.67E-10, avg # of iterations = 14.0\n\n negative rho (up, down): 2.847E-02 0.000E+00\n\n total cpu time spent up to now is 337.7 secs\n\n total energy = -1655.76309595 Ry\n estimated scf accuracy < 0.00000118 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.39E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.838E-02 0.000E+00\n\n total cpu time spent up to now is 342.0 secs\n\n total energy = -1655.76309618 Ry\n estimated scf accuracy < 0.00000053 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.97E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 347.2 secs\n\n total energy = -1655.76309665 Ry\n estimated scf accuracy < 0.00000014 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.36E-11, avg # of iterations = 14.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 352.8 secs\n\n total energy = -1655.76309685 Ry\n estimated scf accuracy < 0.00000007 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.52E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 357.7 secs\n\n total energy = -1655.76309694 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.52E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 362.2 secs\n\n total energy = -1655.76309698 Ry\n estimated scf accuracy < 0.00000007 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.52E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 366.5 secs\n\n total energy = -1655.76309700 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 370.8 secs\n\n total energy = -1655.76309702 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.33E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 376.1 secs\n\n total energy = -1655.76309704 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.25E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 380.5 secs\n\n total energy = -1655.76309706 Ry\n estimated scf accuracy < 7.7E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.86E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 385.0 secs\n\n total energy = -1655.76309709 Ry\n estimated scf accuracy < 9.3E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.86E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 389.3 secs\n\n total energy = -1655.76309712 Ry\n estimated scf accuracy < 2.4E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.82E-13, avg # of iterations = 12.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 394.5 secs\n\n total energy = -1655.76309713 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.18E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 399.1 secs\n\n total energy = -1655.76309715 Ry\n estimated scf accuracy < 5.2E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.96E-13, avg # of iterations = 13.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 404.1 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.7926 -32.7784 -32.7439 -32.7412 -32.6572 -32.5711 -32.2079 -32.1469\n -32.0341 -32.0034 -30.6470 -29.6044 -29.1907 -28.9304 -28.9116 -28.9011\n -28.8793 -28.8762 -28.8200 -28.5748 -28.4988 -28.4103 -28.1617 -28.1206\n -27.4231 -26.8026 -25.5338 -24.7746 -24.3470 -23.9836 -22.7972 -21.9223\n -20.6742 -19.2293 -18.6882 -18.1984 -17.7211 -17.4395 -17.3915 -17.2261\n -17.0971 -16.9322 -16.6110 -16.5875 -16.5571 -16.5325 -16.4431 -16.3857\n -15.6967 -15.6600 -15.4785 -15.2874 -15.1439 -15.0324 -15.0136 -14.8351\n -14.7069 -14.6326 -14.6024 -14.5635 -14.4744 -14.4677 -14.4345 -14.3914\n -14.2934 -14.2494 -14.2440 -14.2190 -14.2157 -14.1892 -14.0571 -14.0296\n -14.0053 -13.9851 -13.9603 -13.8636 -13.8197 -13.8006 -13.7684 -13.7258\n -13.6770 -13.6333 -13.1643 -13.0649 -12.7111 -12.4618 -12.0945 -12.0414\n -11.8047 -11.4614 -11.4098 -11.2925 -10.9438 -10.7499 -10.4819 -9.9722\n -9.9183 -9.7734 -9.7599 -9.6955 -9.6674 -9.6296 -9.5930 -9.5181\n -9.4830 -9.4246 -9.3928 -9.3328 -9.3144 -9.1709 -9.1408 -9.1167\n -9.0472 -8.9963 -8.9591 -8.9313 -8.8589 -8.8414 -8.6363 -8.5979\n -8.5298 -8.2385 -8.0966 -7.9993 -7.7003 -7.5534 -7.2726 -7.1922\n -6.9859 -6.8219 -6.4065 -6.3589 -6.2913 -6.0865 -6.0726 -5.8796\n -5.5945 -4.9335 -4.8006 -4.6290 -4.5504 -4.2149 -4.1362 -4.0457\n -3.9996 -3.9045 -3.8544 -3.7057 -3.6882 -3.6849 -3.6114 -3.5405\n -3.4472 -3.2636 -3.0644 -2.7981 -2.4102 -2.3166 -0.7620 -0.4042\n -0.1512\n\n the Fermi energy is -6.0795 ev\n\n! total energy = -1655.76309717 Ry\n total all-electron energy = -6224.595445 Ry\n estimated scf accuracy < 2.6E-10 Ry\n smearing contrib. (-TS) = -0.00558423 Ry\n internal energy E=F+TS = -1655.75751294 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18271.15634774 Ry\n hartree contribution = 9168.64392897 Ry\n xc contribution = -312.70202489 Ry\n ewald contribution = 8187.42907986 Ry\n DFT-D3 Dispersion = -0.16179402 Ry\n one-center paw contrib. = -427.81035512 Ry\n\n convergence has been achieved in 27 iterations\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00284627 -0.00135950 0.00333397\n atom 2 type 1 force = 0.00107654 0.00046729 0.00166760\n atom 3 type 2 force = 0.00439173 -0.00047118 0.00086687\n atom 4 type 2 force = 0.00219690 0.00031662 -0.00038626\n atom 5 type 1 force = 0.00193040 -0.00048414 0.00079118\n atom 6 type 1 force = -0.00045519 0.00037663 0.00169678\n atom 7 type 2 force = 0.00106121 -0.00056166 -0.00400977\n atom 8 type 2 force = 0.00229402 -0.00102012 0.00215065\n atom 9 type 1 force = 0.00144751 -0.00023263 -0.00297677\n atom 10 type 1 force = 0.00016160 0.00119037 0.00082592\n atom 11 type 2 force = 0.00074839 -0.00118201 0.00051699\n atom 12 type 2 force = -0.00037656 -0.00015483 0.00010837\n atom 13 type 1 force = 0.00077903 0.00001520 0.00273366\n atom 14 type 1 force = 0.00241491 0.00249308 -0.00316875\n atom 15 type 1 force = 0.00017122 -0.00179703 -0.00375202\n atom 16 type 2 force = 0.00091053 0.00053211 -0.00033710\n atom 17 type 2 force = 0.00021032 0.00200327 0.00045355\n atom 18 type 1 force = -0.00188383 0.00070847 0.00334228\n atom 19 type 1 force = 0.00001263 0.00267454 0.00002427\n atom 20 type 2 force = 0.00045770 0.00248125 -0.00024630\n atom 21 type 2 force = 0.00090940 -0.00054442 0.00101843\n atom 22 type 3 force = -0.00110396 0.00000590 0.00092367\n atom 23 type 1 force = 0.00045736 -0.00039337 -0.00141484\n atom 24 type 1 force = -0.00100452 0.00091651 -0.00100532\n atom 25 type 1 force = -0.00048059 -0.00022256 0.00069498\n atom 26 type 1 force = -0.00052542 -0.00057585 -0.00097121\n atom 27 type 1 force = -0.00041543 0.00327760 -0.00229325\n atom 28 type 1 force = -0.00229478 -0.00081621 0.00015401\n atom 29 type 3 force = -0.00121814 -0.00049308 0.00015393\n atom 30 type 1 force = -0.00353102 -0.00046274 0.00158785\n atom 31 type 1 force = -0.00421789 0.00086714 -0.00089898\n atom 32 type 2 force = -0.00056751 -0.00246101 -0.00161516\n atom 33 type 2 force = 0.00038233 0.00295651 0.00337189\n atom 34 type 1 force = 0.00092929 0.00153385 -0.00119552\n atom 35 type 1 force = -0.00086728 0.00281415 0.00208510\n atom 36 type 2 force = 0.00111674 -0.00125219 -0.00023875\n atom 37 type 2 force = -0.00211812 -0.00176337 -0.00126196\n atom 38 type 1 force = -0.00046578 -0.00225730 -0.00079678\n atom 39 type 1 force = 0.00028309 -0.00060034 -0.00143428\n atom 40 type 1 force = -0.00029931 -0.00073250 -0.00148977\n atom 41 type 2 force = -0.00114564 -0.00106120 -0.00056096\n atom 42 type 2 force = 0.00211418 0.00145646 0.00058080\n atom 43 type 1 force = 0.00074260 -0.00009617 0.00084734\n atom 44 type 1 force = 0.00040489 -0.00026294 0.00285410\n atom 45 type 2 force = -0.00080634 -0.00041168 0.00031787\n atom 46 type 2 force = 0.00054701 -0.00368275 -0.00121242\n atom 47 type 1 force = -0.00054515 0.00145385 -0.00047341\n atom 48 type 1 force = -0.00362273 -0.00291299 -0.00176599\n atom 49 type 2 force = -0.00259001 -0.00121318 0.00102737\n atom 50 type 2 force = -0.00046261 0.00093817 -0.00062386\n\n Total force = 0.019957 Total SCF correction = 0.000040\n Energy error = 6.4E-04 Ry\n Gradient error = 4.4E-03 Ry/Bohr\n\n number of scf cycles = 53\n number of bfgs steps = 52\n\n energy old = -1655.7624548139 Ry\n energy new = -1655.7630971699 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0522231305 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7900253777 9.8260260264 9.2623800297\nN 10.5976148835 9.9710562206 8.0772532639\nO 9.6104261486 9.3663822196 8.4688378800\nO 10.7097724152 10.8721093113 7.2771110898\nN 13.0981634767 8.5501594467 9.2002549163\nN 12.2479048381 7.1191105688 10.4642709990\nO 12.2006889347 7.4519803837 11.6248903797\nO 11.9762941332 6.1274773792 9.8475958543\nN 14.3382966810 8.0786817782 9.6735740975\nN 15.1197302057 8.4608200165 6.7862481458\nO 14.6956079564 9.5473077258 6.4458992541\nO 15.8949101981 7.6761283039 6.2839952652\nN 15.0985819740 8.8556266875 10.3257519517\nN 16.3854743656 8.4087082275 10.3299188425\nN 16.4874347703 6.5194095660 10.0813261696\nO 17.2479265811 6.2089907096 9.2063779531\nO 15.7977794844 5.9088333458 10.8571925780\nN 17.2421640249 8.9677023635 11.1646990775\nN 17.3685170944 8.1798038667 12.8516818810\nO 17.7598012520 7.0345798440 12.8279561230\nO 16.9698891194 8.8960149482 13.7327926889\nC 18.4852005473 9.2942263328 10.5943418226\nN 19.5623304634 8.4471076511 9.8331887698\nN 19.5722829701 9.5638187420 8.7127156335\nN 20.6499503921 10.3215465271 9.5087687203\nN 19.5806195108 11.1498263677 10.2618333764\nN 19.5545485759 10.0288599202 11.3803818624\nN 20.6384692571 9.2619095691 10.5979051068\nC 18.5172997623 10.3377293799 9.4692095589\nN 17.3486749877 10.7881602380 8.8360579313\nN 17.6583270884 11.3784963000 7.1200400206\nO 17.6247955361 12.5865502521 7.0435755689\nO 17.7592281608 10.4945330083 6.3072050838\nN 16.5597441046 11.5280800456 9.5950101466\nN 16.9825641281 13.4288318471 9.9200371606\nO 16.3298864523 14.1699929325 9.2367761768\nO 17.8083788003 13.5820653125 10.7772411672\nN 15.2287452540 11.3234038713 9.4695891803\nN 14.5310367936 12.1751846715 10.1053474341\nN 15.1714067897 11.6365761138 12.9253935859\nO 15.9991536117 12.2872885064 13.5240939292\nO 14.3484531175 10.8126018620 13.2632909192\nN 13.1977348801 11.8553959216 10.4137692762\nN 12.5803786123 13.3892235205 9.0188688617\nO 12.6905287874 13.0601868485 7.8640572295\nO 12.2638703969 14.3965930175 9.5924594297\nN 12.7743048394 10.6193712663 10.3005753535\nN 10.6102378723 10.7222082878 11.4237239569\nO 9.6171216031 11.0583305284 10.7916734213\nO 10.7204158330 10.2806704776 12.5436626084\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 414.2 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 32.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 427.4 secs\n\n total energy = -1655.76158013 Ry\n estimated scf accuracy < 0.01427417 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.33E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.831E-02 0.000E+00\n\n total cpu time spent up to now is 431.5 secs\n\n total energy = -1655.75905276 Ry\n estimated scf accuracy < 0.59936361 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.33E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 435.6 secs\n\n total energy = -1655.76321365 Ry\n estimated scf accuracy < 0.00174649 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.52E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.835E-02 0.000E+00\n\n total cpu time spent up to now is 439.8 secs\n\n total energy = -1655.76328234 Ry\n estimated scf accuracy < 0.00659569 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.52E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.840E-02 0.000E+00\n\n total cpu time spent up to now is 444.0 secs\n\n total energy = -1655.76339027 Ry\n estimated scf accuracy < 0.00014165 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.29E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 449.8 secs\n\n total energy = -1655.76365360 Ry\n estimated scf accuracy < 0.00103370 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.29E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 454.1 secs\n\n total energy = -1655.76365054 Ry\n estimated scf accuracy < 0.00080208 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.29E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.842E-02 0.000E+00\n\n total cpu time spent up to now is 458.4 secs\n\n total energy = -1655.76362894 Ry\n estimated scf accuracy < 0.00093446 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.29E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.843E-02 0.000E+00\n\n total cpu time spent up to now is 462.7 secs\n\n total energy = -1655.76364059 Ry\n estimated scf accuracy < 0.00003421 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.28E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.842E-02 0.000E+00\n\n total cpu time spent up to now is 467.3 secs\n\n total energy = -1655.76364592 Ry\n estimated scf accuracy < 0.00001385 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.17E-09, avg # of iterations = 16.0\n\n negative rho (up, down): 2.840E-02 0.000E+00\n\n total cpu time spent up to now is 472.8 secs\n\n total energy = -1655.76365824 Ry\n estimated scf accuracy < 0.00005140 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.17E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 477.1 secs\n\n total energy = -1655.76365882 Ry\n estimated scf accuracy < 0.00000183 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.82E-10, avg # of iterations = 18.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 483.0 secs\n\n total energy = -1655.76366189 Ry\n estimated scf accuracy < 0.00000095 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.54E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 487.6 secs\n\n total energy = -1655.76366206 Ry\n estimated scf accuracy < 0.00000046 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 492.7 secs\n\n total energy = -1655.76366240 Ry\n estimated scf accuracy < 0.00000028 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 497.5 secs\n\n total energy = -1655.76366250 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.87E-11, avg # of iterations = 14.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 503.0 secs\n\n total energy = -1655.76366258 Ry\n estimated scf accuracy < 0.00000007 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.64E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 507.4 secs\n\n total energy = -1655.76366261 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 512.5 secs\n\n total energy = -1655.76366264 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.27E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 517.3 secs\n\n total energy = -1655.76366266 Ry\n estimated scf accuracy < 8.1E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.01E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 522.4 secs\n\n total energy = -1655.76366267 Ry\n estimated scf accuracy < 8.7E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.01E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 526.8 secs\n\n total energy = -1655.76366268 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.01E-12, avg # of iterations = 1.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 531.1 secs\n\n total energy = -1655.76366270 Ry\n estimated scf accuracy < 3.5E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.31E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 535.6 secs\n\n total energy = -1655.76366271 Ry\n estimated scf accuracy < 2.3E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.58E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 540.2 secs\n\n total energy = -1655.76366273 Ry\n estimated scf accuracy < 2.0E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.53E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 544.9 secs\n\n total energy = -1655.76366274 Ry\n estimated scf accuracy < 7.9E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.94E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 549.9 secs\n\n total energy = -1655.76366274 Ry\n estimated scf accuracy < 5.9E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 553.8 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8052 -32.7956 -32.7552 -32.7217 -32.6697 -32.6005 -32.1827 -32.1271\n -32.0277 -31.9932 -30.6417 -29.5984 -29.1920 -28.9541 -28.9349 -28.9206\n -28.8717 -28.8587 -28.8487 -28.5710 -28.4549 -28.3871 -28.1561 -28.1152\n -27.4199 -26.8057 -25.5332 -24.7697 -24.3394 -23.9788 -22.7997 -21.9218\n -20.6754 -19.2308 -18.6835 -18.1982 -17.7466 -17.4631 -17.4008 -17.2435\n -17.1018 -16.9454 -16.6120 -16.5688 -16.5527 -16.5349 -16.4449 -16.3875\n -15.6960 -15.6605 -15.4896 -15.3031 -15.1422 -15.0344 -15.0213 -14.8450\n -14.7178 -14.6449 -14.6168 -14.5782 -14.4854 -14.4600 -14.4364 -14.4171\n -14.2899 -14.2575 -14.2489 -14.2366 -14.2114 -14.2083 -14.0632 -14.0013\n -13.9799 -13.9729 -13.9444 -13.8609 -13.8206 -13.7970 -13.7641 -13.7118\n -13.6647 -13.6233 -13.1661 -13.0584 -12.7048 -12.4515 -12.0951 -12.0471\n -11.8000 -11.4620 -11.4170 -11.2886 -10.9428 -10.7553 -10.4701 -9.9807\n -9.9214 -9.7740 -9.7638 -9.6912 -9.6620 -9.6383 -9.6118 -9.5236\n -9.4894 -9.4006 -9.3824 -9.3291 -9.3179 -9.1697 -9.1477 -9.1240\n -9.0597 -8.9957 -8.9685 -8.9087 -8.8456 -8.8298 -8.6368 -8.5965\n -8.5273 -8.2440 -8.1045 -8.0018 -7.7053 -7.5580 -7.2843 -7.1965\n -6.9937 -6.8284 -6.4061 -6.3596 -6.2899 -6.0875 -6.0747 -5.8696\n -5.5832 -4.9223 -4.7878 -4.6318 -4.5267 -4.2203 -4.1395 -4.0586\n -4.0006 -3.9106 -3.8615 -3.6959 -3.6848 -3.6799 -3.6139 -3.5422\n -3.4357 -3.2628 -3.0704 -2.7920 -2.4107 -2.3182 -0.7753 -0.4055\n -0.1537\n\n the Fermi energy is -6.0811 ev\n\n! total energy = -1655.76366277 Ry\n total all-electron energy = -6224.596011 Ry\n estimated scf accuracy < 2.7E-10 Ry\n smearing contrib. (-TS) = -0.00559265 Ry\n internal energy E=F+TS = -1655.75807012 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18274.48795889 Ry\n hartree contribution = 9170.29817452 Ry\n xc contribution = -312.69797026 Ry\n ewald contribution = 8189.10127900 Ry\n DFT-D3 Dispersion = -0.16178102 Ry\n one-center paw contrib. = -427.80981347 Ry\n\n convergence has been achieved in 28 iterations\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00360057 -0.00179015 0.00320582\n atom 2 type 1 force = 0.00013633 0.00118544 0.00070022\n atom 3 type 2 force = 0.00465947 -0.00007569 0.00007632\n atom 4 type 2 force = 0.00181676 -0.00129044 0.00093422\n atom 5 type 1 force = 0.00250498 -0.00012636 0.00141681\n atom 6 type 1 force = -0.00007874 0.00278890 0.00130529\n atom 7 type 2 force = 0.00068120 -0.00160701 -0.00386632\n atom 8 type 2 force = 0.00224419 -0.00227727 0.00238991\n atom 9 type 1 force = 0.00083019 -0.00033613 -0.00315184\n atom 10 type 1 force = 0.00081070 0.00128527 -0.00031390\n atom 11 type 2 force = 0.00087940 -0.00172945 0.00099107\n atom 12 type 2 force = -0.00111315 0.00036465 0.00081760\n atom 13 type 1 force = -0.00001739 -0.00113567 0.00246798\n atom 14 type 1 force = 0.00161145 0.00351119 -0.00300751\n atom 15 type 1 force = 0.00069370 -0.00071255 -0.00310762\n atom 16 type 2 force = -0.00004006 -0.00005092 0.00026660\n atom 17 type 2 force = 0.00047729 0.00184163 -0.00057624\n atom 18 type 1 force = 0.00111090 0.00108513 0.00065181\n atom 19 type 1 force = -0.00090803 0.00042946 0.00119235\n atom 20 type 2 force = 0.00089257 0.00308908 -0.00085037\n atom 21 type 2 force = 0.00097530 0.00071815 0.00126863\n atom 22 type 3 force = -0.00148957 -0.00107981 -0.00029145\n atom 23 type 1 force = 0.00012893 0.00101806 -0.00130670\n atom 24 type 1 force = -0.00168294 -0.00146853 -0.00061287\n atom 25 type 1 force = -0.00117830 0.00029151 0.00083109\n atom 26 type 1 force = -0.00120610 -0.00035504 -0.00059998\n atom 27 type 1 force = -0.00238883 0.00372870 -0.00133538\n atom 28 type 1 force = -0.00232782 -0.00098468 0.00022948\n atom 29 type 3 force = -0.00010197 0.00060952 -0.00042925\n atom 30 type 1 force = -0.00033935 -0.00146214 0.00124453\n atom 31 type 1 force = -0.00322061 0.00172142 -0.00240719\n atom 32 type 2 force = -0.00061969 -0.00508962 -0.00217193\n atom 33 type 2 force = -0.00040098 0.00504489 0.00536067\n atom 34 type 1 force = 0.00069909 0.00058725 0.00054263\n atom 35 type 1 force = -0.00072130 0.00165632 0.00343326\n atom 36 type 2 force = -0.00073892 0.00093812 -0.00246440\n atom 37 type 2 force = -0.00123913 -0.00251751 -0.00076630\n atom 38 type 1 force = 0.00019051 -0.00263999 -0.00110756\n atom 39 type 1 force = -0.00053038 0.00037190 -0.00086691\n atom 40 type 1 force = -0.00189709 -0.00254261 0.00027288\n atom 41 type 2 force = 0.00069489 0.00070362 -0.00078639\n atom 42 type 2 force = 0.00185185 0.00148150 -0.00100264\n atom 43 type 1 force = 0.00036129 -0.00043644 0.00137788\n atom 44 type 1 force = 0.00121110 -0.00270359 0.00366549\n atom 45 type 2 force = -0.00103626 0.00060997 -0.00072266\n atom 46 type 2 force = 0.00032570 -0.00219175 -0.00122164\n atom 47 type 1 force = 0.00013139 0.00242775 -0.00066336\n atom 48 type 1 force = -0.00353275 -0.00328051 -0.00168687\n atom 49 type 2 force = -0.00134371 -0.00103424 0.00206136\n atom 50 type 2 force = -0.00136671 0.00142869 -0.00138662\n\n Total force = 0.021988 Total SCF correction = 0.000035\n Energy error = 5.7E-04 Ry\n Gradient error = 5.4E-03 Ry/Bohr\n\n number of scf cycles = 54\n number of bfgs steps = 53\n\n energy old = -1655.7630971699 Ry\n energy new = -1655.7636627725 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0580486706 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7838950757 9.8147683758 9.2689972448\nN 10.5999407007 9.9675482324 8.0878349495\nO 9.6134761262 9.3601034029 8.4776125172\nO 10.7111908803 10.8738082464 7.2935240692\nN 13.1025823440 8.5422362593 9.2050401772\nN 12.2538733386 7.1142832902 10.4672723728\nO 12.2108991466 7.4519334591 11.6270064941\nO 11.9702569755 6.1232127720 9.8537424245\nN 14.3479769010 8.0797944171 9.6740195494\nN 15.1242313215 8.4547302145 6.7813517594\nO 14.6946506755 9.5368821126 6.4360072005\nO 15.8993852304 7.6706511483 6.2783229284\nN 15.1031173486 8.8581231839 10.3314629107\nN 16.3919954721 8.4182168980 10.3350105102\nN 16.5028257426 6.5252911402 10.0751293963\nO 17.2627477654 6.2269384858 9.1969753866\nO 15.8201045219 5.9101916934 10.8513793743\nN 17.2434003842 8.9825997702 11.1762085011\nN 17.3798311333 8.1907146654 12.8452886230\nO 17.7688080653 7.0441071694 12.8124749946\nO 16.9866350765 8.8995549491 13.7357045351\nC 18.4853584697 9.3053163795 10.5984098581\nN 19.5622887540 8.4535307627 9.8339305137\nN 19.5694850577 9.5683414291 8.7094187637\nN 20.6497206632 10.3270979815 9.5004410895\nN 19.5809601994 11.1586218032 10.2513661335\nN 19.5585587690 10.0444168126 11.3737776912\nN 20.6394499407 9.2714113118 10.5935481429\nC 18.5125716046 10.3420919032 9.4664363210\nN 17.3408679455 10.7876442809 8.8324198158\nN 17.6474909723 11.3789627941 7.1194408573\nO 17.5940967020 12.5859717856 7.0426565742\nO 17.7755885897 10.4977311902 6.3076790943\nN 16.5520361307 11.5342888542 9.5837047797\nN 16.9783868804 13.4253665309 9.9233423633\nO 16.3251570857 14.1711451381 9.2455546879\nO 17.8025317601 13.5709263229 10.7838136433\nN 15.2218212938 11.3204421686 9.4634581241\nN 14.5213538246 12.1726046601 10.0978481391\nN 15.1772636365 11.6365901069 12.9271464405\nO 16.0058658849 12.2893837831 13.5235961143\nO 14.3489572716 10.8224720923 13.2779574911\nN 13.1900934965 11.8510790680 10.4104743190\nN 12.5642288034 13.3761508612 9.0224602995\nO 12.6754363915 13.0446200740 7.8677359818\nO 12.2405762861 14.3828020410 9.5937844150\nN 12.7652884440 10.6147888178 10.3018384087\nN 10.6086235562 10.7107572712 11.4234962465\nO 9.6157115311 11.0400539224 10.7898816222\nO 10.7210988727 10.2753782257 12.5448178827\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 564.0 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 32.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 577.5 secs\n\n total energy = -1655.76150850 Ry\n estimated scf accuracy < 0.02349682 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.77E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.827E-02 0.000E+00\n\n total cpu time spent up to now is 581.6 secs\n\n total energy = -1655.75955032 Ry\n estimated scf accuracy < 0.62374202 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.77E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 585.7 secs\n\n total energy = -1655.76369499 Ry\n estimated scf accuracy < 0.00283769 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.06E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 589.9 secs\n\n total energy = -1655.76385082 Ry\n estimated scf accuracy < 0.00938689 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.06E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 594.2 secs\n\n total energy = -1655.76389921 Ry\n estimated scf accuracy < 0.00202252 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.55E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 598.4 secs\n\n total energy = -1655.76398218 Ry\n estimated scf accuracy < 0.00287661 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.55E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 602.6 secs\n\n total energy = -1655.76402027 Ry\n estimated scf accuracy < 0.00018156 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.77E-08, avg # of iterations = 14.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 608.1 secs\n\n total energy = -1655.76426166 Ry\n estimated scf accuracy < 0.00144580 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.77E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.835E-02 0.000E+00\n\n total cpu time spent up to now is 612.5 secs\n\n total energy = -1655.76427061 Ry\n estimated scf accuracy < 0.00149904 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.77E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 616.7 secs\n\n total energy = -1655.76426509 Ry\n estimated scf accuracy < 0.00118176 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.77E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 621.0 secs\n\n total energy = -1655.76427209 Ry\n estimated scf accuracy < 0.00023321 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.77E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 625.3 secs\n\n total energy = -1655.76427069 Ry\n estimated scf accuracy < 0.00008748 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.26E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.838E-02 0.000E+00\n\n total cpu time spent up to now is 629.5 secs\n\n total energy = -1655.76427127 Ry\n estimated scf accuracy < 0.00007603 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.84E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.838E-02 0.000E+00\n\n total cpu time spent up to now is 633.8 secs\n\n total energy = -1655.76427491 Ry\n estimated scf accuracy < 0.00007488 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.79E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 638.1 secs\n\n total energy = -1655.76427693 Ry\n estimated scf accuracy < 0.00009501 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.79E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.840E-02 0.000E+00\n\n total cpu time spent up to now is 642.3 secs\n\n total energy = -1655.76429396 Ry\n estimated scf accuracy < 0.00009259 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.79E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.850E-02 0.000E+00\n\n total cpu time spent up to now is 646.7 secs\n\n total energy = -1655.76424899 Ry\n estimated scf accuracy < 0.00019125 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.79E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.848E-02 0.000E+00\n\n total cpu time spent up to now is 651.1 secs\n\n total energy = -1655.76426552 Ry\n estimated scf accuracy < 0.00000754 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.81E-09, avg # of iterations = 14.0\n\n negative rho (up, down): 2.844E-02 0.000E+00\n\n total cpu time spent up to now is 657.0 secs\n\n total energy = -1655.76427805 Ry\n estimated scf accuracy < 0.00000951 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.81E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 661.4 secs\n\n total energy = -1655.76427815 Ry\n estimated scf accuracy < 0.00000412 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.54E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 665.7 secs\n\n total energy = -1655.76427847 Ry\n estimated scf accuracy < 0.00000167 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.24E-10, avg # of iterations = 13.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 670.9 secs\n\n total energy = -1655.76427986 Ry\n estimated scf accuracy < 0.00000093 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.48E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 675.3 secs\n\n total energy = -1655.76427998 Ry\n estimated scf accuracy < 0.00000037 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.826E-02 0.000E+00\n\n total cpu time spent up to now is 680.3 secs\n\n total energy = -1655.76428019 Ry\n estimated scf accuracy < 0.00000033 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.22E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 684.6 secs\n\n total energy = -1655.76428025 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.71E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 689.5 secs\n\n total energy = -1655.76428034 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.80E-11, avg # of iterations = 6.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 694.4 secs\n\n total energy = -1655.76428041 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.80E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 698.7 secs\n\n total energy = -1655.76428042 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.18E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 703.0 secs\n\n total energy = -1655.76428044 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 707.3 secs\n\n total energy = -1655.76428045 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.59E-12, avg # of iterations = 15.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 712.6 secs\n\n total energy = -1655.76428045 Ry\n estimated scf accuracy < 5.9E-09 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.20E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 717.4 secs\n\n total energy = -1655.76428046 Ry\n estimated scf accuracy < 5.0E-09 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.88E-12, avg # of iterations = 4.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 721.8 secs\n\n total energy = -1655.76428047 Ry\n estimated scf accuracy < 2.8E-09 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 726.4 secs\n\n total energy = -1655.76428049 Ry\n estimated scf accuracy < 2.8E-09 Ry\n\n iteration # 35 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 730.7 secs\n\n total energy = -1655.76428051 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 36 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.31E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 735.7 secs\n\n total energy = -1655.76428051 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 37 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.31E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 740.1 secs\n\n total energy = -1655.76428051 Ry\n estimated scf accuracy < 1.3E-09 Ry\n\n iteration # 38 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.31E-13, avg # of iterations = 1.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 743.6 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8418 -32.8086 -32.7651 -32.7232 -32.6550 -32.5866 -32.1459 -32.1327\n -32.0528 -31.9971 -30.6320 -29.5944 -29.1902 -28.9932 -28.9681 -28.9096\n -28.8603 -28.8488 -28.8428 -28.5721 -28.4009 -28.3850 -28.1754 -28.1250\n -27.4199 -26.8037 -25.5368 -24.7652 -24.3286 -23.9781 -22.8047 -21.9283\n -20.6836 -19.2347 -18.6761 -18.2019 -17.7772 -17.4866 -17.4026 -17.2719\n -17.1006 -16.9505 -16.6089 -16.5564 -16.5432 -16.5336 -16.4471 -16.3878\n -15.6956 -15.6647 -15.5064 -15.3225 -15.1450 -15.0383 -15.0282 -14.8517\n -14.7242 -14.6559 -14.6255 -14.6001 -14.4792 -14.4561 -14.4380 -14.4105\n -14.2929 -14.2629 -14.2611 -14.2527 -14.2068 -14.2036 -14.0787 -13.9703\n -13.9682 -13.9491 -13.9437 -13.8700 -13.8300 -13.8049 -13.7634 -13.7019\n -13.6545 -13.6242 -13.1716 -13.0543 -12.6976 -12.4467 -12.1000 -12.0484\n -11.7954 -11.4633 -11.4199 -11.2917 -10.9412 -10.7645 -10.4590 -9.9926\n -9.9246 -9.7780 -9.7681 -9.6888 -9.6578 -9.6343 -9.6074 -9.5315\n -9.5030 -9.3842 -9.3672 -9.3272 -9.3250 -9.1753 -9.1495 -9.1277\n -9.0575 -8.9994 -8.9809 -8.8957 -8.8297 -8.8185 -8.6415 -8.6023\n -8.5288 -8.2520 -8.1148 -8.0082 -7.7111 -7.5627 -7.2987 -7.2030\n -7.0012 -6.8346 -6.4078 -6.3571 -6.2852 -6.0887 -6.0769 -5.8572\n -5.5736 -4.9113 -4.7779 -4.6495 -4.5028 -4.2328 -4.1378 -4.0661\n -4.0159 -3.9149 -3.8631 -3.6968 -3.6790 -3.6615 -3.6113 -3.5411\n -3.4223 -3.2597 -3.0758 -2.7898 -2.4047 -2.3212 -0.7726 -0.4065\n -0.1550\n\n the Fermi energy is -6.0828 ev\n\n! total energy = -1655.76428055 Ry\n total all-electron energy = -6224.596628 Ry\n estimated scf accuracy < 3.5E-10 Ry\n smearing contrib. (-TS) = -0.00560048 Ry\n internal energy E=F+TS = -1655.75868006 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18278.37089624 Ry\n hartree contribution = 9172.22296138 Ry\n xc contribution = -312.69797293 Ry\n ewald contribution = 8191.05843381 Ry\n DFT-D3 Dispersion = -0.16180778 Ry\n one-center paw contrib. = -427.80939831 Ry\n\n convergence has been achieved in 38 iterations\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00345167 -0.00116268 0.00155700\n atom 2 type 1 force = -0.00060639 0.00036741 0.00091703\n atom 3 type 2 force = 0.00271338 0.00033516 -0.00064608\n atom 4 type 2 force = 0.00096319 -0.00152817 0.00105758\n atom 5 type 1 force = 0.00286718 0.00044490 0.00154987\n atom 6 type 1 force = -0.00039009 0.00227502 0.00082167\n atom 7 type 2 force = 0.00048032 -0.00235127 -0.00428985\n atom 8 type 2 force = 0.00298582 -0.00091660 0.00351927\n atom 9 type 1 force = 0.00124492 -0.00089551 -0.00222643\n atom 10 type 1 force = 0.00124062 0.00047772 -0.00017440\n atom 11 type 2 force = -0.00002617 0.00003385 0.00092242\n atom 12 type 2 force = -0.00059045 -0.00053727 0.00086284\n atom 13 type 1 force = -0.00086866 -0.00171307 0.00186700\n atom 14 type 1 force = 0.00021191 0.00363390 -0.00197078\n atom 15 type 1 force = 0.00154414 0.00290184 -0.00218057\n atom 16 type 2 force = 0.00066533 -0.00138776 -0.00123298\n atom 17 type 2 force = -0.00104413 -0.00025689 0.00033254\n atom 18 type 1 force = 0.00204924 0.00061499 -0.00277201\n atom 19 type 1 force = -0.00206633 -0.00125521 0.00404179\n atom 20 type 2 force = 0.00090146 0.00437331 -0.00119394\n atom 21 type 2 force = 0.00175892 0.00037451 -0.00055250\n atom 22 type 3 force = 0.00014951 -0.00044115 -0.00227946\n atom 23 type 1 force = -0.00082802 0.00215062 -0.00052384\n atom 24 type 1 force = -0.00162391 -0.00325425 0.00033561\n atom 25 type 1 force = -0.00197789 0.00075003 0.00049576\n atom 26 type 1 force = -0.00139918 -0.00010121 -0.00068921\n atom 27 type 1 force = -0.00342333 0.00278833 0.00003039\n atom 28 type 1 force = -0.00297406 -0.00002620 0.00046870\n atom 29 type 3 force = 0.00163189 0.00088305 -0.00085657\n atom 30 type 1 force = 0.00218997 -0.00065385 0.00043690\n atom 31 type 1 force = -0.00139749 0.00102279 -0.00189517\n atom 32 type 2 force = -0.00112080 -0.00390302 -0.00231149\n atom 33 type 2 force = -0.00122020 0.00425204 0.00485210\n atom 34 type 1 force = -0.00007915 -0.00216984 0.00185412\n atom 35 type 1 force = -0.00140254 0.00267412 0.00310583\n atom 36 type 2 force = 0.00024642 0.00077492 -0.00155591\n atom 37 type 2 force = -0.00218544 -0.00284329 -0.00188553\n atom 38 type 1 force = -0.00105396 0.00008993 0.00094661\n atom 39 type 1 force = 0.00050545 -0.00073009 -0.00159361\n atom 40 type 1 force = -0.00198247 -0.00302053 0.00290849\n atom 41 type 2 force = 0.00112949 0.00129528 -0.00199662\n atom 42 type 2 force = 0.00149521 0.00134531 -0.00248301\n atom 43 type 1 force = 0.00049934 -0.00067942 0.00155927\n atom 44 type 1 force = 0.00095407 -0.00252038 0.00192844\n atom 45 type 2 force = -0.00117165 0.00161114 0.00104784\n atom 46 type 2 force = 0.00084796 -0.00269321 -0.00171644\n atom 47 type 1 force = 0.00044885 0.00197061 0.00028375\n atom 48 type 1 force = -0.00062111 -0.00314097 -0.00182874\n atom 49 type 2 force = -0.00183964 -0.00003424 0.00097459\n atom 50 type 2 force = -0.00128318 0.00077533 0.00017772\n\n Total force = 0.022231 Total SCF correction = 0.000047\n Energy error = 6.2E-04 Ry\n Gradient error = 4.9E-03 Ry/Bohr\n\n number of scf cycles = 55\n number of bfgs steps = 54\n\n energy old = -1655.7636627725 Ry\n energy new = -1655.7642805451 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0668761360 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7847518727 9.8029619105 9.2761613454\nN 10.6008918759 9.9628021185 8.1001411172\nO 9.6156423538 9.3518436529 8.4871982581\nO 10.7108241221 10.8748178204 7.3115778517\nN 13.1103647455 8.5332564906 9.2110618110\nN 12.2591191760 7.1077733671 10.4714078363\nO 12.2193677777 7.4495585250 11.6280938160\nO 11.9686370193 6.1159880731 9.8642466078\nN 14.3586158722 8.0761427489 9.6757338523\nN 15.1320538000 8.4471905278 6.7736552735\nO 14.6948201547 9.5249654526 6.4242691197\nO 15.9070681021 7.6635710694 6.2693695606\nN 15.1061189897 8.8562909808 10.3416372614\nN 16.3979657229 8.4289645108 10.3390641317\nN 16.5200574858 6.5297936222 10.0673196997\nO 17.2804039890 6.2401399605 9.1861551183\nO 15.8429118356 5.9080974459 10.8456382833\nN 17.2449001495 8.9974927635 11.1850468754\nN 17.3905827318 8.2001333019 12.8418620257\nO 17.7789945406 7.0544636949 12.7984451088\nO 17.0044801897 8.9026314958 13.7386341311\nC 18.4848928151 9.3172910493 10.5991880884\nN 19.5603939856 8.4627916907 9.8314088304\nN 19.5651749608 9.5743790387 8.7049455421\nN 20.6474129542 10.3348583658 9.4926225690\nN 19.5794403502 11.1684534366 10.2406041346\nN 19.5591327836 10.0617347175 11.3662044686\nN 20.6370254374 9.2813933946 10.5886041718\nC 18.5077702200 10.3486994116 9.4625945151\nN 17.3329208615 10.7885597388 8.8291406595\nN 17.6342441793 11.3805434017 7.1182351679\nO 17.5589978261 12.5868726403 7.0382224066\nO 17.7909308174 10.5019013945 6.3091741135\nN 16.5433209140 11.5406898349 9.5729120042\nN 16.9735443596 13.4282169770 9.9288500245\nO 16.3221687506 14.1761576142 9.2555478929\nO 17.7974887604 13.5621758317 10.7893123172\nN 15.2137990655 11.3197982504 9.4570658867\nN 14.5126828569 12.1724841794 10.0868841316\nN 15.1853025339 11.6373672284 12.9338898341\nO 16.0160431759 12.2921909090 13.5258935097\nO 14.3512020344 10.8338612052 13.2940008674\nN 13.1840916012 11.8467072866 10.4088701491\nN 12.5477964796 13.3636319126 9.0251630597\nO 12.6565639858 13.0314064319 7.8707917701\nO 12.2171883807 14.3688772505 9.5924215542\nN 12.7597145157 10.6105342533 10.3034787423\nN 10.6049433187 10.6955384623 11.4221580169\nO 9.6108572628 11.0191779724 10.7878669461\nO 10.7190753502 10.2705048458 12.5480312736\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.781E-02 0.000E+00\n\n total cpu time spent up to now is 753.7 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 34.0\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 767.5 secs\n\n total energy = -1655.76405934 Ry\n estimated scf accuracy < 0.00659249 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.46E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 771.6 secs\n\n total energy = -1655.76297860 Ry\n estimated scf accuracy < 0.22009465 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.46E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 775.7 secs\n\n total energy = -1655.76438845 Ry\n estimated scf accuracy < 0.00204570 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.63E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 779.9 secs\n\n total energy = -1655.76450967 Ry\n estimated scf accuracy < 0.00041957 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.57E-07, avg # of iterations = 11.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 784.9 secs\n\n total energy = -1655.76474365 Ry\n estimated scf accuracy < 0.00019004 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.09E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 789.7 secs\n\n total energy = -1655.76483450 Ry\n estimated scf accuracy < 0.00010217 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.81E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 794.3 secs\n\n total energy = -1655.76485289 Ry\n estimated scf accuracy < 0.00001761 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.57E-09, avg # of iterations = 14.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 800.3 secs\n\n total energy = -1655.76487695 Ry\n estimated scf accuracy < 0.00001720 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.42E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 804.6 secs\n\n total energy = -1655.76487782 Ry\n estimated scf accuracy < 0.00001546 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.77E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 808.9 secs\n\n total energy = -1655.76487816 Ry\n estimated scf accuracy < 0.00000352 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.31E-09, avg # of iterations = 14.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 814.1 secs\n\n total energy = -1655.76488101 Ry\n estimated scf accuracy < 0.00000291 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-09, avg # of iterations = 4.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 818.6 secs\n\n total energy = -1655.76488127 Ry\n estimated scf accuracy < 0.00000186 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.95E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 823.0 secs\n\n total energy = -1655.76488141 Ry\n estimated scf accuracy < 0.00000029 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-10, avg # of iterations = 16.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 829.2 secs\n\n total energy = -1655.76488196 Ry\n estimated scf accuracy < 0.00000046 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 833.5 secs\n\n total energy = -1655.76488197 Ry\n estimated scf accuracy < 0.00000022 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.15E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 837.9 secs\n\n total energy = -1655.76488200 Ry\n estimated scf accuracy < 0.00000009 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.36E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 842.7 secs\n\n total energy = -1655.76488205 Ry\n estimated scf accuracy < 0.00000007 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.73E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 847.1 secs\n\n total energy = -1655.76488206 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.73E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 851.4 secs\n\n total energy = -1655.76488206 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.20E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 855.9 secs\n\n total energy = -1655.76488207 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.44E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 860.3 secs\n\n total energy = -1655.76488207 Ry\n estimated scf accuracy < 9.9E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.70E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 865.7 secs\n\n total energy = -1655.76488208 Ry\n estimated scf accuracy < 3.8E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.42E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 870.8 secs\n\n total energy = -1655.76488209 Ry\n estimated scf accuracy < 1.5E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.49E-13, avg # of iterations = 12.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 875.7 secs\n\n total energy = -1655.76488209 Ry\n estimated scf accuracy < 5.5E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.03E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 880.8 secs\n\n total energy = -1655.76488209 Ry\n estimated scf accuracy < 8.8E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.03E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 884.6 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8744 -32.8384 -32.7877 -32.7110 -32.6915 -32.5955 -32.1354 -32.1268\n -32.0428 -31.9847 -30.6405 -29.5973 -29.1983 -29.0428 -28.9824 -28.9335\n -28.8936 -28.8405 -28.8274 -28.5709 -28.3830 -28.3777 -28.1667 -28.1154\n -27.4226 -26.8056 -25.5457 -24.7772 -24.3325 -23.9782 -22.8081 -21.9345\n -20.6903 -19.2336 -18.6735 -18.2039 -17.7995 -17.4998 -17.3871 -17.2878\n -17.0945 -16.9463 -16.6012 -16.5522 -16.5354 -16.5257 -16.4419 -16.3869\n -15.7031 -15.6661 -15.5123 -15.3407 -15.1569 -15.0509 -15.0331 -14.8553\n -14.7439 -14.6778 -14.6374 -14.6018 -14.4991 -14.4623 -14.4438 -14.4124\n -14.3045 -14.2934 -14.2685 -14.2575 -14.1971 -14.1929 -14.0795 -13.9645\n -13.9555 -13.9416 -13.9350 -13.8647 -13.8249 -13.7978 -13.7538 -13.6897\n -13.6451 -13.6158 -13.1760 -13.0545 -12.6989 -12.4434 -12.1056 -12.0606\n -11.7958 -11.4612 -11.4202 -11.3040 -10.9421 -10.7763 -10.4551 -10.0021\n -9.9266 -9.7859 -9.7711 -9.6941 -9.6563 -9.6374 -9.5979 -9.5468\n -9.5079 -9.3799 -9.3568 -9.3295 -9.3214 -9.1835 -9.1587 -9.1288\n -9.0489 -8.9989 -8.9784 -8.8993 -8.8251 -8.8091 -8.6415 -8.5946\n -8.5215 -8.2512 -8.1224 -8.0141 -7.7151 -7.5672 -7.3076 -7.2012\n -7.0046 -6.8375 -6.4058 -6.3495 -6.2816 -6.0861 -6.0756 -5.8449\n -5.5681 -4.8976 -4.7754 -4.6756 -4.4813 -4.2371 -4.1322 -4.0731\n -4.0216 -3.9030 -3.8456 -3.6959 -3.6750 -3.6499 -3.6024 -3.5362\n -3.4110 -3.2502 -3.0758 -2.7918 -2.3953 -2.3225 -0.7507 -0.4066\n -0.1552\n\n the Fermi energy is -6.0808 ev\n\n! total energy = -1655.76488211 Ry\n total all-electron energy = -6224.597230 Ry\n estimated scf accuracy < 1.5E-10 Ry\n smearing contrib. (-TS) = -0.00560886 Ry\n internal energy E=F+TS = -1655.75927325 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18278.86087701 Ry\n hartree contribution = 9172.45438930 Ry\n xc contribution = -312.71589085 Ry\n ewald contribution = 8191.33406959 Ry\n DFT-D3 Dispersion = -0.16181197 Ry\n one-center paw contrib. = -427.80915231 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00290269 0.00011023 0.00048673\n atom 2 type 1 force = -0.00129270 0.00036795 0.00002268\n atom 3 type 2 force = -0.00085219 0.00043810 -0.00110868\n atom 4 type 2 force = -0.00035650 -0.00234552 0.00182571\n atom 5 type 1 force = 0.00241876 0.00074500 0.00155154\n atom 6 type 1 force = 0.00039940 0.00293825 -0.00145931\n atom 7 type 2 force = 0.00035935 -0.00027506 0.00108675\n atom 8 type 2 force = 0.00244823 -0.00352191 0.00069201\n atom 9 type 1 force = 0.00110149 -0.00040521 -0.00112842\n atom 10 type 1 force = 0.00144568 0.00019744 -0.00015323\n atom 11 type 2 force = -0.00011116 0.00029777 0.00094544\n atom 12 type 2 force = -0.00069292 -0.00047065 0.00100140\n atom 13 type 1 force = -0.00066421 -0.00209120 0.00034334\n atom 14 type 1 force = -0.00064285 0.00316609 -0.00109699\n atom 15 type 1 force = 0.00050139 0.00144775 0.00046710\n atom 16 type 2 force = -0.00118568 -0.00127300 0.00032731\n atom 17 type 2 force = 0.00171263 0.00156508 -0.00339734\n atom 18 type 1 force = 0.00250511 0.00009853 -0.00550336\n atom 19 type 1 force = -0.00181714 -0.00194364 0.00216576\n atom 20 type 2 force = 0.00174840 0.00211353 -0.00107087\n atom 21 type 2 force = 0.00063925 0.00265621 0.00181612\n atom 22 type 3 force = 0.00010465 0.00027707 -0.00261005\n atom 23 type 1 force = -0.00167255 0.00207623 0.00126802\n atom 24 type 1 force = -0.00086384 -0.00369829 0.00067079\n atom 25 type 1 force = -0.00145866 0.00077109 -0.00043950\n atom 26 type 1 force = -0.00170355 0.00077856 -0.00085628\n atom 27 type 1 force = -0.00347044 0.00070236 0.00134728\n atom 28 type 1 force = -0.00104502 0.00141533 0.00062502\n atom 29 type 3 force = 0.00194478 0.00111794 -0.00165080\n atom 30 type 1 force = 0.00311160 0.00069719 -0.00105444\n atom 31 type 1 force = 0.00061612 0.00266276 -0.00151148\n atom 32 type 2 force = -0.00168530 -0.00502380 -0.00192792\n atom 33 type 2 force = -0.00202063 0.00317409 0.00390118\n atom 34 type 1 force = 0.00049112 -0.00372245 0.00311161\n atom 35 type 1 force = -0.00196810 -0.00229816 0.00199853\n atom 36 type 2 force = -0.00187131 0.00462771 -0.00360324\n atom 37 type 2 force = -0.00010338 -0.00187445 0.00061182\n atom 38 type 1 force = 0.00038288 -0.00073967 0.00097231\n atom 39 type 1 force = -0.00094303 0.00050833 0.00042780\n atom 40 type 1 force = -0.00109936 -0.00212373 0.00308603\n atom 41 type 2 force = 0.00140643 0.00155180 -0.00227035\n atom 42 type 2 force = 0.00029738 0.00015771 -0.00248189\n atom 43 type 1 force = -0.00010442 -0.00094376 0.00091510\n atom 44 type 1 force = 0.00094204 -0.00377241 0.00033389\n atom 45 type 2 force = -0.00049527 0.00042032 -0.00057507\n atom 46 type 2 force = 0.00020287 0.00050330 0.00114936\n atom 47 type 1 force = 0.00091052 0.00059867 0.00092507\n atom 48 type 1 force = 0.00030535 -0.00281896 0.00040023\n atom 49 type 2 force = 0.00067571 0.00009059 0.00097899\n atom 50 type 2 force = -0.00145362 0.00106891 -0.00155570\n\n Total force = 0.021701 Total SCF correction = 0.000025\n Energy error = 6.0E-04 Ry\n Gradient error = 5.5E-03 Ry/Bohr\n\n number of scf cycles = 56\n number of bfgs steps = 55\n\n energy old = -1655.7642805451 Ry\n energy new = -1655.7648821057 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0511660391 bohr\n new conv_thr = 0.0000000006 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7883303557 9.7937507703 9.2847853721\nN 10.6003642566 9.9591477820 8.1094592550\nO 9.6157927379 9.3456796783 8.4930925668\nO 10.7108721250 10.8747150968 7.3254171949\nN 13.1187679228 8.5267191466 9.2176139177\nN 12.2636432240 7.1039758968 10.4731692905\nO 12.2253652359 7.4479447274 11.6298569384\nO 11.9679573324 6.1079242291 9.8727568580\nN 14.3699886270 8.0735532247 9.6726869782\nN 15.1380683578 8.4418601047 6.7689059595\nO 14.6946151028 9.5164037901 6.4168334890\nO 15.9119377503 7.6578629119 6.2635857149\nN 15.1092605717 8.8539017797 10.3496981602\nN 16.4042644299 8.4427654392 10.3385614622\nN 16.5341190032 6.5350002089 10.0593256075\nO 17.2926714503 6.2482913791 9.1775714385\nO 15.8606757251 5.9131549179 10.8380774719\nN 17.2467932275 9.0115573265 11.1893248409\nN 17.3969794020 8.2083164725 12.8406659460\nO 17.7888125941 7.0642462714 12.7863656309\nO 17.0187919837 8.9074366613 13.7444613418\nC 18.4848924118 9.3268275879 10.5992463201\nN 19.5580183681 8.4697224773 9.8311645466\nN 19.5613055583 9.5754737748 8.7021164839\nN 20.6449837934 10.3399888369 9.4862384389\nN 19.5776970994 11.1757116375 10.2320433587\nN 19.5581940091 10.0750363489 11.3614765243\nN 20.6348170631 9.2886309355 10.5854620671\nC 18.5055362104 10.3537263399 9.4589866216\nN 17.3285057558 10.7895343877 8.8262514581\nN 17.6231196936 11.3827580596 7.1166858660\nO 17.5323572609 12.5855874063 7.0335605487\nO 17.8010916573 10.5065853217 6.3121812751\nN 16.5380489229 11.5427554971 9.5668590625\nN 16.9671083842 13.4276551966 9.9340942285\nO 16.3180501429 14.1802405425 9.2607003813\nO 17.7930073988 13.5533948406 10.7947787638\nN 15.2085733614 11.3172261400 9.4529882403\nN 14.5060257018 12.1721605170 10.0790802915\nN 15.1909997543 11.6368458004 12.9393363467\nO 16.0234779378 12.2950643390 13.5249852151\nO 14.3521328424 10.8421472776 13.3037306881\nN 13.1796571976 11.8437593532 10.4083510334\nN 12.5367741349 13.3509705473 9.0286376581\nO 12.6422868302 13.0212176849 7.8725793743\nO 12.2000475652 14.3563207447 9.5930167688\nN 12.7547658417 10.6087057876 10.3060123465\nN 10.6006392219 10.6827190020 11.4211180556\nO 9.6066420876 11.0036220506 10.7875740167\nO 10.7158654212 10.2670820086 12.5493303174\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 894.7 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 32.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 907.9 secs\n\n total energy = -1655.76428048 Ry\n estimated scf accuracy < 0.00795761 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.97E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 912.0 secs\n\n total energy = -1655.76273183 Ry\n estimated scf accuracy < 0.31019242 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.97E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 916.2 secs\n\n total energy = -1655.76493540 Ry\n estimated scf accuracy < 0.00181768 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.78E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 920.5 secs\n\n total energy = -1655.76499914 Ry\n estimated scf accuracy < 0.00083217 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.11E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 924.9 secs\n\n total energy = -1655.76511222 Ry\n estimated scf accuracy < 0.00027758 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-07, avg # of iterations = 12.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 930.1 secs\n\n total energy = -1655.76533628 Ry\n estimated scf accuracy < 0.00009904 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.70E-08, avg # of iterations = 13.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 935.3 secs\n\n total energy = -1655.76540932 Ry\n estimated scf accuracy < 0.00005226 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.95E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 939.8 secs\n\n total energy = -1655.76540316 Ry\n estimated scf accuracy < 0.00005070 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.89E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 944.1 secs\n\n total energy = -1655.76540649 Ry\n estimated scf accuracy < 0.00001068 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.98E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 949.7 secs\n\n total energy = -1655.76541897 Ry\n estimated scf accuracy < 0.00001307 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.98E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 954.0 secs\n\n total energy = -1655.76541776 Ry\n estimated scf accuracy < 0.00000841 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.14E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 958.6 secs\n\n total energy = -1655.76541909 Ry\n estimated scf accuracy < 0.00000856 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.14E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 962.9 secs\n\n total energy = -1655.76541929 Ry\n estimated scf accuracy < 0.00000104 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.90E-10, avg # of iterations = 13.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 968.5 secs\n\n total energy = -1655.76542047 Ry\n estimated scf accuracy < 0.00000110 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.90E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 972.8 secs\n\n total energy = -1655.76542056 Ry\n estimated scf accuracy < 0.00000047 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.74E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 977.7 secs\n\n total energy = -1655.76542076 Ry\n estimated scf accuracy < 0.00000032 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.19E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 982.5 secs\n\n total energy = -1655.76542085 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.82E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 987.6 secs\n\n total energy = -1655.76542093 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.70E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 992.0 secs\n\n total energy = -1655.76542095 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.05E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 996.5 secs\n\n total energy = -1655.76542097 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.97E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 1000.8 secs\n\n total energy = -1655.76542098 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.48E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 1005.9 secs\n\n total energy = -1655.76542100 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.16E-12, avg # of iterations = 4.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 1010.3 secs\n\n total energy = -1655.76542101 Ry\n estimated scf accuracy < 3.2E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.18E-12, avg # of iterations = 13.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 1015.7 secs\n\n total energy = -1655.76542102 Ry\n estimated scf accuracy < 2.8E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 1020.1 secs\n\n total energy = -1655.76542102 Ry\n estimated scf accuracy < 1.0E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.83E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 1024.7 secs\n\n total energy = -1655.76542103 Ry\n estimated scf accuracy < 4.1E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.83E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 1028.3 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8605 -32.8544 -32.8040 -32.7618 -32.6553 -32.5632 -32.1565 -32.1223\n -32.0727 -31.9879 -30.6512 -29.6030 -29.2037 -29.0379 -29.0139 -28.9060\n -28.8873 -28.8671 -28.7919 -28.5790 -28.4092 -28.3743 -28.1863 -28.1212\n -27.4358 -26.8102 -25.5582 -24.7929 -24.3411 -23.9857 -22.8168 -21.9451\n -20.6986 -19.2373 -18.6785 -18.2110 -17.8158 -17.5106 -17.3639 -17.2976\n -17.0880 -16.9399 -16.5932 -16.5510 -16.5374 -16.5250 -16.4383 -16.3877\n -15.7144 -15.6737 -15.5137 -15.3483 -15.1709 -15.0587 -15.0439 -14.8572\n -14.7400 -14.6820 -14.6374 -14.6093 -14.4822 -14.4720 -14.4463 -14.3854\n -14.3160 -14.2983 -14.2791 -14.2352 -14.2027 -14.1656 -14.0867 -13.9683\n -13.9617 -13.9544 -13.9370 -13.8780 -13.8312 -13.7999 -13.7496 -13.6947\n -13.6492 -13.6170 -13.1791 -13.0571 -12.7016 -12.4466 -12.1142 -12.0624\n -11.7989 -11.4606 -11.4193 -11.3211 -10.9455 -10.7888 -10.4588 -10.0147\n -9.9254 -9.7967 -9.7737 -9.6962 -9.6563 -9.6199 -9.5778 -9.5473\n -9.5163 -9.3800 -9.3689 -9.3375 -9.3227 -9.1943 -9.1674 -9.1041\n -9.0346 -9.0059 -8.9688 -8.9039 -8.8306 -8.8164 -8.6464 -8.5963\n -8.5190 -8.2513 -8.1262 -8.0207 -7.7170 -7.5734 -7.3120 -7.2007\n -7.0074 -6.8401 -6.4081 -6.3442 -6.2822 -6.0821 -6.0720 -5.8366\n -5.5679 -4.8924 -4.7802 -4.6961 -4.4701 -4.2539 -4.1208 -4.0579\n -4.0374 -3.8972 -3.8303 -3.6922 -3.6728 -3.6511 -3.5971 -3.5292\n -3.4043 -3.2427 -3.0750 -2.8003 -2.3833 -2.3233 -0.7311 -0.4063\n -0.1538\n\n the Fermi energy is -6.0770 ev\n\n! total energy = -1655.76542106 Ry\n total all-electron energy = -6224.597769 Ry\n estimated scf accuracy < 4.2E-10 Ry\n smearing contrib. (-TS) = -0.00561168 Ry\n internal energy E=F+TS = -1655.75980938 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18281.56535663 Ry\n hartree contribution = 9173.78900318 Ry\n xc contribution = -312.73401898 Ry\n ewald contribution = 8192.72149793 Ry\n DFT-D3 Dispersion = -0.16192001 Ry\n one-center paw contrib. = -427.80901486 Ry\n\n convergence has been achieved in 27 iterations\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00196640 0.00121065 -0.00117767\n atom 2 type 1 force = -0.00085737 -0.00031118 -0.00007040\n atom 3 type 2 force = -0.00373962 0.00009577 -0.00106992\n atom 4 type 2 force = -0.00159807 -0.00187306 0.00147510\n atom 5 type 1 force = 0.00136586 0.00102630 0.00058011\n atom 6 type 1 force = -0.00047067 -0.00051689 -0.00069031\n atom 7 type 2 force = 0.00051675 0.00027212 0.00044533\n atom 8 type 2 force = 0.00345775 -0.00049099 0.00099371\n atom 9 type 1 force = 0.00132244 -0.00019952 0.00059233\n atom 10 type 1 force = 0.00115575 0.00035012 0.00029766\n atom 11 type 2 force = 0.00012314 0.00008750 0.00085884\n atom 12 type 2 force = -0.00061703 -0.00038604 0.00080430\n atom 13 type 1 force = -0.00041114 -0.00118880 -0.00081249\n atom 14 type 1 force = -0.00183641 0.00045196 -0.00096351\n atom 15 type 1 force = 0.00081070 0.00474888 0.00074238\n atom 16 type 2 force = 0.00124514 -0.00178911 -0.00271091\n atom 17 type 2 force = -0.00102040 -0.00107107 -0.00039831\n atom 18 type 1 force = 0.00128932 0.00036767 -0.00604131\n atom 19 type 1 force = -0.00120238 -0.00098068 0.00283719\n atom 20 type 2 force = 0.00104816 0.00234892 0.00030978\n atom 21 type 2 force = 0.00116321 0.00058299 -0.00011661\n atom 22 type 3 force = 0.00024607 0.00131342 -0.00225498\n atom 23 type 1 force = -0.00190767 0.00128688 0.00268615\n atom 24 type 1 force = 0.00022693 -0.00238427 0.00062122\n atom 25 type 1 force = -0.00088372 0.00035289 -0.00079812\n atom 26 type 1 force = -0.00141831 0.00126156 -0.00140316\n atom 27 type 1 force = -0.00244169 -0.00063036 0.00149915\n atom 28 type 1 force = -0.00014904 0.00270520 0.00098503\n atom 29 type 3 force = 0.00126309 0.00063711 -0.00222238\n atom 30 type 1 force = 0.00357961 0.00188798 -0.00229730\n atom 31 type 1 force = 0.00214568 0.00080714 0.00162805\n atom 32 type 2 force = -0.00278464 0.00106737 -0.00150809\n atom 33 type 2 force = -0.00186628 -0.00166059 -0.00002785\n atom 34 type 1 force = -0.00107993 -0.00430118 0.00405793\n atom 35 type 1 force = -0.00301340 -0.00052090 -0.00055401\n atom 36 type 2 force = 0.00158156 0.00195396 0.00037586\n atom 37 type 2 force = -0.00244552 -0.00096648 -0.00116903\n atom 38 type 1 force = 0.00022881 0.00065273 0.00248437\n atom 39 type 1 force = 0.00040595 -0.00061576 0.00056746\n atom 40 type 1 force = 0.00049896 -0.00027877 0.00098271\n atom 41 type 2 force = 0.00139126 0.00139161 -0.00159067\n atom 42 type 2 force = -0.00132080 -0.00154996 -0.00110316\n atom 43 type 1 force = -0.00013453 -0.00072910 0.00042090\n atom 44 type 1 force = -0.00027942 -0.00133110 -0.00217880\n atom 45 type 2 force = 0.00006250 -0.00050383 0.00047271\n atom 46 type 2 force = 0.00065294 0.00011903 0.00216443\n atom 47 type 1 force = 0.00099968 -0.00172354 0.00213094\n atom 48 type 1 force = 0.00242260 -0.00152340 0.00030178\n atom 49 type 2 force = 0.00040650 0.00085984 -0.00102029\n atom 50 type 2 force = -0.00009874 -0.00031297 0.00086390\n\n Total force = 0.019331 Total SCF correction = 0.000044\n Energy error = 5.4E-04 Ry\n Gradient error = 6.0E-03 Ry/Bohr\n\n number of scf cycles = 57\n number of bfgs steps = 56\n\n energy old = -1655.7648821057 Ry\n energy new = -1655.7654210592 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0659680823 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7917736921 9.7841657545 9.2895971772\nN 10.5983277411 9.9533578035 8.1205962242\nO 9.6137129174 9.3372447663 8.4992387881\nO 10.7087677145 10.8740327932 7.3434968056\nN 13.1266980142 8.5190612292 9.2246536944\nN 12.2663085044 7.0992305789 10.4765622363\nO 12.2332546594 7.4446845424 11.6322185611\nO 11.9686278298 6.1002679354 9.8826847249\nN 14.3783508823 8.0677114776 9.6761247398\nN 15.1463212430 8.4346891106 6.7603946203\nO 14.6948833683 9.5047000332 6.4062750171\nO 15.9193699686 7.6510000412 6.2550434275\nN 15.1107286748 8.8499796449 10.3596550848\nN 16.4077722370 8.4538096411 10.3396408642\nN 16.5508695664 6.5422730769 10.0530479377\nO 17.3088294682 6.2598610463 9.1676041871\nO 15.8818240777 5.9113627467 10.8313816326\nN 17.2499471767 9.0243966640 11.1885099758\nN 17.4052508200 8.2147479450 12.8400823293\nO 17.7998543297 7.0734024552 12.7742849445\nO 17.0364254518 8.9115221579 13.7482806298\nC 18.4850097491 9.3380623789 10.5960860042\nN 19.5559046362 8.4800431560 9.8316543575\nN 19.5581273634 9.5778675353 8.6985561509\nN 20.6417284591 10.3489943976 9.4791499399\nN 19.5739521552 11.1864662622 10.2218533385\nN 19.5547549415 10.0905962429 11.3568348236\nN 20.6325004010 9.3012325676 10.5826258203\nC 18.5038712010 10.3607639228 9.4527794591\nN 17.3258927910 10.7923918891 8.8208043750\nN 17.6128681791 11.3857993977 7.1150193301\nO 17.4981705678 12.5872938691 7.0267061544\nO 17.8141610116 10.5100154672 6.3151381483\nN 16.5315638974 11.5424787171 9.5629791431\nN 16.9592785265 13.4290648729 9.9402589426\nO 16.3146502628 14.1882729662 9.2695726575\nO 17.7884842190 13.5447457563 10.7988580732\nN 15.2035120732 11.3161237470 9.4484876929\nN 14.4993357977 12.1729853659 10.0698830081\nN 15.1990330384 11.6371152215 12.9486645004\nO 16.0350314086 12.2994280694 13.5266638803\nO 14.3527329320 10.8520560051 13.3171218090\nN 13.1752341145 11.8387792044 10.4072478436\nN 12.5210288004 13.3391041579 9.0305097921\nO 12.6238751590 13.0099632796 7.8733565050\nO 12.1781397009 14.3447994173 9.5922133177\nN 12.7526643785 10.6038889926 10.3081518991\nN 10.5975350985 10.6671822218 11.4205003812\nO 9.6032243400 10.9859232886 10.7867198583\nO 10.7125295028 10.2627384447 12.5530309250\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 1038.4 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 34.0\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 1051.8 secs\n\n total energy = -1655.76487515 Ry\n estimated scf accuracy < 0.00772120 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.88E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 1056.0 secs\n\n total energy = -1655.76309100 Ry\n estimated scf accuracy < 0.35874011 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.88E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 1060.1 secs\n\n total energy = -1655.76544527 Ry\n estimated scf accuracy < 0.00158421 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.91E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 1064.3 secs\n\n total energy = -1655.76553289 Ry\n estimated scf accuracy < 0.00107018 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.99E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 1068.5 secs\n\n total energy = -1655.76559641 Ry\n estimated scf accuracy < 0.00020496 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.65E-08, avg # of iterations = 17.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 1074.1 secs\n\n total energy = -1655.76586364 Ry\n estimated scf accuracy < 0.00012027 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.49E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 1078.4 secs\n\n total energy = -1655.76587490 Ry\n estimated scf accuracy < 0.00010958 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.09E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 1082.8 secs\n\n total energy = -1655.76585949 Ry\n estimated scf accuracy < 0.00010077 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.76E-08, avg # of iterations = 11.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 1087.4 secs\n\n total energy = -1655.76586998 Ry\n estimated scf accuracy < 0.00008011 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.99E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 1091.8 secs\n\n total energy = -1655.76587685 Ry\n estimated scf accuracy < 0.00001232 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.60E-09, avg # of iterations = 12.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 1097.9 secs\n\n total energy = -1655.76589633 Ry\n estimated scf accuracy < 0.00001305 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.60E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 1102.3 secs\n\n total energy = -1655.76589632 Ry\n estimated scf accuracy < 0.00000724 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.70E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 1106.7 secs\n\n total energy = -1655.76589578 Ry\n estimated scf accuracy < 0.00000880 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.70E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 1111.6 secs\n\n total energy = -1655.76589696 Ry\n estimated scf accuracy < 0.00000545 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.03E-09, avg # of iterations = 4.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 1116.0 secs\n\n total energy = -1655.76589742 Ry\n estimated scf accuracy < 0.00000170 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.35E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 1121.2 secs\n\n total energy = -1655.76589847 Ry\n estimated scf accuracy < 0.00000143 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.34E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 1125.7 secs\n\n total energy = -1655.76589855 Ry\n estimated scf accuracy < 0.00000094 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.49E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 1130.0 secs\n\n total energy = -1655.76589860 Ry\n estimated scf accuracy < 0.00000036 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.35E-10, avg # of iterations = 13.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 1135.3 secs\n\n total energy = -1655.76589887 Ry\n estimated scf accuracy < 0.00000052 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.35E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 1139.8 secs\n\n total energy = -1655.76589891 Ry\n estimated scf accuracy < 0.00000018 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.64E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 1144.6 secs\n\n total energy = -1655.76589896 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.91E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 1149.5 secs\n\n total energy = -1655.76589902 Ry\n estimated scf accuracy < 0.00000009 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.22E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 1153.9 secs\n\n total energy = -1655.76589904 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.17E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 1158.8 secs\n\n total energy = -1655.76589907 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.46E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 1163.2 secs\n\n total energy = -1655.76589909 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.30E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 1167.7 secs\n\n total energy = -1655.76589911 Ry\n estimated scf accuracy < 5.6E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.07E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 1173.1 secs\n\n total energy = -1655.76589912 Ry\n estimated scf accuracy < 3.8E-09 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.41E-12, avg # of iterations = 4.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 1177.6 secs\n\n total energy = -1655.76589913 Ry\n estimated scf accuracy < 2.0E-09 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.54E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 1182.4 secs\n\n total energy = -1655.76589913 Ry\n estimated scf accuracy < 2.1E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.54E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 1186.8 secs\n\n total energy = -1655.76589913 Ry\n estimated scf accuracy < 9.6E-10 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.59E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 1191.6 secs\n\n total energy = -1655.76589914 Ry\n estimated scf accuracy < 6.1E-10 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.29E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 1195.5 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8621 -32.8546 -32.7792 -32.7539 -32.6667 -32.5297 -32.1498 -32.1402\n -32.0719 -31.9943 -30.6635 -29.6093 -29.2132 -29.0423 -28.9695 -28.9400\n -28.8866 -28.8613 -28.7497 -28.5831 -28.4211 -28.3936 -28.1827 -28.1224\n -27.4433 -26.8144 -25.5712 -24.8069 -24.3526 -23.9966 -22.8197 -21.9636\n -20.7064 -19.2410 -18.6884 -18.2158 -17.8251 -17.5229 -17.3444 -17.2929\n -17.0886 -16.9354 -16.5905 -16.5530 -16.5462 -16.5263 -16.4346 -16.3899\n -15.7295 -15.6810 -15.5004 -15.3463 -15.1785 -15.0665 -15.0476 -14.8573\n -14.7492 -14.6832 -14.6200 -14.5922 -14.4904 -14.4775 -14.4521 -14.3603\n -14.3293 -14.3010 -14.2582 -14.2312 -14.2037 -14.1443 -14.0862 -13.9797\n -13.9703 -13.9582 -13.9496 -13.8778 -13.8279 -13.7979 -13.7434 -13.6934\n -13.6525 -13.6219 -13.1756 -13.0594 -12.7087 -12.4461 -12.1175 -12.0684\n -11.8030 -11.4608 -11.4170 -11.3341 -10.9493 -10.7932 -10.4637 -10.0214\n -9.9220 -9.8025 -9.7778 -9.6989 -9.6591 -9.6159 -9.5706 -9.5369\n -9.5071 -9.3901 -9.3811 -9.3443 -9.3195 -9.2031 -9.1715 -9.0931\n -9.0220 -8.9993 -8.9557 -8.9051 -8.8434 -8.8273 -8.6510 -8.5904\n -8.5137 -8.2450 -8.1291 -8.0308 -7.7193 -7.5794 -7.3154 -7.1969\n -7.0113 -6.8435 -6.4086 -6.3430 -6.2863 -6.0790 -6.0696 -5.8324\n -5.5711 -4.8942 -4.7897 -4.7100 -4.4688 -4.2605 -4.1309 -4.0547\n -4.0401 -3.8877 -3.8201 -3.6914 -3.6721 -3.6655 -3.5951 -3.5241\n -3.4029 -3.2383 -3.0745 -2.8101 -2.3782 -2.3284 -0.7226 -0.4063\n -0.1533\n\n the Fermi energy is -6.0743 ev\n\n! total energy = -1655.76589917 Ry\n total all-electron energy = -6224.598247 Ry\n estimated scf accuracy < 2.2E-10 Ry\n smearing contrib. (-TS) = -0.00561548 Ry\n internal energy E=F+TS = -1655.76028368 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18280.45415652 Ry\n hartree contribution = 9173.22665344 Ry\n xc contribution = -312.73983686 Ry\n ewald contribution = 8192.17812789 Ry\n DFT-D3 Dispersion = -0.16195089 Ry\n one-center paw contrib. = -427.80912075 Ry\n\n convergence has been achieved in 32 iterations\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00172643 0.00198690 -0.00117054\n atom 2 type 1 force = -0.00108350 -0.00147486 0.00004000\n atom 3 type 2 force = -0.00491984 -0.00051252 -0.00077816\n atom 4 type 2 force = -0.00169481 -0.00061030 0.00047973\n atom 5 type 1 force = 0.00005754 0.00045357 -0.00034306\n atom 6 type 1 force = 0.00012970 -0.00121259 -0.00082882\n atom 7 type 2 force = 0.00031853 0.00174962 0.00290332\n atom 8 type 2 force = 0.00310604 -0.00120718 -0.00095940\n atom 9 type 1 force = 0.00006055 0.00028274 0.00099724\n atom 10 type 1 force = 0.00035534 0.00014795 0.00193292\n atom 11 type 2 force = -0.00012999 0.00117544 0.00028872\n atom 12 type 2 force = 0.00043331 -0.00123792 -0.00008460\n atom 13 type 1 force = 0.00033886 0.00007331 -0.00187821\n atom 14 type 1 force = -0.00083530 -0.00110798 -0.00103973\n atom 15 type 1 force = -0.00004346 0.00038340 0.00104631\n atom 16 type 2 force = -0.00082442 -0.00025461 -0.00016070\n atom 17 type 2 force = 0.00162206 0.00194659 -0.00330800\n atom 18 type 1 force = -0.00154816 -0.00014854 -0.00434774\n atom 19 type 1 force = 0.00041577 0.00079286 -0.00024411\n atom 20 type 2 force = 0.00113922 -0.00012810 0.00172763\n atom 21 type 2 force = 0.00010969 0.00096573 0.00164737\n atom 22 type 3 force = -0.00009940 0.00225890 -0.00160455\n atom 23 type 1 force = -0.00123045 -0.00003747 0.00343542\n atom 24 type 1 force = 0.00140934 -0.00049180 0.00018980\n atom 25 type 1 force = -0.00004219 -0.00033381 -0.00076500\n atom 26 type 1 force = -0.00041580 0.00115961 -0.00157055\n atom 27 type 1 force = -0.00062638 -0.00068920 0.00062665\n atom 28 type 1 force = 0.00034313 0.00299905 0.00118640\n atom 29 type 3 force = 0.00036885 0.00009207 -0.00210629\n atom 30 type 1 force = 0.00086296 0.00351004 -0.00242368\n atom 31 type 1 force = 0.00259494 0.00281240 0.00095424\n atom 32 type 2 force = -0.00272729 -0.00218325 -0.00124739\n atom 33 type 2 force = -0.00231696 -0.00068314 0.00023236\n atom 34 type 1 force = 0.00045415 -0.00361887 0.00318313\n atom 35 type 1 force = -0.00308206 -0.00106324 -0.00216605\n atom 36 type 2 force = 0.00210896 0.00107208 0.00131763\n atom 37 type 2 force = -0.00255089 -0.00007565 -0.00048101\n atom 38 type 1 force = 0.00005246 -0.00021647 0.00265170\n atom 39 type 1 force = 0.00032322 -0.00129361 0.00158755\n atom 40 type 1 force = 0.00165773 0.00095102 -0.00000530\n atom 41 type 2 force = -0.00132312 -0.00100028 -0.00173552\n atom 42 type 2 force = 0.00019036 -0.00041763 -0.00005963\n atom 43 type 1 force = -0.00017780 -0.00055365 -0.00024248\n atom 44 type 1 force = -0.00124060 0.00096570 -0.00388495\n atom 45 type 2 force = 0.00041377 -0.00077425 0.00180573\n atom 46 type 2 force = 0.00144500 -0.00125386 0.00229523\n atom 47 type 1 force = 0.00135604 -0.00290464 0.00236599\n atom 48 type 1 force = 0.00252786 -0.00050938 0.00169284\n atom 49 type 2 force = 0.00040698 0.00087515 -0.00156469\n atom 50 type 2 force = 0.00058366 -0.00065931 0.00041221\n\n Total force = 0.019068 Total SCF correction = 0.000031\n Energy error = 4.8E-04 Ry\n Gradient error = 4.9E-03 Ry/Bohr\n\n number of scf cycles = 58\n number of bfgs steps = 57\n\n energy old = -1655.7654210592 Ry\n energy new = -1655.7658991669 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0393323433 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7995889676 9.7807528399 9.2941202338\nN 10.5948015730 9.9506129043 8.1281545421\nO 9.6077440893 9.3367323718 8.5033455868\nO 10.7072761687 10.8716374053 7.3518147578\nN 13.1367068201 8.5173402137 9.2268985646\nN 12.2728712080 7.0970746206 10.4761458160\nO 12.2405275332 7.4475383180 11.6308197688\nO 11.9805110158 6.0914741992 9.8902561989\nN 14.3883937356 8.0663027576 9.6724274811\nN 15.1530719865 8.4340358311 6.7631464907\nO 14.6948202456 9.5011639542 6.4060912016\nO 15.9199790277 7.6462189554 6.2537110359\nN 15.1133487249 8.8479073380 10.3658702267\nN 16.4113915989 8.4633379097 10.3376475309\nN 16.5605766530 6.5472812338 10.0465820271\nO 17.3148298673 6.2609413861 9.1594026180\nO 15.8923231567 5.9149347170 10.8232683932\nN 17.2518606642 9.0335476190 11.1843426285\nN 17.4071981672 8.2225311680 12.8418759561\nO 17.8079106586 7.0838069728 12.7683158458\nO 17.0438658422 8.9176026123 13.7541074065\nC 18.4850652007 9.3463285115 10.5928084758\nN 19.5520567579 8.4860428281 9.8348243816\nN 19.5555234004 9.5760267936 8.6963869790\nN 20.6383947225 10.3528693297 9.4735440440\nN 19.5704567557 11.1930924118 10.2133129596\nN 19.5510370399 10.1001448809 11.3544766348\nN 20.6300051194 9.3099435324 10.5815731902\nC 18.5030931614 10.3642796545 9.4473502263\nN 17.3243974389 10.7949934173 8.8170473686\nN 17.6052438229 11.3860677142 7.1155772841\nO 17.4780647133 12.5836782523 7.0227192559\nO 17.8140214476 10.5133884055 6.3190540360\nN 16.5273392515 11.5368993312 9.5658426923\nN 16.9504087767 13.4285366734 9.9433002972\nO 16.3162715714 14.1926189833 9.2698449291\nO 17.7795463758 13.5394297532 10.8017569075\nN 15.1987098281 11.3135292074 9.4493299290\nN 14.4945499928 12.1720075891 10.0668653560\nN 15.2031703669 11.6347483840 12.9508327256\nO 16.0389971866 12.3019249689 13.5212179360\nO 14.3545302477 10.8545155529 13.3193208658\nN 13.1717831133 11.8350814779 10.4099444184\nN 12.5149834255 13.3307416255 9.0330075035\nO 12.6174688132 13.0003125237 7.8780320253\nO 12.1724336964 14.3349721901 9.5950541659\nN 12.7509835081 10.5997753790 10.3132250341\nN 10.5952180725 10.6562984739 11.4184915235\nO 9.5998090964 10.9739622745 10.7837964574\nO 10.7095324361 10.2606928115 12.5539198195\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 1205.7 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 2 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 1216.6 secs\n\n total energy = -1655.76133160 Ry\n estimated scf accuracy < 0.03703935 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.38E-05, avg # of iterations = 1.0\n\n negative rho (up, down): 2.831E-02 0.000E+00\n\n total cpu time spent up to now is 1220.7 secs\n\n total energy = -1655.76151712 Ry\n estimated scf accuracy < 0.77274861 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.38E-05, avg # of iterations = 1.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 1224.8 secs\n\n total energy = -1655.76529753 Ry\n estimated scf accuracy < 0.02053051 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.66E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 1229.0 secs\n\n total energy = -1655.76437937 Ry\n estimated scf accuracy < 0.09901988 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.66E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 1233.1 secs\n\n total energy = -1655.76564668 Ry\n estimated scf accuracy < 0.06768707 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.66E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 1237.3 secs\n\n total energy = -1655.76613907 Ry\n estimated scf accuracy < 0.00008026 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.99E-08, avg # of iterations = 17.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 1243.7 secs\n\n total energy = -1655.76638013 Ry\n estimated scf accuracy < 0.00007506 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.80E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 1248.0 secs\n\n total energy = -1655.76638439 Ry\n estimated scf accuracy < 0.00013873 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.80E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 1252.2 secs\n\n total energy = -1655.76637994 Ry\n estimated scf accuracy < 0.00107965 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.80E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 1256.5 secs\n\n total energy = -1655.76638120 Ry\n estimated scf accuracy < 0.00026988 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.80E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 1260.8 secs\n\n total energy = -1655.76637070 Ry\n estimated scf accuracy < 0.00006564 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.45E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 1265.0 secs\n\n total energy = -1655.76636767 Ry\n estimated scf accuracy < 0.00002505 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.35E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 1269.4 secs\n\n total energy = -1655.76636881 Ry\n estimated scf accuracy < 0.00001159 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.33E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.767E-02 0.000E+00\n\n total cpu time spent up to now is 1273.8 secs\n\n total energy = -1655.76636938 Ry\n estimated scf accuracy < 0.00000309 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.15E-09, avg # of iterations = 16.0\n\n negative rho (up, down): 2.769E-02 0.000E+00\n\n total cpu time spent up to now is 1279.9 secs\n\n total energy = -1655.76637456 Ry\n estimated scf accuracy < 0.00000497 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.15E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.769E-02 0.000E+00\n\n total cpu time spent up to now is 1284.2 secs\n\n total energy = -1655.76637425 Ry\n estimated scf accuracy < 0.00000277 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.03E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.768E-02 0.000E+00\n\n total cpu time spent up to now is 1288.5 secs\n\n total energy = -1655.76637413 Ry\n estimated scf accuracy < 0.00000152 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.67E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.768E-02 0.000E+00\n\n total cpu time spent up to now is 1293.1 secs\n\n total energy = -1655.76637430 Ry\n estimated scf accuracy < 0.00000067 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.51E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.769E-02 0.000E+00\n\n total cpu time spent up to now is 1298.2 secs\n\n total energy = -1655.76637466 Ry\n estimated scf accuracy < 0.00000070 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.51E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.773E-02 0.000E+00\n\n total cpu time spent up to now is 1302.5 secs\n\n total energy = -1655.76637461 Ry\n estimated scf accuracy < 0.00000028 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.03E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.774E-02 0.000E+00\n\n total cpu time spent up to now is 1307.2 secs\n\n total energy = -1655.76637466 Ry\n estimated scf accuracy < 0.00000020 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.42E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 1311.7 secs\n\n total energy = -1655.76637464 Ry\n estimated scf accuracy < 0.00000014 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.13E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 1316.3 secs\n\n total energy = -1655.76637458 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.44E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 1320.8 secs\n\n total energy = -1655.76637451 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.40E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 1325.6 secs\n\n total energy = -1655.76637448 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.34E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 1330.7 secs\n\n total energy = -1655.76637447 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.93E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 1335.0 secs\n\n total energy = -1655.76637443 Ry\n estimated scf accuracy < 1.0E-08 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.72E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 1339.5 secs\n\n total energy = -1655.76637441 Ry\n estimated scf accuracy < 6.1E-09 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.28E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 1344.4 secs\n\n total energy = -1655.76637441 Ry\n estimated scf accuracy < 4.6E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.71E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 1348.9 secs\n\n total energy = -1655.76637440 Ry\n estimated scf accuracy < 2.2E-09 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.34E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 1353.4 secs\n\n total energy = -1655.76637438 Ry\n estimated scf accuracy < 2.0E-09 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.35E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 1357.7 secs\n\n total energy = -1655.76637437 Ry\n estimated scf accuracy < 9.3E-10 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.47E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 1362.5 secs\n\n total energy = -1655.76637437 Ry\n estimated scf accuracy < 6.2E-10 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.32E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 1367.3 secs\n\n total energy = -1655.76637436 Ry\n estimated scf accuracy < 1.0E-09 Ry\n\n iteration # 35 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.32E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 1370.9 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8686 -32.8542 -32.8271 -32.7709 -32.6531 -32.5735 -32.1993 -32.1171\n -32.0637 -31.9835 -30.6769 -29.6211 -29.2244 -29.0405 -28.9650 -28.9277\n -28.9155 -28.8677 -28.7914 -28.5923 -28.4832 -28.3758 -28.1705 -28.1052\n -27.4562 -26.8250 -25.5809 -24.8157 -24.3653 -24.0078 -22.8249 -21.9735\n -20.7077 -19.2450 -18.7014 -18.2178 -17.8317 -17.5287 -17.3207 -17.2732\n -17.0883 -16.9400 -16.5937 -16.5659 -16.5479 -16.5231 -16.4253 -16.3905\n -15.7405 -15.6902 -15.4854 -15.3421 -15.1803 -15.0728 -15.0594 -14.8613\n -14.7476 -14.6989 -14.6333 -14.5898 -14.5156 -14.4709 -14.4538 -14.3887\n -14.3327 -14.2945 -14.2389 -14.2235 -14.2159 -14.1583 -14.0849 -14.0121\n -13.9976 -13.9617 -13.9359 -13.8766 -13.8245 -13.7861 -13.7417 -13.7068\n -13.6482 -13.6109 -13.1759 -13.0640 -12.7208 -12.4500 -12.1244 -12.0713\n -11.8100 -11.4618 -11.4151 -11.3399 -10.9553 -10.7933 -10.4737 -10.0259\n -9.9175 -9.8039 -9.7802 -9.7010 -9.6675 -9.6075 -9.5770 -9.5471\n -9.4971 -9.4169 -9.3786 -9.3509 -9.3156 -9.2053 -9.1707 -9.0870\n -9.0196 -8.9878 -8.9563 -8.9173 -8.8612 -8.8212 -8.6539 -8.5825\n -8.5027 -8.2412 -8.1223 -8.0393 -7.7151 -7.5849 -7.3127 -7.1912\n -7.0118 -6.8432 -6.4104 -6.3408 -6.2892 -6.0742 -6.0648 -5.8319\n -5.5733 -4.8989 -4.7949 -4.7160 -4.4654 -4.2642 -4.1153 -4.0326\n -4.0197 -3.8836 -3.8139 -3.6918 -3.6756 -3.6718 -3.5969 -3.5145\n -3.4002 -3.2343 -3.0722 -2.8163 -2.3697 -2.3257 -0.7308 -0.4048\n -0.1527\n\n the Fermi energy is -6.0695 ev\n\n! total energy = -1655.76637434 Ry\n total all-electron energy = -6224.598722 Ry\n estimated scf accuracy < 3.6E-10 Ry\n smearing contrib. (-TS) = -0.00561485 Ry\n internal energy E=F+TS = -1655.76075949 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18287.94299523 Ry\n hartree contribution = 9176.95706475 Ry\n xc contribution = -312.77343563 Ry\n ewald contribution = 8195.96994253 Ry\n DFT-D3 Dispersion = -0.16221216 Ry\n one-center paw contrib. = -427.80912374 Ry\n\n convergence has been achieved in 35 iterations\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00119444 0.00189006 -0.00109379\n atom 2 type 1 force = -0.00067215 -0.00164478 -0.00060985\n atom 3 type 2 force = -0.00334485 -0.00156416 -0.00023487\n atom 4 type 2 force = -0.00194779 0.00031792 -0.00009597\n atom 5 type 1 force = -0.00162877 -0.00046195 -0.00160366\n atom 6 type 1 force = 0.00049094 -0.00205973 0.00065826\n atom 7 type 2 force = 0.00005075 0.00185949 0.00226991\n atom 8 type 2 force = 0.00296307 -0.00024627 -0.00152922\n atom 9 type 1 force = -0.00166346 0.00064186 0.00155351\n atom 10 type 1 force = 0.00028618 0.00074383 0.00141910\n atom 11 type 2 force = 0.00096821 -0.00075810 0.00053486\n atom 12 type 2 force = -0.00058962 0.00010369 0.00024602\n atom 13 type 1 force = 0.00063132 0.00073070 -0.00303688\n atom 14 type 1 force = 0.00003016 -0.00295960 -0.00162819\n atom 15 type 1 force = 0.00014190 -0.00053013 -0.00048620\n atom 16 type 2 force = 0.00065473 0.00132845 -0.00134963\n atom 17 type 2 force = -0.00034657 0.00120584 -0.00041474\n atom 18 type 1 force = -0.00336970 0.00072533 -0.00109714\n atom 19 type 1 force = 0.00226980 0.00153953 -0.00107558\n atom 20 type 2 force = 0.00020786 -0.00019022 0.00338349\n atom 21 type 2 force = 0.00002745 -0.00046855 0.00039083\n atom 22 type 3 force = -0.00093772 0.00207285 0.00010444\n atom 23 type 1 force = 0.00032871 -0.00129086 0.00301606\n atom 24 type 1 force = 0.00122702 0.00119923 -0.00054360\n atom 25 type 1 force = 0.00131627 -0.00072797 -0.00022119\n atom 26 type 1 force = 0.00011579 0.00099876 -0.00135402\n atom 27 type 1 force = 0.00021269 0.00091255 -0.00077137\n atom 28 type 1 force = 0.00110290 0.00224221 0.00117515\n atom 29 type 3 force = -0.00094455 0.00008354 -0.00193439\n atom 30 type 1 force = -0.00085786 0.00279385 -0.00228775\n atom 31 type 1 force = 0.00102031 0.00429268 0.00510560\n atom 32 type 2 force = -0.00346021 0.00492871 -0.00033576\n atom 33 type 2 force = -0.00039700 -0.00885678 -0.00517224\n atom 34 type 1 force = 0.00010376 -0.00070248 0.00229337\n atom 35 type 1 force = -0.00152511 -0.00331361 -0.00210609\n atom 36 type 2 force = -0.00054432 0.00221377 -0.00073995\n atom 37 type 2 force = -0.00076641 0.00041552 0.00205692\n atom 38 type 1 force = 0.00141033 -0.00216489 0.00157691\n atom 39 type 1 force = 0.00049708 -0.00134797 0.00266675\n atom 40 type 1 force = 0.00228166 0.00204307 -0.00398802\n atom 41 type 2 force = -0.00051076 -0.00053692 0.00025202\n atom 42 type 2 force = -0.00128109 -0.00196719 0.00196001\n atom 43 type 1 force = -0.00059500 0.00026518 -0.00019861\n atom 44 type 1 force = -0.00069663 -0.00033582 -0.00132848\n atom 45 type 2 force = 0.00071417 -0.00182950 -0.00234097\n atom 46 type 2 force = 0.00045314 0.00167887 0.00370348\n atom 47 type 1 force = 0.00206458 -0.00356573 0.00212764\n atom 48 type 1 force = -0.00013689 0.00124849 0.00086251\n atom 49 type 2 force = 0.00248217 0.00021320 -0.00046986\n atom 50 type 2 force = 0.00096905 -0.00116599 0.00069119\n\n Total force = 0.022769 Total SCF correction = 0.000051\n Energy error = 4.8E-04 Ry\n Gradient error = 8.9E-03 Ry/Bohr\n\n number of scf cycles = 59\n number of bfgs steps = 58\n\n energy old = -1655.7658991669 Ry\n energy new = -1655.7663743355 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0796346130 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8009927776 9.7715795356 9.2972667917\nN 10.5915110158 9.9420605757 8.1401874195\nO 9.6030939595 9.3265925085 8.5093945068\nO 10.7040529363 10.8711105910 7.3730985721\nN 13.1429509783 8.5087733593 9.2332652851\nN 12.2766249016 7.0919236705 10.4806791461\nO 12.2519804575 7.4459576000 11.6352920451\nO 11.9822321135 6.0844738412 9.8983906220\nN 14.3950738721 8.0623971622 9.6781691975\nN 15.1615808472 8.4265693668 6.7564792618\nO 14.6943189171 9.4887495858 6.3948151123\nO 15.9267698013 7.6380213102 6.2457259913\nN 15.1152517108 8.8466371293 10.3730955270\nN 16.4146354079 8.4732136276 10.3385863717\nN 16.5801245973 6.5578424185 10.0397950416\nO 17.3324580068 6.2793740266 9.1478760108\nO 15.9182129343 5.9160249400 10.8138770262\nN 17.2530650885 9.0477504038 11.1810085213\nN 17.4190736213 8.2315158712 12.8395428251\nO 17.8210295162 7.0944395700 12.7558417824\nO 17.0650933909 8.9227715470 13.7582566250\nC 18.4850664400 9.3620541097 10.5888645931\nN 19.5500044580 8.4971629102 9.8410453029\nN 19.5542167499 9.5779300533 8.6928259749\nN 20.6361471003 10.3621299292 9.4649743819\nN 19.5670767464 11.2069757343 10.1995251836\nN 19.5477559879 10.1194704515 11.3494816013\nN 20.6287909266 9.3281075246 10.5804283027\nC 18.5018812378 10.3720044589 9.4377654374\nN 17.3224725232 10.8011634693 8.8069619617\nN 17.5954197399 11.3905956284 7.1145729103\nO 17.4366104613 12.5858954147 7.0154750798\nO 17.8297646128 10.5145205908 6.3226119082\nN 16.5208960792 11.5323152460 9.5645832527\nN 16.9393148632 13.4242308978 9.9486456402\nO 16.3115941706 14.2014347255 9.2798204653\nO 17.7713625125 13.5272587517 10.8072588699\nN 15.1936553564 11.3091204352 9.4467583205\nN 14.4870253394 12.1688971104 10.0601581057\nN 15.2125292535 11.6342548075 12.9578200383\nO 16.0497350362 12.3062610102 13.5203361648\nO 14.3546155732 10.8657030153 13.3349520421\nN 13.1655219429 11.8283508328 10.4073058801\nN 12.4949224048 13.3172457448 9.0338008434\nO 12.5977104736 12.9845272618 7.8792771009\nO 12.1468804565 14.3202545711 9.5975447639\nN 12.7490644547 10.5903213643 10.3174961788\nN 10.5944517859 10.6403882221 11.4194244798\nO 9.5995091009 10.9552082170 10.7824439489\nO 10.7085704047 10.2541171295 12.5579993174\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.781E-02 0.000E+00\n\n total cpu time spent up to now is 1381.1 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 34.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 1395.1 secs\n\n total energy = -1655.76634321 Ry\n estimated scf accuracy < 0.00552653 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.06E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 1399.2 secs\n\n total energy = -1655.76592836 Ry\n estimated scf accuracy < 0.06577791 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.06E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 1403.4 secs\n\n total energy = -1655.76631311 Ry\n estimated scf accuracy < 0.00832584 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.06E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.823E-02 0.000E+00\n\n total cpu time spent up to now is 1407.7 secs\n\n total energy = -1655.76644319 Ry\n estimated scf accuracy < 0.00103516 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.86E-07, avg # of iterations = 5.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 1412.2 secs\n\n total energy = -1655.76653981 Ry\n estimated scf accuracy < 0.00019268 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.19E-08, avg # of iterations = 13.0\n\n negative rho (up, down): 2.827E-02 0.000E+00\n\n total cpu time spent up to now is 1417.8 secs\n\n total energy = -1655.76676443 Ry\n estimated scf accuracy < 0.00009124 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.40E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 1422.5 secs\n\n total energy = -1655.76675663 Ry\n estimated scf accuracy < 0.00006374 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.38E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 1427.4 secs\n\n total energy = -1655.76678527 Ry\n estimated scf accuracy < 0.00000911 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.40E-09, avg # of iterations = 14.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 1433.4 secs\n\n total energy = -1655.76680021 Ry\n estimated scf accuracy < 0.00000806 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.01E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 1437.7 secs\n\n total energy = -1655.76679889 Ry\n estimated scf accuracy < 0.00000545 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.03E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.835E-02 0.000E+00\n\n total cpu time spent up to now is 1442.3 secs\n\n total energy = -1655.76680039 Ry\n estimated scf accuracy < 0.00000272 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.01E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 1447.1 secs\n\n total energy = -1655.76680124 Ry\n estimated scf accuracy < 0.00000127 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.72E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 1452.0 secs\n\n total energy = -1655.76680178 Ry\n estimated scf accuracy < 0.00000095 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.54E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 1456.4 secs\n\n total energy = -1655.76680183 Ry\n estimated scf accuracy < 0.00000246 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.54E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 1460.7 secs\n\n total energy = -1655.76680187 Ry\n estimated scf accuracy < 0.00000024 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.82E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 1465.8 secs\n\n total energy = -1655.76680209 Ry\n estimated scf accuracy < 0.00000019 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.11E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 1470.1 secs\n\n total energy = -1655.76680215 Ry\n estimated scf accuracy < 0.00000007 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.60E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.823E-02 0.000E+00\n\n total cpu time spent up to now is 1475.1 secs\n\n total energy = -1655.76680220 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 1479.6 secs\n\n total energy = -1655.76680223 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.67E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 1484.7 secs\n\n total energy = -1655.76680227 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.10E-12, avg # of iterations = 4.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 1489.1 secs\n\n total energy = -1655.76680231 Ry\n estimated scf accuracy < 8.7E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.25E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 1493.4 secs\n\n total energy = -1655.76680233 Ry\n estimated scf accuracy < 7.8E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.92E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 1497.7 secs\n\n total energy = -1655.76680235 Ry\n estimated scf accuracy < 2.6E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.83E-13, avg # of iterations = 14.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 1502.8 secs\n\n total energy = -1655.76680235 Ry\n estimated scf accuracy < 4.9E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.83E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 1507.2 secs\n\n total energy = -1655.76680237 Ry\n estimated scf accuracy < 1.1E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.25E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 1512.1 secs\n\n total energy = -1655.76680238 Ry\n estimated scf accuracy < 1.7E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.25E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 1515.8 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8573 -32.8069 -32.7683 -32.7610 -32.6459 -32.5611 -32.1815 -32.1146\n -32.0706 -31.9793 -30.6801 -29.6293 -29.2358 -28.9739 -28.9671 -28.9137\n -28.8825 -28.8666 -28.7916 -28.5982 -28.4748 -28.3737 -28.1766 -28.0992\n -27.4644 -26.8332 -25.5850 -24.8134 -24.3712 -24.0185 -22.8300 -21.9867\n -20.7092 -19.2507 -18.7121 -18.2146 -17.8561 -17.5430 -17.3156 -17.2620\n -17.0997 -16.9514 -16.6036 -16.5723 -16.5524 -16.5277 -16.4279 -16.3961\n -15.7516 -15.6977 -15.4704 -15.3313 -15.1748 -15.0756 -15.0545 -14.8631\n -14.7525 -14.6678 -14.6333 -14.5808 -14.5041 -14.4701 -14.4515 -14.3859\n -14.3327 -14.2649 -14.2294 -14.2274 -14.2119 -14.1654 -14.0910 -14.0130\n -13.9894 -13.9624 -13.9349 -13.8812 -13.8291 -13.7845 -13.7349 -13.7013\n -13.6433 -13.6090 -13.1714 -13.0649 -12.7277 -12.4461 -12.1241 -12.0720\n -11.8104 -11.4623 -11.4155 -11.3383 -10.9598 -10.7885 -10.4748 -10.0285\n -9.9155 -9.8059 -9.7839 -9.6965 -9.6631 -9.6117 -9.5753 -9.5436\n -9.4915 -9.4185 -9.3800 -9.3520 -9.3202 -9.2061 -9.1638 -9.0938\n -9.0225 -8.9825 -8.9563 -8.9151 -8.8481 -8.8219 -8.6606 -8.5857\n -8.4996 -8.2432 -8.1211 -8.0534 -7.7153 -7.5920 -7.3153 -7.1887\n -7.0177 -6.8496 -6.4143 -6.3472 -6.2976 -6.0783 -6.0695 -5.8346\n -5.5754 -4.9097 -4.8021 -4.7213 -4.4643 -4.2643 -4.1512 -4.0292\n -4.0151 -3.8934 -3.8275 -3.7000 -3.6857 -3.6757 -3.6049 -3.5162\n -3.3985 -3.2363 -3.0764 -2.8215 -2.3691 -2.3290 -0.7557 -0.4059\n -0.1547\n\n the Fermi energy is -6.0739 ev\n\n! total energy = -1655.76680241 Ry\n total all-electron energy = -6224.599150 Ry\n estimated scf accuracy < 3.6E-10 Ry\n smearing contrib. (-TS) = -0.00561845 Ry\n internal energy E=F+TS = -1655.76118396 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18289.05428996 Ry\n hartree contribution = 9177.51233559 Ry\n xc contribution = -312.75523152 Ry\n ewald contribution = 8196.50780073 Ry\n DFT-D3 Dispersion = -0.16228778 Ry\n one-center paw contrib. = -427.80951102 Ry\n\n convergence has been achieved in 27 iterations\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00132790 0.00124562 -0.00033977\n atom 2 type 1 force = -0.00057635 -0.00121928 -0.00151011\n atom 3 type 2 force = -0.00101307 -0.00198769 -0.00020250\n atom 4 type 2 force = -0.00139858 -0.00004409 0.00006418\n atom 5 type 1 force = -0.00281653 -0.00061015 -0.00228095\n atom 6 type 1 force = 0.00118700 -0.00182650 0.00194476\n atom 7 type 2 force = -0.00065132 0.00052340 0.00033586\n atom 8 type 2 force = 0.00292825 0.00095121 -0.00057214\n atom 9 type 1 force = -0.00323990 -0.00033862 0.00065111\n atom 10 type 1 force = -0.00013352 0.00153741 0.00127986\n atom 11 type 2 force = 0.00140594 -0.00153218 0.00082450\n atom 12 type 2 force = -0.00059560 0.00013792 0.00023051\n atom 13 type 1 force = 0.00068134 0.00202500 -0.00336597\n atom 14 type 1 force = 0.00068516 -0.00396748 -0.00223608\n atom 15 type 1 force = 0.00026393 -0.00174199 -0.00194202\n atom 16 type 2 force = 0.00049070 0.00218645 -0.00085051\n atom 17 type 2 force = -0.00080069 0.00128775 0.00037789\n atom 18 type 1 force = -0.00296025 0.00162004 0.00165489\n atom 19 type 1 force = 0.00272484 0.00282257 -0.00172291\n atom 20 type 2 force = 0.00027377 -0.00154163 0.00402483\n atom 21 type 2 force = -0.00028211 -0.00054713 0.00032481\n atom 22 type 3 force = -0.00229048 0.00136699 0.00117804\n atom 23 type 1 force = 0.00183358 -0.00110780 0.00164588\n atom 24 type 1 force = 0.00148757 0.00159342 -0.00073968\n atom 25 type 1 force = 0.00106601 -0.00092503 0.00047015\n atom 26 type 1 force = 0.00121383 0.00038727 -0.00151218\n atom 27 type 1 force = 0.00113000 0.00285320 -0.00227170\n atom 28 type 1 force = 0.00064059 0.00093147 0.00130898\n atom 29 type 3 force = -0.00126038 0.00005109 -0.00099630\n atom 30 type 1 force = -0.00230602 0.00236815 -0.00061686\n atom 31 type 1 force = 0.00087417 0.00195621 -0.00105215\n atom 32 type 2 force = -0.00215556 -0.00245618 -0.00111581\n atom 33 type 2 force = -0.00231159 0.00112810 0.00172255\n atom 34 type 1 force = 0.00097440 0.00141045 0.00021255\n atom 35 type 1 force = -0.00081125 0.00186054 -0.00232847\n atom 36 type 2 force = 0.00179091 -0.00307111 0.00201889\n atom 37 type 2 force = -0.00309432 0.00009707 0.00020639\n atom 38 type 1 force = 0.00058044 -0.00267250 0.00110494\n atom 39 type 1 force = 0.00025174 -0.00208558 0.00284382\n atom 40 type 1 force = -0.00027439 -0.00025721 -0.00324390\n atom 41 type 2 force = -0.00129716 -0.00119561 0.00037936\n atom 42 type 2 force = 0.00203130 0.00096090 0.00103972\n atom 43 type 1 force = -0.00026039 0.00011927 0.00034844\n atom 44 type 1 force = -0.00095649 0.00161450 -0.00036757\n atom 45 type 2 force = 0.00038956 -0.00019901 -0.00061281\n atom 46 type 2 force = 0.00185902 -0.00167219 0.00093966\n atom 47 type 1 force = 0.00257792 -0.00286348 0.00120026\n atom 48 type 1 force = -0.00056475 0.00210207 0.00109747\n atom 49 type 2 force = 0.00078638 0.00007918 -0.00008906\n atom 50 type 2 force = 0.00059450 -0.00135483 0.00053911\n\n Total force = 0.019348 Total SCF correction = 0.000046\n Energy error = 4.3E-04 Ry\n Gradient error = 4.0E-03 Ry/Bohr\n\n number of scf cycles = 60\n number of bfgs steps = 59\n\n energy old = -1655.7663743355 Ry\n energy new = -1655.7668024062 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0298583445 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8053803239 9.7726243945 9.2973388831\nN 10.5894305216 9.9406451181 8.1432735654\nO 9.5988488620 9.3279208590 8.5122247784\nO 10.7024930497 10.8687596939 7.3760713909\nN 13.1464101370 8.5095037380 9.2303325603\nN 12.2838575997 7.0910250246 10.4802997052\nO 12.2588077655 7.4515291606 11.6331319493\nO 11.9971797200 6.0801489699 9.9011321139\nN 14.3978277451 8.0644515377 9.6761897214\nN 15.1658346042 8.4296841102 6.7635969394\nO 14.6951559420 9.4878899721 6.3989715590\nO 15.9226158776 7.6365146181 6.2493120753\nN 15.1176434466 8.8485049706 10.3718286815\nN 16.4162968843 8.4733435512 10.3365563590\nN 16.5839222177 6.5604842431 10.0362325204\nO 17.3340567135 6.2826974355 9.1414799727\nO 15.9216954890 5.9172889223 10.8093530239\nN 17.2516357768 9.0525564388 11.1781308219\nN 17.4217493277 8.2385790328 12.8397402546\nO 17.8250241211 7.1016616566 12.7569630560\nO 17.0670299812 8.9268628049 13.7599869234\nC 18.4832557662 9.3680856393 10.5876202162\nN 19.5488014316 8.4993223482 9.8468949077\nN 19.5541060644 9.5763791202 8.6913496322\nN 20.6354016941 10.3630241884 9.4614736690\nN 19.5653268654 11.2114996641 10.1918833307\nN 19.5455419755 10.1274666301 11.3467563843\nN 20.6283082508 9.3357854558 10.5816945968\nC 18.5003761162 10.3730909297 9.4327024169\nN 17.3204691792 10.8043770949 8.8030730579\nN 17.5920251256 11.3904400852 7.1168646148\nO 17.4248648751 12.5829031145 7.0139129545\nO 17.8252237729 10.5142775396 6.3263391561\nN 16.5183442202 11.5273844347 9.5695799410\nN 16.9326736261 13.4213427733 9.9474798233\nO 16.3145571467 14.2035012813 9.2768293593\nO 17.7609979761 13.5230570849 10.8097385257\nN 15.1913001327 11.3043630641 9.4505406803\nN 14.4837571960 12.1645644343 10.0637608796\nN 15.2135557638 11.6315143509 12.9524062891\nO 16.0492123932 12.3069748938 13.5135649422\nO 14.3567646134 10.8639797193 13.3344944283\nN 13.1619488778 11.8250949765 10.4100333362\nN 12.4924415403 13.3120882166 9.0360395335\nO 12.5985002777 12.9762256646 7.8824448346\nO 12.1484068087 14.3149863904 9.6031268321\nN 12.7494676925 10.5837737172 10.3226959935\nN 10.5946322203 10.6358885866 11.4184052637\nO 9.6005057932 10.9492303188 10.7792654463\nO 10.7090295420 10.2523802889 12.5576838319\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 1526.1 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 1536.2 secs\n\n total energy = -1655.76615206 Ry\n estimated scf accuracy < 0.00578636 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.16E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.844E-02 0.000E+00\n\n total cpu time spent up to now is 1540.3 secs\n\n total energy = -1655.76437956 Ry\n estimated scf accuracy < 0.35088487 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.16E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.848E-02 0.000E+00\n\n total cpu time spent up to now is 1544.5 secs\n\n total energy = -1655.76692944 Ry\n estimated scf accuracy < 0.00098213 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.66E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.869E-02 0.000E+00\n\n total cpu time spent up to now is 1548.8 secs\n\n total energy = -1655.76697220 Ry\n estimated scf accuracy < 0.00053017 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.98E-07, avg # of iterations = 6.0\n\n negative rho (up, down): 2.879E-02 0.000E+00\n\n total cpu time spent up to now is 1553.2 secs\n\n total energy = -1655.76703021 Ry\n estimated scf accuracy < 0.00041909 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.56E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.879E-02 0.000E+00\n\n total cpu time spent up to now is 1557.5 secs\n\n total energy = -1655.76706784 Ry\n estimated scf accuracy < 0.00002222 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 22.0\n\n negative rho (up, down): 2.878E-02 0.000E+00\n\n total cpu time spent up to now is 1567.0 secs\n\n total energy = -1655.76727636 Ry\n estimated scf accuracy < 0.00009150 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.877E-02 0.000E+00\n\n total cpu time spent up to now is 1571.3 secs\n\n total energy = -1655.76727575 Ry\n estimated scf accuracy < 0.00010266 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.874E-02 0.000E+00\n\n total cpu time spent up to now is 1575.6 secs\n\n total energy = -1655.76727553 Ry\n estimated scf accuracy < 0.00006866 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.868E-02 0.000E+00\n\n total cpu time spent up to now is 1579.9 secs\n\n total energy = -1655.76727467 Ry\n estimated scf accuracy < 0.00006973 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.857E-02 0.000E+00\n\n total cpu time spent up to now is 1584.2 secs\n\n total energy = -1655.76727359 Ry\n estimated scf accuracy < 0.00006359 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.844E-02 0.000E+00\n\n total cpu time spent up to now is 1588.6 secs\n\n total energy = -1655.76727227 Ry\n estimated scf accuracy < 0.00008303 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.841E-02 0.000E+00\n\n total cpu time spent up to now is 1592.8 secs\n\n total energy = -1655.76727287 Ry\n estimated scf accuracy < 0.00005229 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 1597.1 secs\n\n total energy = -1655.76727251 Ry\n estimated scf accuracy < 0.00005158 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 1601.4 secs\n\n total energy = -1655.76726268 Ry\n estimated scf accuracy < 0.00005400 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 1605.9 secs\n\n total energy = -1655.76726265 Ry\n estimated scf accuracy < 0.00004311 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 1610.2 secs\n\n total energy = -1655.76726130 Ry\n estimated scf accuracy < 0.00001338 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.99E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 1614.6 secs\n\n total energy = -1655.76726228 Ry\n estimated scf accuracy < 0.00000329 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.23E-09, avg # of iterations = 16.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 1620.1 secs\n\n total energy = -1655.76726522 Ry\n estimated scf accuracy < 0.00000252 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.41E-10, avg # of iterations = 4.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 1624.5 secs\n\n total energy = -1655.76726507 Ry\n estimated scf accuracy < 0.00000197 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.35E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 1628.9 secs\n\n total energy = -1655.76726522 Ry\n estimated scf accuracy < 0.00000124 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.63E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.773E-02 0.000E+00\n\n total cpu time spent up to now is 1633.5 secs\n\n total energy = -1655.76726546 Ry\n estimated scf accuracy < 0.00000052 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.95E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.772E-02 0.000E+00\n\n total cpu time spent up to now is 1638.4 secs\n\n total energy = -1655.76726560 Ry\n estimated scf accuracy < 0.00000045 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.68E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.771E-02 0.000E+00\n\n total cpu time spent up to now is 1642.8 secs\n\n total energy = -1655.76726564 Ry\n estimated scf accuracy < 0.00000016 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.96E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.772E-02 0.000E+00\n\n total cpu time spent up to now is 1647.9 secs\n\n total energy = -1655.76726572 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.72E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.776E-02 0.000E+00\n\n total cpu time spent up to now is 1652.3 secs\n\n total energy = -1655.76726565 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.80E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 1656.8 secs\n\n total energy = -1655.76726559 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.79E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 1661.4 secs\n\n total energy = -1655.76726555 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.27E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 1665.8 secs\n\n total energy = -1655.76726548 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.44E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 1670.7 secs\n\n total energy = -1655.76726541 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.04E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 1675.1 secs\n\n total energy = -1655.76726536 Ry\n estimated scf accuracy < 8.5E-09 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.17E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 1679.9 secs\n\n total energy = -1655.76726535 Ry\n estimated scf accuracy < 3.8E-09 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.41E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 1684.9 secs\n\n total energy = -1655.76726534 Ry\n estimated scf accuracy < 2.8E-09 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 1689.3 secs\n\n total energy = -1655.76726529 Ry\n estimated scf accuracy < 1.6E-09 Ry\n\n iteration # 35 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.98E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 1693.8 secs\n\n total energy = -1655.76726528 Ry\n estimated scf accuracy < 5.7E-10 Ry\n\n iteration # 36 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.14E-13, avg # of iterations = 13.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 1699.1 secs\n\n total energy = -1655.76726527 Ry\n estimated scf accuracy < 5.1E-10 Ry\n\n iteration # 37 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.91E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 1702.8 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8468 -32.8348 -32.7789 -32.7527 -32.6571 -32.5723 -32.1720 -32.1447\n -32.0784 -31.9805 -30.6674 -29.6331 -29.2341 -28.9557 -28.9478 -28.9109\n -28.9038 -28.8859 -28.8229 -28.6024 -28.4584 -28.3959 -28.1875 -28.0933\n -27.4630 -26.8309 -25.5761 -24.7953 -24.3603 -24.0191 -22.8283 -21.9824\n -20.7027 -19.2504 -18.7079 -18.2039 -17.8722 -17.5417 -17.3237 -17.2488\n -17.1021 -16.9637 -16.6103 -16.5663 -16.5549 -16.5296 -16.4259 -16.3934\n -15.7490 -15.6959 -15.4652 -15.3272 -15.1611 -15.0815 -15.0460 -14.8651\n -14.7579 -14.6755 -14.6449 -14.5772 -14.5070 -14.4792 -14.4512 -14.4030\n -14.3200 -14.2519 -14.2396 -14.2281 -14.2149 -14.1886 -14.0995 -14.0031\n -13.9797 -13.9716 -13.9535 -13.8875 -13.8365 -13.7844 -13.7330 -13.6981\n -13.6480 -13.6163 -13.1745 -13.0667 -12.7277 -12.4471 -12.1231 -12.0638\n -11.8076 -11.4600 -11.4154 -11.3243 -10.9579 -10.7759 -10.4743 -10.0226\n -9.9154 -9.7982 -9.7811 -9.6921 -9.6650 -9.6239 -9.5939 -9.5398\n -9.4883 -9.4084 -9.3869 -9.3456 -9.3280 -9.1976 -9.1579 -9.1120\n -9.0382 -8.9799 -8.9609 -8.9046 -8.8338 -8.8266 -8.6634 -8.5923\n -8.4971 -8.2492 -8.1143 -8.0603 -7.7120 -7.5921 -7.3153 -7.1873\n -7.0161 -6.8493 -6.4152 -6.3484 -6.2981 -6.0809 -6.0717 -5.8406\n -5.5728 -4.9156 -4.7993 -4.7225 -4.4583 -4.2519 -4.1439 -4.0243\n -4.0059 -3.9000 -3.8470 -3.7027 -3.6816 -3.6713 -3.6057 -3.5134\n -3.3976 -3.2340 -3.0787 -2.8181 -2.3700 -2.3232 -0.7774 -0.4049\n -0.1553\n\n the Fermi energy is -6.0763 ev\n\n! total energy = -1655.76726527 Ry\n total all-electron energy = -6224.599613 Ry\n estimated scf accuracy < 3.3E-10 Ry\n smearing contrib. (-TS) = -0.00561641 Ry\n internal energy E=F+TS = -1655.76164886 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18298.41286222 Ry\n hartree contribution = 9182.19088369 Ry\n xc contribution = -312.76432271 Ry\n ewald contribution = 8201.19695931 Ry\n DFT-D3 Dispersion = -0.16252866 Ry\n one-center paw contrib. = -427.80977826 Ry\n\n convergence has been achieved in 37 iterations\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00081126 0.00061637 -0.00007222\n atom 2 type 1 force = -0.00082851 -0.00224045 -0.00077438\n atom 3 type 2 force = 0.00176565 -0.00258145 -0.00004888\n atom 4 type 2 force = -0.00051757 0.00156240 -0.00129710\n atom 5 type 1 force = -0.00290531 -0.00128563 -0.00215577\n atom 6 type 1 force = 0.00209470 0.00033918 0.00237020\n atom 7 type 2 force = -0.00124427 -0.00069833 -0.00026619\n atom 8 type 2 force = 0.00218166 0.00013699 -0.00029318\n atom 9 type 1 force = -0.00348484 -0.00083172 0.00010414\n atom 10 type 1 force = -0.00003292 0.00036174 0.00238207\n atom 11 type 2 force = -0.00013978 0.00147578 0.00024949\n atom 12 type 2 force = 0.00085269 -0.00172309 -0.00034470\n atom 13 type 1 force = -0.00046237 0.00063005 -0.00407467\n atom 14 type 1 force = 0.00108489 -0.00213329 -0.00139300\n atom 15 type 1 force = 0.00034885 -0.00325399 -0.00266329\n atom 16 type 2 force = -0.00042483 0.00282741 0.00056166\n atom 17 type 2 force = -0.00009086 0.00181031 -0.00007943\n atom 18 type 1 force = -0.00198281 0.00135299 0.00275405\n atom 19 type 1 force = 0.00269942 0.00115300 -0.00144696\n atom 20 type 2 force = 0.00044081 -0.00163481 0.00313631\n atom 21 type 2 force = -0.00069958 0.00107056 0.00056962\n atom 22 type 3 force = -0.00115613 0.00090857 0.00099648\n atom 23 type 1 force = 0.00236247 -0.00012789 -0.00015918\n atom 24 type 1 force = 0.00060266 0.00069030 -0.00014693\n atom 25 type 1 force = 0.00054896 -0.00031764 0.00060221\n atom 26 type 1 force = 0.00158621 -0.00010178 -0.00138900\n atom 27 type 1 force = 0.00121959 0.00428752 -0.00227825\n atom 28 type 1 force = -0.00039531 -0.00027154 0.00113609\n atom 29 type 3 force = -0.00057046 0.00032382 0.00002433\n atom 30 type 1 force = -0.00121383 0.00012280 0.00055652\n atom 31 type 1 force = -0.00189231 0.00171337 0.00019011\n atom 32 type 2 force = -0.00200476 0.00166629 -0.00085129\n atom 33 type 2 force = -0.00072504 -0.00206303 0.00000884\n atom 34 type 1 force = 0.00057046 0.00337373 -0.00157423\n atom 35 type 1 force = 0.00112734 0.00166293 -0.00006355\n atom 36 type 2 force = -0.00096822 -0.00272713 -0.00051715\n atom 37 type 2 force = -0.00172453 -0.00035190 0.00152839\n atom 38 type 1 force = -0.00052686 -0.00177278 0.00097825\n atom 39 type 1 force = 0.00081946 -0.00272042 0.00213188\n atom 40 type 1 force = -0.00003126 -0.00012889 -0.00171842\n atom 41 type 2 force = -0.00129825 -0.00114721 -0.00037655\n atom 42 type 2 force = 0.00179146 0.00080878 0.00034177\n atom 43 type 1 force = 0.00055121 -0.00002906 0.00122140\n atom 44 type 1 force = -0.00020949 0.00071332 0.00040767\n atom 45 type 2 force = -0.00052099 0.00200843 0.00110783\n atom 46 type 2 force = 0.00211047 -0.00304170 -0.00166673\n atom 47 type 1 force = 0.00255498 -0.00137927 0.00029072\n atom 48 type 1 force = -0.00077951 0.00222561 0.00069919\n atom 49 type 2 force = -0.00096427 0.00003523 0.00068098\n atom 50 type 2 force = -0.00033034 -0.00131449 0.00062085\n\n Total force = 0.018328 Total SCF correction = 0.000046\n Energy error = 4.6E-04 Ry\n Gradient error = 4.3E-03 Ry/Bohr\n\n number of scf cycles = 61\n number of bfgs steps = 60\n\n energy old = -1655.7668024062 Ry\n energy new = -1655.7672652696 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0540501251 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8091081850 9.7701214761 9.2996289347\nN 10.5868836775 9.9350141087 8.1488971877\nO 9.5958464399 9.3229576562 8.5180703484\nO 10.6988561045 10.8679208787 7.3855561086\nN 13.1498430725 8.5060348641 9.2279552610\nN 12.2951464656 7.0883593335 10.4829490996\nO 12.2685966176 7.4560509903 11.6333476811\nO 12.0125660228 6.0749631388 9.9059968501\nN 14.4017077650 8.0664013778 9.6748922779\nN 15.1726547443 8.4303956077 6.7710104614\nO 14.6948964279 9.4844467553 6.3992900396\nO 15.9205134154 7.6307920154 6.2509067428\nN 15.1202856246 8.8514111214 10.3689286894\nN 16.4200688158 8.4761216533 10.3344867331\nN 16.5947940070 6.5662809958 10.0285777768\nO 17.3420680556 6.2957381952 9.1302756204\nO 15.9347343970 5.9229051374 10.8010063093\nN 17.2491096125 9.0644932476 11.1774387904\nN 17.4314553022 8.2503135131 12.8377504636\nO 17.8340201067 7.1121159034 12.7554518116\nO 17.0768968956 8.9336142875 13.7627480596\nC 18.4803837817 9.3816102910 10.5865001740\nN 19.5475372221 8.5052854542 9.8551496842\nN 19.5543226011 9.5758119433 8.6887958532\nN 20.6349827019 10.3651686836 9.4557374436\nN 19.5653705158 11.2206118682 10.1774069310\nN 19.5438066751 10.1466125183 11.3401346906\nN 20.6265521421 9.3483827054 10.5841839582\nC 18.4981694473 10.3775335190 9.4243465976\nN 17.3170837483 10.8095095359 8.7962350073\nN 17.5839416250 11.3923534692 7.1189135860\nO 17.3965769364 12.5814477409 7.0099437955\nO 17.8265595796 10.5133733419 6.3315788660\nN 16.5131686666 11.5238781322 9.5717035378\nN 16.9228802378 13.4164179380 9.9479328886\nO 16.3143694522 14.2044382206 9.2770031882\nO 17.7456432607 13.5128709720 10.8160368110\nN 15.1860859884 11.2959298761 9.4540420567\nN 14.4782842326 12.1553053515 10.0672984526\nN 15.2176488446 11.6281802028 12.9468459390\nO 16.0505299991 12.3082645744 13.5047475303\nO 14.3595141406 10.8667575928 13.3397635889\nN 13.1564293069 11.8194496530 10.4126300954\nN 12.4829806768 13.3006482268 9.0384974452\nO 12.5919975254 12.9636594851 7.8873240702\nO 12.1418220637 14.3004212815 9.6094788395\nN 12.7496613087 10.5733440046 10.3294521129\nN 10.5952906243 10.6282150894 11.4188868085\nO 9.6011221753 10.9369869451 10.7762341355\nO 10.7099258085 10.2467573850 12.5588323984\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 1712.9 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 28.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 1725.2 secs\n\n total energy = -1655.76719418 Ry\n estimated scf accuracy < 0.00546826 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.04E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.826E-02 0.000E+00\n\n total cpu time spent up to now is 1729.3 secs\n\n total energy = -1655.76648033 Ry\n estimated scf accuracy < 0.13599382 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.04E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 1733.4 secs\n\n total energy = -1655.76745510 Ry\n estimated scf accuracy < 0.00291364 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.848E-02 0.000E+00\n\n total cpu time spent up to now is 1737.6 secs\n\n total energy = -1655.76747706 Ry\n estimated scf accuracy < 0.00087802 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.28E-07, avg # of iterations = 8.0\n\n negative rho (up, down): 2.851E-02 0.000E+00\n\n total cpu time spent up to now is 1742.0 secs\n\n total energy = -1655.76758250 Ry\n estimated scf accuracy < 0.00011301 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.22E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.844E-02 0.000E+00\n\n total cpu time spent up to now is 1747.9 secs\n\n total energy = -1655.76779156 Ry\n estimated scf accuracy < 0.00006565 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.45E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 1752.3 secs\n\n total energy = -1655.76779216 Ry\n estimated scf accuracy < 0.00005267 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.97E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 1756.7 secs\n\n total energy = -1655.76779390 Ry\n estimated scf accuracy < 0.00002351 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.77E-09, avg # of iterations = 11.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 1761.5 secs\n\n total energy = -1655.76780308 Ry\n estimated scf accuracy < 0.00001950 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.27E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 1765.9 secs\n\n total energy = -1655.76780338 Ry\n estimated scf accuracy < 0.00001953 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.27E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 1770.2 secs\n\n total energy = -1655.76780432 Ry\n estimated scf accuracy < 0.00000588 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-09, avg # of iterations = 15.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 1775.5 secs\n\n total energy = -1655.76780867 Ry\n estimated scf accuracy < 0.00000244 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.12E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 1780.3 secs\n\n total energy = -1655.76780964 Ry\n estimated scf accuracy < 0.00000146 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.46E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 1784.9 secs\n\n total energy = -1655.76780990 Ry\n estimated scf accuracy < 0.00000127 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.74E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 1789.3 secs\n\n total energy = -1655.76780996 Ry\n estimated scf accuracy < 0.00000019 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.04E-11, avg # of iterations = 14.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 1795.2 secs\n\n total energy = -1655.76781036 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.61E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 1799.9 secs\n\n total energy = -1655.76781034 Ry\n estimated scf accuracy < 0.00000011 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.61E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 1804.2 secs\n\n total energy = -1655.76781032 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.12E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 1808.5 secs\n\n total energy = -1655.76781029 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 1813.1 secs\n\n total energy = -1655.76781027 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.35E-12, avg # of iterations = 15.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 1818.6 secs\n\n total energy = -1655.76781029 Ry\n estimated scf accuracy < 5.6E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.07E-12, avg # of iterations = 15.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 1824.0 secs\n\n total energy = -1655.76781028 Ry\n estimated scf accuracy < 2.9E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 1828.5 secs\n\n total energy = -1655.76781028 Ry\n estimated scf accuracy < 2.6E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.63E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 1832.8 secs\n\n total energy = -1655.76781027 Ry\n estimated scf accuracy < 2.3E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.71E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 1837.1 secs\n\n total energy = -1655.76781026 Ry\n estimated scf accuracy < 8.7E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.26E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 1842.2 secs\n\n total energy = -1655.76781026 Ry\n estimated scf accuracy < 5.5E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.07E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 1845.8 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8296 -32.8259 -32.7830 -32.7811 -32.6676 -32.6421 -32.1671 -32.1081\n -32.0755 -31.9613 -30.6559 -29.6410 -29.2341 -28.9700 -28.9474 -28.9076\n -28.9038 -28.8977 -28.8928 -28.6014 -28.4348 -28.3576 -28.1902 -28.0778\n -27.4581 -26.8319 -25.5641 -24.7778 -24.3484 -24.0169 -22.8276 -21.9724\n -20.6988 -19.2513 -18.6966 -18.1894 -17.8986 -17.5399 -17.3411 -17.2499\n -17.1049 -16.9801 -16.6174 -16.5569 -16.5533 -16.5283 -16.4261 -16.3916\n -15.7439 -15.6937 -15.4786 -15.3272 -15.1511 -15.0785 -15.0397 -14.8649\n -14.7652 -14.6948 -14.6656 -14.5987 -14.4965 -14.4879 -14.4580 -14.4441\n -14.2996 -14.2555 -14.2548 -14.2456 -14.2292 -14.2110 -14.1066 -13.9868\n -13.9680 -13.9549 -13.9271 -13.8880 -13.8417 -13.7799 -13.7292 -13.6871\n -13.6343 -13.6014 -13.1873 -13.0686 -12.7253 -12.4442 -12.1223 -12.0607\n -11.8002 -11.4599 -11.4139 -11.3128 -10.9540 -10.7658 -10.4651 -10.0174\n -9.9204 -9.7913 -9.7784 -9.6833 -9.6597 -9.6370 -9.6306 -9.5391\n -9.4999 -9.3906 -9.3720 -9.3397 -9.3343 -9.1930 -9.1593 -9.1344\n -9.0620 -8.9861 -8.9682 -8.8870 -8.8187 -8.8105 -8.6659 -8.5972\n -8.4956 -8.2642 -8.1112 -8.0667 -7.7119 -7.5910 -7.3157 -7.1871\n -7.0133 -6.8495 -6.4178 -6.3494 -6.2959 -6.0880 -6.0787 -5.8478\n -5.5660 -4.9177 -4.7927 -4.7257 -4.4461 -4.2407 -4.1490 -4.0331\n -3.9984 -3.9115 -3.8597 -3.7100 -3.6747 -3.6680 -3.6025 -3.5156\n -3.3950 -3.2267 -3.0757 -2.8088 -2.3705 -2.3123 -0.7865 -0.4050\n -0.1579\n\n the Fermi energy is -6.0833 ev\n\n! total energy = -1655.76781023 Ry\n total all-electron energy = -6224.600158 Ry\n estimated scf accuracy < 3.8E-10 Ry\n smearing contrib. (-TS) = -0.00561601 Ry\n internal energy E=F+TS = -1655.76219422 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18309.93932121 Ry\n hartree contribution = 9187.95172379 Ry\n xc contribution = -312.76506280 Ry\n ewald contribution = 8206.96334631 Ry\n DFT-D3 Dispersion = -0.16281291 Ry\n one-center paw contrib. = -427.81006740 Ry\n\n convergence has been achieved in 27 iterations\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00000393 -0.00015584 -0.00031808\n atom 2 type 1 force = -0.00013528 -0.00026774 -0.00199046\n atom 3 type 2 force = 0.00411188 -0.00260976 -0.00066340\n atom 4 type 2 force = -0.00002370 -0.00043310 0.00000448\n atom 5 type 1 force = -0.00320956 -0.00075795 -0.00135986\n atom 6 type 1 force = 0.00214269 0.00125370 0.00115069\n atom 7 type 2 force = -0.00170827 -0.00188363 -0.00027703\n atom 8 type 2 force = 0.00191158 0.00039178 0.00098215\n atom 9 type 1 force = -0.00303642 -0.00289333 -0.00124401\n atom 10 type 1 force = 0.00072296 0.00122172 -0.00036651\n atom 11 type 2 force = 0.00089304 -0.00103631 0.00145999\n atom 12 type 2 force = -0.00089671 -0.00007449 0.00113911\n atom 13 type 1 force = -0.00022369 -0.00041453 -0.00361040\n atom 14 type 1 force = 0.00048430 0.00048634 0.00015256\n atom 15 type 1 force = 0.00072347 -0.00019539 -0.00304443\n atom 16 type 2 force = 0.00021612 0.00188441 -0.00012186\n atom 17 type 2 force = -0.00128606 -0.00083670 0.00147886\n atom 18 type 1 force = -0.00011415 0.00075373 0.00195573\n atom 19 type 1 force = 0.00135536 -0.00100012 0.00168658\n atom 20 type 2 force = 0.00039033 -0.00009162 0.00156253\n atom 21 type 2 force = -0.00015067 0.00168576 -0.00128487\n atom 22 type 3 force = 0.00040597 0.00003517 0.00095308\n atom 23 type 1 force = 0.00170671 0.00143032 -0.00148852\n atom 24 type 1 force = -0.00065959 -0.00089264 0.00089316\n atom 25 type 1 force = 0.00020012 0.00063332 -0.00005406\n atom 26 type 1 force = 0.00073203 -0.00013007 -0.00143848\n atom 27 type 1 force = 0.00033148 0.00420105 -0.00116273\n atom 28 type 1 force = -0.00028329 -0.00056013 0.00035687\n atom 29 type 3 force = 0.00089236 0.00040440 0.00122183\n atom 30 type 1 force = -0.00053244 -0.00122156 0.00181002\n atom 31 type 1 force = -0.00393429 -0.00092555 -0.00225107\n atom 32 type 2 force = -0.00100588 0.00064863 -0.00124654\n atom 33 type 2 force = -0.00071260 0.00188078 0.00266359\n atom 34 type 1 force = 0.00060328 0.00390316 -0.00390154\n atom 35 type 1 force = 0.00268326 0.00071637 0.00247150\n atom 36 type 2 force = -0.00326924 -0.00193206 -0.00279061\n atom 37 type 2 force = -0.00064513 -0.00036404 0.00232596\n atom 38 type 1 force = 0.00032439 -0.00100547 -0.00000254\n atom 39 type 1 force = 0.00021287 -0.00117904 0.00202010\n atom 40 type 1 force = -0.00200104 -0.00190948 0.00032785\n atom 41 type 2 force = 0.00110091 0.00092563 -0.00061259\n atom 42 type 2 force = 0.00136846 0.00052581 -0.00138393\n atom 43 type 1 force = 0.00130867 -0.00059180 0.00230958\n atom 44 type 1 force = 0.00158199 -0.00239522 0.00314305\n atom 45 type 2 force = -0.00059428 0.00205305 -0.00220968\n atom 46 type 2 force = 0.00088502 0.00015449 -0.00105063\n atom 47 type 1 force = 0.00193980 -0.00049924 -0.00073760\n atom 48 type 1 force = -0.00215722 0.00207526 -0.00003425\n atom 49 type 2 force = -0.00076054 -0.00014941 0.00246387\n atom 50 type 2 force = -0.00188504 -0.00085865 0.00011250\n\n Total force = 0.019170 Total SCF correction = 0.000052\n Energy error = 5.4E-04 Ry\n Gradient error = 4.2E-03 Ry/Bohr\n\n number of scf cycles = 62\n number of bfgs steps = 61\n\n energy old = -1655.7672652696 Ry\n energy new = -1655.7678102304 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0395300809 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8148867093 9.7699977137 9.3009291891\nN 10.5849494528 9.9317858560 8.1509460265\nO 9.5953578567 9.3191867292 8.5231071748\nO 10.6946339855 10.8662591805 7.3896530425\nN 13.1511648344 8.5042057860 9.2237813235\nN 12.3070401542 7.0868762915 10.4842579091\nO 12.2748895547 7.4606660128 11.6325286434\nO 12.0322340635 6.0696461962 9.9107380001\nN 14.4034070432 8.0659863665 9.6712337240\nN 15.1796682636 8.4338122578 6.7794733987\nO 14.6960590889 9.4826556384 6.4034560857\nO 15.9161737105 7.6272236787 6.2549940869\nN 15.1228022980 8.8520516123 10.3640592362\nN 16.4231659711 8.4773476551 10.3321174737\nN 16.6003537978 6.5686851196 10.0211068409\nO 17.3466488498 6.3036091870 9.1211169865\nO 15.9410228743 5.9259201507 10.7952878005\nN 17.2458297539 9.0728408144 11.1779027566\nN 17.4384201855 8.2590200113 12.8382266202\nO 17.8405509161 7.1203277967 12.7590406037\nO 17.0813269725 8.9404425889 13.7630198493\nC 18.4775152951 9.3917238951 10.5862923038\nN 19.5468967698 8.5101049773 9.8605728384\nN 19.5534829987 9.5749192754 8.6873364153\nN 20.6343607630 10.3668062341 9.4511321603\nN 19.5650805504 11.2270513992 10.1654175839\nN 19.5419140673 10.1630942131 11.3340135003\nN 20.6244991693 9.3575618365 10.5862047954\nC 18.4959942232 10.3807892623 9.4185662976\nN 17.3127927538 10.8132406033 8.7922402472\nN 17.5741811808 11.3941083198 7.1209292010\nO 17.3764956283 12.5797273031 7.0059339095\nO 17.8223839578 10.5125957147 6.3377379423\nN 16.5094860099 11.5234034545 9.5718824069\nN 16.9163716628 13.4142070134 9.9477552968\nO 16.3146207191 14.2041951528 9.2729452430\nO 17.7320458759 13.5067839185 10.8228465481\nN 15.1829937413 11.2884628755 9.4586283232\nN 14.4749315610 12.1471917379 10.0735495782\nN 15.2197343937 11.6246307383 12.9404862548\nO 16.0508906758 12.3092302501 13.4960048743\nO 14.3632114578 10.8660726902 13.3407158537\nN 13.1535914003 11.8150922956 10.4175678488\nN 12.4800845170 13.2908429750 9.0423806281\nO 12.5895093536 12.9557183980 7.8899202465\nO 12.1424481745 14.2908385081 9.6151312262\nN 12.7521902789 10.5646671547 10.3351939933\nN 10.5943907357 10.6230404816 11.4188249776\nO 9.6008982656 10.9280272370 10.7742471551\nO 10.7091105268 10.2430037001 12.5593673111\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 1856.1 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 4 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 1867.0 secs\n\n total energy = -1655.76695127 Ry\n estimated scf accuracy < 0.00854522 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.19E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.841E-02 0.000E+00\n\n total cpu time spent up to now is 1871.1 secs\n\n total energy = -1655.76459312 Ry\n estimated scf accuracy < 0.46621175 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.19E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.863E-02 0.000E+00\n\n total cpu time spent up to now is 1875.2 secs\n\n total energy = -1655.76791921 Ry\n estimated scf accuracy < 0.00068067 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.54E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.860E-02 0.000E+00\n\n total cpu time spent up to now is 1879.8 secs\n\n total energy = -1655.76806953 Ry\n estimated scf accuracy < 0.00174528 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.54E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.856E-02 0.000E+00\n\n total cpu time spent up to now is 1884.0 secs\n\n total energy = -1655.76812243 Ry\n estimated scf accuracy < 0.00005686 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.12E-08, avg # of iterations = 14.0\n\n negative rho (up, down): 2.850E-02 0.000E+00\n\n total cpu time spent up to now is 1890.4 secs\n\n total energy = -1655.76829878 Ry\n estimated scf accuracy < 0.00006524 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.12E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.839E-02 0.000E+00\n\n total cpu time spent up to now is 1894.7 secs\n\n total energy = -1655.76829645 Ry\n estimated scf accuracy < 0.00003371 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.26E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 1899.0 secs\n\n total energy = -1655.76829543 Ry\n estimated scf accuracy < 0.00001682 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.28E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 1903.6 secs\n\n total energy = -1655.76829864 Ry\n estimated scf accuracy < 0.00000348 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.30E-09, avg # of iterations = 15.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 1909.6 secs\n\n total energy = -1655.76830518 Ry\n estimated scf accuracy < 0.00000494 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.30E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 1913.9 secs\n\n total energy = -1655.76830508 Ry\n estimated scf accuracy < 0.00000591 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.30E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 1918.1 secs\n\n total energy = -1655.76830533 Ry\n estimated scf accuracy < 0.00000070 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.62E-10, avg # of iterations = 14.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 1923.4 secs\n\n total energy = -1655.76830598 Ry\n estimated scf accuracy < 0.00000050 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.86E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 1927.7 secs\n\n total energy = -1655.76830604 Ry\n estimated scf accuracy < 0.00000035 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.30E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 1932.0 secs\n\n total energy = -1655.76830606 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.75E-11, avg # of iterations = 15.0\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 1937.3 secs\n\n total energy = -1655.76830613 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.95E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 1942.2 secs\n\n total energy = -1655.76830610 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.86E-12, avg # of iterations = 13.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 1947.3 secs\n\n total energy = -1655.76830609 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.05E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 1951.9 secs\n\n total energy = -1655.76830606 Ry\n estimated scf accuracy < 8.8E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.29E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 1956.5 secs\n\n total energy = -1655.76830603 Ry\n estimated scf accuracy < 5.6E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.08E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 1961.1 secs\n\n total energy = -1655.76830602 Ry\n estimated scf accuracy < 7.2E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.08E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 1965.5 secs\n\n total energy = -1655.76830597 Ry\n estimated scf accuracy < 3.4E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.26E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 1970.1 secs\n\n total energy = -1655.76830594 Ry\n estimated scf accuracy < 7.0E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.26E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 1974.4 secs\n\n total energy = -1655.76830591 Ry\n estimated scf accuracy < 2.1E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.75E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 1979.1 secs\n\n total energy = -1655.76830592 Ry\n estimated scf accuracy < 9.3E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.46E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 1984.2 secs\n\n total energy = -1655.76830592 Ry\n estimated scf accuracy < 4.9E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.84E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 1987.8 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8402 -32.8381 -32.7896 -32.7844 -32.6730 -32.6364 -32.1624 -32.1264\n -32.0813 -31.9660 -30.6532 -29.6432 -29.2289 -28.9991 -28.9545 -28.9151\n -28.9097 -28.8972 -28.8794 -28.6037 -28.4176 -28.3700 -28.1990 -28.0837\n -27.4550 -26.8264 -25.5484 -24.7733 -24.3425 -24.0147 -22.8296 -21.9588\n -20.6927 -19.2462 -18.6849 -18.1782 -17.9164 -17.5351 -17.3528 -17.2578\n -17.1031 -16.9842 -16.6157 -16.5570 -16.5433 -16.5263 -16.4254 -16.3871\n -15.7398 -15.6946 -15.4908 -15.3327 -15.1511 -15.0807 -15.0381 -14.8682\n -14.7676 -14.7002 -14.6728 -14.6117 -14.5009 -14.4908 -14.4565 -14.4386\n -14.2969 -14.2688 -14.2594 -14.2487 -14.2306 -14.2126 -14.1130 -13.9741\n -13.9601 -13.9584 -13.9372 -13.8905 -13.8455 -13.7815 -13.7302 -13.6842\n -13.6387 -13.6057 -13.1976 -13.0695 -12.7180 -12.4435 -12.1222 -12.0521\n -11.7934 -11.4605 -11.4130 -11.3090 -10.9483 -10.7616 -10.4589 -10.0132\n -9.9233 -9.7895 -9.7767 -9.6779 -9.6595 -9.6391 -9.6326 -9.5427\n -9.5094 -9.3810 -9.3721 -9.3431 -9.3342 -9.1974 -9.1630 -9.1380\n -9.0637 -8.9951 -8.9709 -8.8779 -8.8135 -8.8094 -8.6665 -8.6009\n -8.4992 -8.2767 -8.1093 -8.0677 -7.7135 -7.5904 -7.3143 -7.1882\n -7.0028 -6.8508 -6.4181 -6.3500 -6.2920 -6.0895 -6.0797 -5.8549\n -5.5594 -4.9163 -4.7856 -4.7321 -4.4337 -4.2265 -4.1436 -4.0479\n -4.0018 -3.9137 -3.8650 -3.7108 -3.6704 -3.6562 -3.5943 -3.5139\n -3.3947 -3.2156 -3.0745 -2.8069 -2.3706 -2.2994 -0.7757 -0.4045\n -0.1583\n\n the Fermi energy is -6.0846 ev\n\n! total energy = -1655.76830590 Ry\n total all-electron energy = -6224.600654 Ry\n estimated scf accuracy < 2.3E-10 Ry\n smearing contrib. (-TS) = -0.00561285 Ry\n internal energy E=F+TS = -1655.76269305 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18320.70524929 Ry\n hartree contribution = 9193.33099270 Ry\n xc contribution = -312.77158665 Ry\n ewald contribution = 8212.35638067 Ry\n DFT-D3 Dispersion = -0.16308053 Ry\n one-center paw contrib. = -427.81014994 Ry\n\n convergence has been achieved in 27 iterations\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00109628 -0.00051128 -0.00099226\n atom 2 type 1 force = 0.00038779 -0.00057534 -0.00111593\n atom 3 type 2 force = 0.00358019 -0.00271984 -0.00116411\n atom 4 type 2 force = 0.00099514 0.00000340 -0.00066379\n atom 5 type 1 force = -0.00241328 -0.00058704 -0.00032670\n atom 6 type 1 force = 0.00158511 0.00218424 0.00119351\n atom 7 type 2 force = -0.00176640 -0.00234893 -0.00024870\n atom 8 type 2 force = 0.00149969 -0.00015373 0.00104938\n atom 9 type 1 force = -0.00066893 -0.00264682 -0.00124481\n atom 10 type 1 force = 0.00088728 0.00028335 0.00028121\n atom 11 type 2 force = -0.00018326 0.00105252 0.00107018\n atom 12 type 2 force = 0.00003501 -0.00128077 0.00080585\n atom 13 type 1 force = -0.00176870 -0.00231101 -0.00399986\n atom 14 type 1 force = -0.00095994 0.00211019 0.00093377\n atom 15 type 1 force = -0.00029753 0.00096786 -0.00063457\n atom 16 type 2 force = -0.00005309 0.00055255 -0.00010294\n atom 17 type 2 force = 0.00034090 -0.00104593 -0.00046292\n atom 18 type 1 force = 0.00280920 0.00019661 0.00051263\n atom 19 type 1 force = -0.00008879 -0.00258084 0.00199718\n atom 20 type 2 force = 0.00095235 -0.00016624 0.00011493\n atom 21 type 2 force = -0.00030587 0.00351250 -0.00019082\n atom 22 type 3 force = 0.00110181 -0.00057865 0.00067286\n atom 23 type 1 force = 0.00046776 0.00243383 -0.00140240\n atom 24 type 1 force = -0.00078185 -0.00172447 0.00112367\n atom 25 type 1 force = -0.00057245 0.00117691 -0.00089192\n atom 26 type 1 force = 0.00026192 0.00045762 -0.00144312\n atom 27 type 1 force = 0.00035514 0.00279133 0.00042420\n atom 28 type 1 force = -0.00022503 -0.00002736 -0.00017734\n atom 29 type 3 force = 0.00130085 0.00047650 0.00144762\n atom 30 type 1 force = 0.00181086 -0.00241415 0.00172080\n atom 31 type 1 force = -0.00451807 -0.00450994 -0.00216403\n atom 32 type 2 force = -0.00121021 0.00363792 -0.00125125\n atom 33 type 2 force = -0.00010297 0.00199062 0.00209107\n atom 34 type 1 force = -0.00014065 0.00390353 -0.00409713\n atom 35 type 1 force = 0.00221570 0.00033837 0.00305671\n atom 36 type 2 force = -0.00309586 -0.00226495 -0.00247827\n atom 37 type 2 force = -0.00039278 0.00026365 0.00212201\n atom 38 type 1 force = -0.00015202 0.00142909 0.00009575\n atom 39 type 1 force = 0.00075767 -0.00042344 0.00125101\n atom 40 type 1 force = -0.00081411 -0.00090896 0.00180925\n atom 41 type 2 force = 0.00156200 0.00135808 -0.00151166\n atom 42 type 2 force = -0.00027004 -0.00087982 -0.00186546\n atom 43 type 1 force = 0.00202573 -0.00179618 0.00286301\n atom 44 type 1 force = 0.00183108 -0.00250901 0.00141623\n atom 45 type 2 force = -0.00076093 0.00265462 -0.00009326\n atom 46 type 2 force = 0.00084622 -0.00011242 -0.00146107\n atom 47 type 1 force = 0.00087545 0.00020146 -0.00099773\n atom 48 type 1 force = -0.00127538 0.00125533 0.00070247\n atom 49 type 2 force = -0.00216162 0.00038968 0.00234658\n atom 50 type 2 force = -0.00240879 -0.00054457 -0.00011981\n\n Total force = 0.020018 Total SCF correction = 0.000029\n Energy error = 5.0E-04 Ry\n Gradient error = 4.5E-03 Ry/Bohr\n\n number of scf cycles = 63\n number of bfgs steps = 62\n\n energy old = -1655.7678102304 Ry\n energy new = -1655.7683058990 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0853629649 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8215631626 9.7651825210 9.3040377250\nN 10.5817615268 9.9237256435 8.1567315599\nO 9.5952590434 9.3075562796 8.5315358063\nO 10.6879985070 10.8647082668 7.4020822083\nN 13.1535014978 8.4975384440 9.2205647497\nN 12.3259750588 7.0836007971 10.4885899775\nO 12.2857648365 7.4642765694 11.6334508259\nO 12.0590261971 6.0609002523 9.9209656031\nN 14.4088433496 8.0620493569 9.6667295558\nN 15.1926771653 8.4355548781 6.7887028269\nO 14.6968304410 9.4764532568 6.4053431945\nO 15.9131377425 7.6181664045 6.2577204001\nN 15.1253611743 8.8505241464 10.3576343342\nN 16.4284404325 8.4851138434 10.3294414454\nN 16.6153680458 6.5765043494 10.0080666233\nO 17.3593559032 6.3217451257 9.1041596200\nO 15.9596023645 5.9318218605 10.7832768844\nN 17.2440655478 9.0911227049 11.1787814776\nN 17.4524407255 8.2731949831 12.8388199239\nO 17.8551275394 7.1341453252 12.7596437383\nO 17.0955420171 8.9539675265 13.7646485583\nC 18.4743139107 9.4108437340 10.5857345013\nN 19.5459005827 8.5222272400 9.8687341691\nN 19.5518343359 9.5738749931 8.6845398820\nN 20.6324419403 10.3728865249 9.4414023008\nN 19.5645356074 11.2411676806 10.1431527804\nN 19.5393192835 10.1947649734 11.3238839296\nN 20.6210782653 9.3758800742 10.5885381841\nC 18.4934557930 10.3885031021 9.4087320766\nN 17.3070136986 10.8180630244 8.7853524666\nN 17.5553369811 11.3968222153 7.1223393315\nO 17.3321976578 12.5787994432 6.9971389832\nO 17.8223543998 10.5133703155 6.3473073904\nN 16.5024452647 11.5247975729 9.5676684377\nN 16.9048193564 13.4107104694 9.9511663537\nO 16.3112347118 14.2018961567 9.2712570995\nO 17.7102676608 13.4946554315 10.8358727618\nN 15.1768729849 11.2778094923 9.4630776067\nN 14.4688750044 12.1346895597 10.0804379690\nN 15.2260445968 11.6194705057 12.9353975608\nO 16.0559802823 12.3127906958 13.4828775812\nO 14.3676045236 10.8689528408 13.3466956340\nN 13.1495777194 11.8053870947 10.4255452424\nN 12.4701458940 13.2709860120 9.0488384904\nO 12.5777470058 12.9413916638 7.8941362857\nO 12.1338866763 14.2710655156 9.6221706112\nN 12.7549350105 10.5505953885 10.3429236405\nN 10.5914060694 10.6116914799 11.4204116912\nO 9.5980934999 10.9090557181 10.7728897949\nO 10.7053320479 10.2346768054 12.5616519383\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.773E-02 0.000E+00\n\n total cpu time spent up to now is 1997.9 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 34.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 2012.2 secs\n\n total energy = -1655.76856978 Ry\n estimated scf accuracy < 0.00589194 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.20E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2016.3 secs\n\n total energy = -1655.76843200 Ry\n estimated scf accuracy < 0.00343014 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.28E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 2020.5 secs\n\n total energy = -1655.76796806 Ry\n estimated scf accuracy < 0.07284650 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.28E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 2024.6 secs\n\n total energy = -1655.76851469 Ry\n estimated scf accuracy < 0.00239034 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.92E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 2028.8 secs\n\n total energy = -1655.76863655 Ry\n estimated scf accuracy < 0.00013919 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.19E-08, avg # of iterations = 14.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 2035.0 secs\n\n total energy = -1655.76895074 Ry\n estimated scf accuracy < 0.00015534 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.19E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 2039.3 secs\n\n total energy = -1655.76892061 Ry\n estimated scf accuracy < 0.00010038 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.75E-08, avg # of iterations = 3.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 2043.7 secs\n\n total energy = -1655.76893695 Ry\n estimated scf accuracy < 0.00000932 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.48E-09, avg # of iterations = 16.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 2049.8 secs\n\n total energy = -1655.76895519 Ry\n estimated scf accuracy < 0.00000687 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.56E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 2054.1 secs\n\n total energy = -1655.76895435 Ry\n estimated scf accuracy < 0.00000623 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.32E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 2058.7 secs\n\n total energy = -1655.76895530 Ry\n estimated scf accuracy < 0.00000220 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.20E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 2063.7 secs\n\n total energy = -1655.76895646 Ry\n estimated scf accuracy < 0.00000113 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.23E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 2068.3 secs\n\n total energy = -1655.76895674 Ry\n estimated scf accuracy < 0.00000039 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-10, avg # of iterations = 14.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 2073.6 secs\n\n total energy = -1655.76895703 Ry\n estimated scf accuracy < 0.00000076 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 2077.9 secs\n\n total energy = -1655.76895707 Ry\n estimated scf accuracy < 0.00000011 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.24E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 2083.2 secs\n\n total energy = -1655.76895715 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.96E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 2087.6 secs\n\n total energy = -1655.76895716 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.15E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2092.2 secs\n\n total energy = -1655.76895717 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.15E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2096.9 secs\n\n total energy = -1655.76895718 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.31E-12, avg # of iterations = 15.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2102.5 secs\n\n total energy = -1655.76895720 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.87E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2107.0 secs\n\n total energy = -1655.76895720 Ry\n estimated scf accuracy < 8.0E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.98E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2111.4 secs\n\n total energy = -1655.76895721 Ry\n estimated scf accuracy < 3.2E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.21E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2116.5 secs\n\n total energy = -1655.76895721 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.41E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2121.3 secs\n\n total energy = -1655.76895721 Ry\n estimated scf accuracy < 5.1E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.92E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 2125.6 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8612 -32.8423 -32.7967 -32.7745 -32.6827 -32.6237 -32.1527 -32.1129\n -32.0910 -31.9595 -30.6575 -29.6521 -29.2299 -29.0437 -28.9964 -28.9195\n -28.8920 -28.8722 -28.8637 -28.6031 -28.4048 -28.3560 -28.2068 -28.0873\n -27.4490 -26.8284 -25.5389 -24.7775 -24.3461 -24.0149 -22.8299 -21.9527\n -20.6962 -19.2422 -18.6764 -18.1700 -17.9432 -17.5291 -17.3608 -17.2821\n -17.1022 -16.9820 -16.6104 -16.5558 -16.5400 -16.5230 -16.4268 -16.3831\n -15.7400 -15.7026 -15.5111 -15.3444 -15.1613 -15.0800 -15.0415 -14.8708\n -14.7726 -14.7046 -14.6850 -14.6296 -14.5072 -14.4924 -14.4449 -14.4339\n -14.3149 -14.2755 -14.2685 -14.2583 -14.2167 -14.2098 -14.1187 -13.9675\n -13.9527 -13.9505 -13.9262 -13.8923 -13.8475 -13.7803 -13.7283 -13.6787\n -13.6343 -13.5996 -13.2157 -13.0716 -12.7115 -12.4399 -12.1260 -12.0500\n -11.7859 -11.4677 -11.4099 -11.3166 -10.9415 -10.7638 -10.4476 -10.0127\n -9.9289 -9.7922 -9.7791 -9.6719 -9.6551 -9.6376 -9.6208 -9.5581\n -9.5235 -9.3750 -9.3661 -9.3472 -9.3369 -9.2101 -9.1730 -9.1377\n -9.0541 -9.0062 -8.9697 -8.8788 -8.8111 -8.8042 -8.6670 -8.6019\n -8.5037 -8.2892 -8.1111 -8.0736 -7.7217 -7.5918 -7.3147 -7.1913\n -6.9915 -6.8548 -6.4198 -6.3510 -6.2907 -6.0914 -6.0811 -5.8631\n -5.5509 -4.9091 -4.7751 -4.7456 -4.4191 -4.2221 -4.1472 -4.0625\n -4.0178 -3.9123 -3.8572 -3.7102 -3.6698 -3.6539 -3.5857 -3.5139\n -3.3978 -3.1975 -3.0688 -2.8082 -2.3709 -2.2837 -0.7537 -0.4045\n -0.1588\n\n the Fermi energy is -6.0862 ev\n\n! total energy = -1655.76895721 Ry\n total all-electron energy = -6224.601305 Ry\n estimated scf accuracy < 3.3E-10 Ry\n smearing contrib. (-TS) = -0.00560992 Ry\n internal energy E=F+TS = -1655.76334730 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18334.91052944 Ry\n hartree contribution = 9200.42270746 Ry\n xc contribution = -312.77403600 Ry\n ewald contribution = 8219.47216064 Ry\n DFT-D3 Dispersion = -0.16346975 Ry\n one-center paw contrib. = -427.81018021 Ry\n\n convergence has been achieved in 25 iterations\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00214860 -0.00135740 -0.00183586\n atom 2 type 1 force = 0.00109743 0.00038971 -0.00114048\n atom 3 type 2 force = 0.00276178 -0.00204601 -0.00247636\n atom 4 type 2 force = 0.00162535 -0.00175243 0.00018296\n atom 5 type 1 force = -0.00164192 -0.00031375 0.00060860\n atom 6 type 1 force = 0.00012853 0.00144517 -0.00046592\n atom 7 type 2 force = -0.00160346 -0.00151831 0.00197064\n atom 8 type 2 force = 0.00126583 -0.00044709 0.00068936\n atom 9 type 1 force = 0.00049484 -0.00327303 -0.00253084\n atom 10 type 1 force = 0.00107021 0.00025102 -0.00055567\n atom 11 type 2 force = 0.00019111 0.00039353 0.00138346\n atom 12 type 2 force = -0.00049409 -0.00066024 0.00125429\n atom 13 type 1 force = -0.00063902 -0.00172239 -0.00200893\n atom 14 type 1 force = -0.00123742 0.00323055 0.00204713\n atom 15 type 1 force = -0.00074087 0.00348612 0.00118402\n atom 16 type 2 force = -0.00011654 -0.00101669 -0.00030153\n atom 17 type 2 force = 0.00128774 -0.00237787 -0.00146836\n atom 18 type 1 force = 0.00196759 -0.00198626 -0.00144666\n atom 19 type 1 force = -0.00170299 -0.00316995 0.00303437\n atom 20 type 2 force = 0.00064218 0.00135804 -0.00054328\n atom 21 type 2 force = 0.00041853 0.00299226 -0.00052546\n atom 22 type 3 force = 0.00279877 0.00015981 -0.00009228\n atom 23 type 1 force = -0.00120796 0.00265086 -0.00015193\n atom 24 type 1 force = -0.00124148 -0.00155638 0.00142854\n atom 25 type 1 force = -0.00082479 0.00132472 -0.00177626\n atom 26 type 1 force = -0.00094912 0.00079809 -0.00107498\n atom 27 type 1 force = 0.00015702 0.00010379 0.00191022\n atom 28 type 1 force = -0.00013266 0.00154121 -0.00144920\n atom 29 type 3 force = 0.00149219 0.00010645 0.00124971\n atom 30 type 1 force = 0.00208884 -0.00150337 0.00093353\n atom 31 type 1 force = -0.00550284 -0.00191284 -0.00202981\n atom 32 type 2 force = -0.00022310 -0.00149792 -0.00069227\n atom 33 type 2 force = 0.00029439 0.00306447 0.00069662\n atom 34 type 1 force = -0.00029948 0.00262150 -0.00404715\n atom 35 type 1 force = 0.00095389 -0.00191363 0.00270735\n atom 36 type 2 force = -0.00246255 -0.00156144 -0.00163661\n atom 37 type 2 force = 0.00007974 0.00180316 0.00212125\n atom 38 type 1 force = 0.00104508 0.00374347 -0.00036776\n atom 39 type 1 force = 0.00115597 0.00139927 0.00097778\n atom 40 type 1 force = -0.00028123 -0.00034594 0.00307499\n atom 41 type 2 force = 0.00100333 0.00085968 -0.00221223\n atom 42 type 2 force = -0.00025140 -0.00095089 -0.00227524\n atom 43 type 1 force = 0.00219146 -0.00300426 0.00309279\n atom 44 type 1 force = 0.00161412 -0.00130884 -0.00060917\n atom 45 type 2 force = -0.00016157 0.00163604 0.00090446\n atom 46 type 2 force = 0.00068933 0.00038988 -0.00027652\n atom 47 type 1 force = -0.00060335 0.00024008 -0.00087616\n atom 48 type 1 force = -0.00040176 0.00050153 0.00044405\n atom 49 type 2 force = -0.00191906 0.00130929 0.00189291\n atom 50 type 2 force = -0.00172797 -0.00060272 0.00107792\n\n Total force = 0.020320 Total SCF correction = 0.000041\n Energy error = 6.5E-04 Ry\n Gradient error = 5.5E-03 Ry/Bohr\n\n number of scf cycles = 64\n number of bfgs steps = 63\n\n energy old = -1655.7683058990 Ry\n energy new = -1655.7689572139 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0672325364 bohr\n new conv_thr = 0.0000000006 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8279198710 9.7618704216 9.3048698126\nN 10.5786486741 9.9184340632 8.1589631026\nO 9.5965234767 9.2979052410 8.5376462615\nO 10.6808622274 10.8615486973 7.4081764467\nN 13.1541887479 8.4926303950 9.2160350692\nN 12.3440639241 7.0824445136 10.4908631395\nO 12.2940691243 7.4685819120 11.6341970709\nO 12.0910301649 6.0517924321 9.9303767644\nN 14.4132435328 8.0554008343 9.6582677714\nN 15.2059591116 8.4404012452 6.8007226110\nO 14.6981877419 9.4734602370 6.4119361656\nO 15.9076164010 7.6103989852 6.2634384994\nN 15.1283301243 8.8466579867 10.3493227083\nN 16.4325668058 8.4921897934 10.3267701332\nN 16.6236858812 6.5833493107 9.9959387650\nO 17.3673945531 6.3350450819 9.0903833690\nO 15.9722964839 5.9338923469 10.7729784099\nN 17.2426675395 9.1031366105 11.1784260071\nN 17.4615334103 8.2837672486 12.8424004568\nO 17.8673989184 7.1466591862 12.7646080286\nO 17.1042851823 8.9686784240 13.7646183565\nC 18.4731558774 9.4267206159 10.5856849262\nN 19.5451950361 8.5336567318 9.8765197652\nN 19.5490396454 9.5713523875 8.6836038120\nN 20.6296288965 10.3789728508 9.4313758742\nN 19.5629124475 11.2533144457 10.1238501468\nN 19.5373875169 10.2214981311 11.3163709463\nN 20.6183009096 9.3930512398 10.5892393753\nC 18.4915354852 10.3946801711 9.4012028236\nN 17.3019453728 10.8215464953 8.7798975586\nN 17.5315319696 11.3997373336 7.1238821752\nO 17.2976814056 12.5756869629 6.9890935109\nO 17.8176172400 10.5140011366 6.3563987291\nN 16.4965260125 11.5277724666 9.5621585941\nN 16.8950377445 13.4073441981 9.9544032871\nO 16.3086073480 14.1977564776 9.2651410138\nO 17.6897246345 13.4875667374 10.8492462186\nN 15.1736846761 11.2704945060 9.4688324109\nN 14.4662351461 12.1243144328 10.0912409093\nN 15.2307833507 11.6134413710 12.9298781842\nO 16.0592381554 12.3161101217 13.4681848670\nO 14.3724636575 10.8678348477 13.3468372833\nN 13.1489040785 11.7955474778 10.4365454215\nN 12.4661222810 13.2547985777 9.0550941118\nO 12.5713010163 12.9312273902 7.8989930962\nO 12.1337670439 14.2551234696 9.6284742065\nN 12.7589207070 10.5388077594 10.3495330196\nN 10.5880316848 10.6019463776 11.4214556525\nO 9.5947186179 10.8948703748 10.7722611901\nO 10.7002231898 10.2282582042 12.5644636739\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.777E-02 0.000E+00\n\n total cpu time spent up to now is 2135.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 32.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 2149.3 secs\n\n total energy = -1655.76786191 Ry\n estimated scf accuracy < 0.01459302 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.45E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 2153.4 secs\n\n total energy = -1655.76544453 Ry\n estimated scf accuracy < 0.54825803 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.45E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 2157.6 secs\n\n total energy = -1655.76910295 Ry\n estimated scf accuracy < 0.00190870 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.12E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.843E-02 0.000E+00\n\n total cpu time spent up to now is 2161.7 secs\n\n total energy = -1655.76913887 Ry\n estimated scf accuracy < 0.00222500 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.12E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.844E-02 0.000E+00\n\n total cpu time spent up to now is 2166.0 secs\n\n total energy = -1655.76923800 Ry\n estimated scf accuracy < 0.00121519 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.53E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.839E-02 0.000E+00\n\n total cpu time spent up to now is 2170.2 secs\n\n total energy = -1655.76929961 Ry\n estimated scf accuracy < 0.00054744 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.04E-07, avg # of iterations = 8.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 2174.7 secs\n\n total energy = -1655.76935247 Ry\n estimated scf accuracy < 0.00001899 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.09E-09, avg # of iterations = 22.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 2184.3 secs\n\n total energy = -1655.76955237 Ry\n estimated scf accuracy < 0.00017032 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.09E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 2188.6 secs\n\n total energy = -1655.76953495 Ry\n estimated scf accuracy < 0.00029196 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.09E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.827E-02 0.000E+00\n\n total cpu time spent up to now is 2193.0 secs\n\n total energy = -1655.76950499 Ry\n estimated scf accuracy < 0.00050742 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.09E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.827E-02 0.000E+00\n\n total cpu time spent up to now is 2198.2 secs\n\n total energy = -1655.76952382 Ry\n estimated scf accuracy < 0.00037385 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.09E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.826E-02 0.000E+00\n\n total cpu time spent up to now is 2202.7 secs\n\n total energy = -1655.76952707 Ry\n estimated scf accuracy < 0.00000730 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.72E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 2207.5 secs\n\n total energy = -1655.76952946 Ry\n estimated scf accuracy < 0.00000600 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.24E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 2211.9 secs\n\n total energy = -1655.76952960 Ry\n estimated scf accuracy < 0.00000311 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.16E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 2216.5 secs\n\n total energy = -1655.76952985 Ry\n estimated scf accuracy < 0.00000267 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.97E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 2220.8 secs\n\n total energy = -1655.76952942 Ry\n estimated scf accuracy < 0.00000214 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.99E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 2225.4 secs\n\n total energy = -1655.76952964 Ry\n estimated scf accuracy < 0.00000056 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.09E-10, avg # of iterations = 13.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 2230.8 secs\n\n total energy = -1655.76953021 Ry\n estimated scf accuracy < 0.00000027 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.95E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 2235.6 secs\n\n total energy = -1655.76953027 Ry\n estimated scf accuracy < 0.00000030 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.95E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 2240.0 secs\n\n total energy = -1655.76953028 Ry\n estimated scf accuracy < 0.00000018 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.75E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2244.3 secs\n\n total energy = -1655.76953029 Ry\n estimated scf accuracy < 0.00000007 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.63E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2249.4 secs\n\n total energy = -1655.76953035 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.63E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 2253.8 secs\n\n total energy = -1655.76953035 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.96E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 2258.3 secs\n\n total energy = -1655.76953036 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.69E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2262.7 secs\n\n total energy = -1655.76953036 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.51E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2267.0 secs\n\n total energy = -1655.76953036 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.05E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2271.3 secs\n\n total energy = -1655.76953036 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.05E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2275.7 secs\n\n total energy = -1655.76953036 Ry\n estimated scf accuracy < 2.8E-09 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-12, avg # of iterations = 19.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2282.1 secs\n\n total energy = -1655.76953037 Ry\n estimated scf accuracy < 2.7E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-12, avg # of iterations = 1.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2286.4 secs\n\n total energy = -1655.76953036 Ry\n estimated scf accuracy < 1.9E-09 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.19E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2290.9 secs\n\n total energy = -1655.76953036 Ry\n estimated scf accuracy < 2.1E-09 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.19E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2294.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8561 -32.8488 -32.8139 -32.7900 -32.6588 -32.6264 -32.1708 -32.1034\n -32.0800 -31.9770 -30.6789 -29.6557 -29.2327 -29.0357 -29.0136 -28.9083\n -28.8929 -28.8872 -28.8570 -28.6088 -28.4302 -28.3477 -28.1962 -28.1075\n -27.4500 -26.8260 -25.5349 -24.7968 -24.3649 -24.0209 -22.8345 -21.9575\n -20.6988 -19.2352 -18.6814 -18.1723 -17.9725 -17.5266 -17.3573 -17.3109\n -17.1037 -16.9724 -16.6044 -16.5517 -16.5457 -16.5194 -16.4258 -16.3808\n -15.7509 -15.7147 -15.5185 -15.3595 -15.1806 -15.0930 -15.0495 -14.8793\n -14.7664 -14.7155 -14.6877 -14.6310 -14.5127 -14.4874 -14.4445 -14.4389\n -14.3163 -14.2901 -14.2847 -14.2407 -14.2135 -14.1995 -14.1161 -13.9800\n -13.9655 -13.9457 -13.9183 -13.8840 -13.8400 -13.7833 -13.7341 -13.6892\n -13.6367 -13.5978 -13.2230 -13.0691 -12.7111 -12.4370 -12.1313 -12.0452\n -11.7842 -11.4781 -11.4118 -11.3309 -10.9391 -10.7698 -10.4437 -10.0165\n -9.9308 -9.7957 -9.7847 -9.6723 -9.6577 -9.6257 -9.6079 -9.5697\n -9.5297 -9.3839 -9.3645 -9.3493 -9.3440 -9.2300 -9.1805 -9.1212\n -9.0427 -9.0098 -8.9654 -8.8916 -8.8224 -8.8004 -8.6647 -8.5950\n -8.5108 -8.2905 -8.1113 -8.0793 -7.7294 -7.5964 -7.3143 -7.1991\n -6.9785 -6.8635 -6.4198 -6.3482 -6.2954 -6.0867 -6.0755 -5.8668\n -5.5428 -4.9016 -4.7648 -4.7529 -4.3966 -4.2242 -4.1498 -4.0670\n -4.0439 -3.9053 -3.8364 -3.7048 -3.6652 -3.6583 -3.5840 -3.5090\n -3.4022 -3.1838 -3.0672 -2.8171 -2.3707 -2.2681 -0.7395 -0.4038\n -0.1590\n\n the Fermi energy is -6.0811 ev\n\n! total energy = -1655.76953036 Ry\n total all-electron energy = -6224.601878 Ry\n estimated scf accuracy < 2.4E-10 Ry\n smearing contrib. (-TS) = -0.00560468 Ry\n internal energy E=F+TS = -1655.76392568 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18349.16714675 Ry\n hartree contribution = 9207.53041809 Ry\n xc contribution = -312.78652495 Ry\n ewald contribution = 8226.63275931 Ry\n DFT-D3 Dispersion = -0.16385421 Ry\n one-center paw contrib. = -427.80957718 Ry\n\n convergence has been achieved in 32 iterations\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00277943 -0.00157262 -0.00153902\n atom 2 type 1 force = 0.00180893 -0.00148950 0.00092967\n atom 3 type 2 force = -0.00024696 -0.00176645 -0.00327497\n atom 4 type 2 force = 0.00310650 -0.00021273 -0.00135438\n atom 5 type 1 force = -0.00020061 -0.00059382 0.00110208\n atom 6 type 1 force = -0.00171375 0.00020874 0.00124512\n atom 7 type 2 force = -0.00125027 -0.00140938 0.00062414\n atom 8 type 2 force = 0.00111857 0.00033810 0.00055962\n atom 9 type 1 force = 0.00329885 -0.00036039 -0.00149772\n atom 10 type 1 force = 0.00147646 -0.00070895 -0.00066348\n atom 11 type 2 force = 0.00025868 0.00053959 0.00115522\n atom 12 type 2 force = -0.00094323 0.00003778 0.00144512\n atom 13 type 1 force = -0.00270587 -0.00193979 -0.00151474\n atom 14 type 1 force = -0.00200173 0.00167082 0.00104817\n atom 15 type 1 force = -0.00152597 0.00258307 0.00418404\n atom 16 type 2 force = -0.00033670 -0.00192709 -0.00054066\n atom 17 type 2 force = 0.00343190 -0.00088544 -0.00403991\n atom 18 type 1 force = 0.00278747 -0.00202159 -0.00187127\n atom 19 type 1 force = -0.00299253 -0.00114362 0.00135533\n atom 20 type 2 force = 0.00085125 0.00020804 -0.00024269\n atom 21 type 2 force = 0.00061269 0.00243814 0.00097549\n atom 22 type 3 force = 0.00135636 -0.00003574 -0.00029075\n atom 23 type 1 force = -0.00213203 0.00206514 0.00118229\n atom 24 type 1 force = -0.00061224 -0.00047084 0.00014662\n atom 25 type 1 force = -0.00098627 0.00103709 -0.00166137\n atom 26 type 1 force = -0.00120450 0.00143901 -0.00044493\n atom 27 type 1 force = 0.00019164 -0.00148257 0.00205001\n atom 28 type 1 force = 0.00019498 0.00234564 -0.00177490\n atom 29 type 3 force = 0.00049139 -0.00007095 0.00039605\n atom 30 type 1 force = 0.00113867 0.00035908 -0.00012484\n atom 31 type 1 force = -0.00007413 -0.01131506 -0.00287086\n atom 32 type 2 force = -0.00272579 0.00454194 -0.00028246\n atom 33 type 2 force = -0.00058028 0.00419953 0.00026014\n atom 34 type 1 force = 0.00106120 0.00088160 -0.00232067\n atom 35 type 1 force = -0.00134310 -0.00127200 0.00056770\n atom 36 type 2 force = 0.00047332 -0.00317275 0.00201268\n atom 37 type 2 force = -0.00086186 0.00302949 0.00065675\n atom 38 type 1 force = 0.00094126 0.00542871 -0.00076770\n atom 39 type 1 force = 0.00136527 0.00272788 0.00073663\n atom 40 type 1 force = 0.00176156 0.00162211 0.00154203\n atom 41 type 2 force = 0.00013198 0.00004767 -0.00187303\n atom 42 type 2 force = -0.00144649 -0.00210864 -0.00087197\n atom 43 type 1 force = 0.00170438 -0.00368453 0.00255756\n atom 44 type 1 force = 0.00168669 -0.00135157 -0.00079977\n atom 45 type 2 force = 0.00076749 -0.00064258 -0.00119821\n atom 46 type 2 force = -0.00034793 0.00328414 0.00243811\n atom 47 type 1 force = -0.00162235 -0.00069836 -0.00101696\n atom 48 type 1 force = 0.00009045 -0.00033367 0.00181546\n atom 49 type 2 force = -0.00092173 0.00183138 0.00151376\n atom 50 type 2 force = -0.00055217 -0.00019405 0.00033748\n\n Total force = 0.023913 Total SCF correction = 0.000040\n Energy error = 5.7E-04 Ry\n Gradient error = 1.1E-02 Ry/Bohr\n\n number of scf cycles = 65\n number of bfgs steps = 64\n\n energy old = -1655.7689572139 Ry\n energy new = -1655.7695303644 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0879119496 bohr\n new conv_thr = 0.0000000006 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8310137850 9.7547327256 9.3048754160\nN 10.5759199996 9.9094682915 8.1637679542\nO 9.5961962706 9.2846560785 8.5416817357\nO 10.6760147416 10.8593766277 7.4193020236\nN 13.1551022497 8.4848426481 9.2140427986\nN 12.3607460592 7.0797968981 10.4959266101\nO 12.3028954635 7.4700565326 11.6367243569\nO 12.1173119609 6.0436888017 9.9408132225\nN 14.4196490525 8.0476375006 9.6531222963\nN 15.2200851578 8.4415350100 6.8073955043\nO 14.6990123032 9.4667225272 6.4150697255\nO 15.9049148237 7.6010414865 6.2659659873\nN 15.1283361960 8.8422708722 10.3440714323\nN 16.4361856590 8.5026727209 10.3259241392\nN 16.6392847108 6.5937107561 9.9849970549\nO 17.3787743144 6.3504819060 9.0748214718\nO 15.9925138529 5.9379920294 10.7591828463\nN 17.2436102050 9.1178668875 11.1774224214\nN 17.4720691756 8.2946815661 12.8451404297\nO 17.8819500695 7.1591676541 12.7655838664\nO 17.1188931174 8.9841392077 13.7658707471\nC 18.4732676885 9.4444576360 10.5846397071\nN 19.5438930042 8.5485001017 9.8837482987\nN 19.5465604323 9.5710542273 8.6813492825\nN 20.6262556781 10.3884696549 9.4203322188\nN 19.5598592997 11.2687492299 10.1030346359\nN 19.5353097402 10.2505209007 11.3091363144\nN 20.6156819782 9.4141007767 10.5886176988\nC 18.4905259279 10.4019274722 9.3931647644\nN 17.2974319703 10.8243412130 8.7742165547\nN 17.5120428975 11.3984652623 7.1234646980\nO 17.2520085608 12.5742217882 6.9803729615\nO 17.8173843984 10.5172278368 6.3623817146\nN 16.4921562216 11.5302690839 9.5546896922\nN 16.8851101445 13.4029756539 9.9609139340\nO 16.3032739733 14.1900043026 9.2655549319\nO 17.6697894605 13.4815410626 10.8633538844\nN 15.1706809327 11.2662975868 9.4708237027\nN 14.4636046691 12.1161574248 10.0980972761\nN 15.2379290017 11.6088290087 12.9286261654\nO 16.0654723729 12.3202508423 13.4552762405\nO 14.3762096610 10.8703933494 13.3507730501\nN 13.1486970367 11.7818771449 10.4476026246\nN 12.4586784754 13.2367752984 9.0618589121\nO 12.5591046528 12.9178265653 7.9015800055\nO 12.1239409244 14.2398091940 9.6345578337\nN 12.7611126498 10.5255635506 10.3542920860\nN 10.5828958051 10.5916534059 11.4250078189\nO 9.5892982626 10.8771317050 10.7736313154\nO 10.6940380553 10.2197482523 12.5680013699\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.776E-02 0.000E+00\n\n total cpu time spent up to now is 2304.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 33.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2318.8 secs\n\n total energy = -1655.76804417 Ry\n estimated scf accuracy < 0.02083440 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.77E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 2322.8 secs\n\n total energy = -1655.76572437 Ry\n estimated scf accuracy < 0.58883284 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.77E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 2327.0 secs\n\n total energy = -1655.76959249 Ry\n estimated scf accuracy < 0.00251029 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.37E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.850E-02 0.000E+00\n\n total cpu time spent up to now is 2331.3 secs\n\n total energy = -1655.76960551 Ry\n estimated scf accuracy < 0.00324523 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.37E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.856E-02 0.000E+00\n\n total cpu time spent up to now is 2335.6 secs\n\n total energy = -1655.76969720 Ry\n estimated scf accuracy < 0.00169168 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.31E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.853E-02 0.000E+00\n\n total cpu time spent up to now is 2339.9 secs\n\n total energy = -1655.76977334 Ry\n estimated scf accuracy < 0.00091901 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.43E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.849E-02 0.000E+00\n\n total cpu time spent up to now is 2344.3 secs\n\n total energy = -1655.76981772 Ry\n estimated scf accuracy < 0.00004077 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.52E-08, avg # of iterations = 19.0\n\n negative rho (up, down): 2.849E-02 0.000E+00\n\n total cpu time spent up to now is 2351.8 secs\n\n total energy = -1655.77003013 Ry\n estimated scf accuracy < 0.00042916 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.52E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.849E-02 0.000E+00\n\n total cpu time spent up to now is 2356.1 secs\n\n total energy = -1655.76999202 Ry\n estimated scf accuracy < 0.00049798 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.52E-08, avg # of iterations = 3.0\n\n negative rho (up, down): 2.849E-02 0.000E+00\n\n total cpu time spent up to now is 2360.6 secs\n\n total energy = -1655.76998567 Ry\n estimated scf accuracy < 0.00039406 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.52E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.848E-02 0.000E+00\n\n total cpu time spent up to now is 2365.1 secs\n\n total energy = -1655.76999251 Ry\n estimated scf accuracy < 0.00001051 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.92E-09, avg # of iterations = 13.0\n\n negative rho (up, down): 2.846E-02 0.000E+00\n\n total cpu time spent up to now is 2370.3 secs\n\n total energy = -1655.77000075 Ry\n estimated scf accuracy < 0.00001414 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.92E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.840E-02 0.000E+00\n\n total cpu time spent up to now is 2374.8 secs\n\n total energy = -1655.76999846 Ry\n estimated scf accuracy < 0.00001052 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.92E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 2379.1 secs\n\n total energy = -1655.76999877 Ry\n estimated scf accuracy < 0.00000315 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.17E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 2383.9 secs\n\n total energy = -1655.76999939 Ry\n estimated scf accuracy < 0.00000145 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.40E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 2388.8 secs\n\n total energy = -1655.76999984 Ry\n estimated scf accuracy < 0.00000118 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.42E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.823E-02 0.000E+00\n\n total cpu time spent up to now is 2393.4 secs\n\n total energy = -1655.77000007 Ry\n estimated scf accuracy < 0.00000056 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.08E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 2398.3 secs\n\n total energy = -1655.77000029 Ry\n estimated scf accuracy < 0.00000045 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.68E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 2402.7 secs\n\n total energy = -1655.77000034 Ry\n estimated scf accuracy < 0.00000043 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.59E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 2407.0 secs\n\n total energy = -1655.77000038 Ry\n estimated scf accuracy < 0.00000014 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.40E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 2411.9 secs\n\n total energy = -1655.77000044 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.02E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 2417.1 secs\n\n total energy = -1655.77000048 Ry\n estimated scf accuracy < 0.00000019 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.02E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 2421.4 secs\n\n total energy = -1655.77000049 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.15E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 2425.7 secs\n\n total energy = -1655.77000050 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.15E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 2430.0 secs\n\n total energy = -1655.77000051 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.26E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2434.4 secs\n\n total energy = -1655.77000052 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.44E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 2438.8 secs\n\n total energy = -1655.77000052 Ry\n estimated scf accuracy < 3.8E-09 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.43E-12, avg # of iterations = 15.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2444.5 secs\n\n total energy = -1655.77000053 Ry\n estimated scf accuracy < 2.0E-09 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.38E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2449.1 secs\n\n total energy = -1655.77000053 Ry\n estimated scf accuracy < 1.3E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.73E-13, avg # of iterations = 12.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2453.7 secs\n\n total energy = -1655.77000053 Ry\n estimated scf accuracy < 1.8E-09 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.73E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2458.4 secs\n\n total energy = -1655.77000053 Ry\n estimated scf accuracy < 2.3E-09 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.73E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 2462.9 secs\n\n total energy = -1655.77000053 Ry\n estimated scf accuracy < 7.1E-10 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.64E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 2466.5 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8815 -32.8562 -32.7942 -32.7906 -32.6625 -32.5325 -32.1949 -32.1090\n -32.0900 -31.9629 -30.7063 -29.6618 -29.2420 -29.0645 -29.0346 -28.9123\n -28.8835 -28.8665 -28.7559 -28.6127 -28.4694 -28.3561 -28.2002 -28.1047\n -27.4532 -26.8406 -25.5436 -24.8197 -24.3929 -24.0261 -22.8375 -21.9675\n -20.7082 -19.2306 -18.6997 -18.1810 -17.9973 -17.5232 -17.3522 -17.3354\n -17.1104 -16.9586 -16.6002 -16.5620 -16.5502 -16.5187 -16.4270 -16.3799\n -15.7630 -15.7300 -15.5283 -15.3675 -15.2003 -15.1013 -15.0597 -14.8859\n -14.7713 -14.7324 -14.6577 -14.6264 -14.5151 -14.4904 -14.4551 -14.3723\n -14.3224 -14.3114 -14.2942 -14.2346 -14.2005 -14.1531 -14.1100 -14.0035\n -13.9883 -13.9480 -13.9211 -13.8855 -13.8395 -13.7793 -13.7354 -13.6970\n -13.6353 -13.5964 -13.2308 -13.0686 -12.7107 -12.4341 -12.1438 -12.0485\n -11.7856 -11.4916 -11.4159 -11.3488 -10.9414 -10.7808 -10.4400 -10.0240\n -9.9335 -9.8067 -9.7893 -9.6832 -9.6521 -9.6206 -9.5881 -9.5556\n -9.5361 -9.4074 -9.3697 -9.3600 -9.3411 -9.2407 -9.1900 -9.1015\n -9.0378 -8.9974 -8.9517 -8.9042 -8.8383 -8.8049 -8.6647 -8.5932\n -8.5090 -8.2808 -8.1184 -8.0854 -7.7396 -7.6051 -7.3182 -7.2065\n -6.9767 -6.8735 -6.4223 -6.3533 -6.3065 -6.0832 -6.0716 -5.8729\n -5.5422 -4.8928 -4.7623 -4.7530 -4.3890 -4.2359 -4.1569 -4.0575\n -4.0557 -3.9018 -3.8266 -3.7019 -3.6728 -3.6629 -3.5923 -3.5098\n -3.4094 -3.1719 -3.0682 -2.8294 -2.3759 -2.2594 -0.7446 -0.4037\n -0.1570\n\n the Fermi energy is -6.0774 ev\n\n! total energy = -1655.77000056 Ry\n total all-electron energy = -6224.602348 Ry\n estimated scf accuracy < 4.9E-10 Ry\n smearing contrib. (-TS) = -0.00560156 Ry\n internal energy E=F+TS = -1655.76439900 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18359.90694398 Ry\n hartree contribution = 9212.87665012 Ry\n xc contribution = -312.79020863 Ry\n ewald contribution = 8232.02959507 Ry\n DFT-D3 Dispersion = -0.16417890 Ry\n one-center paw contrib. = -427.80931269 Ry\n\n convergence has been achieved in 33 iterations\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00259581 -0.00266485 -0.00073565\n atom 2 type 1 force = 0.00181978 0.00084224 -0.00069781\n atom 3 type 2 force = -0.00135315 -0.00098302 -0.00409598\n atom 4 type 2 force = 0.00292107 -0.00339133 0.00076373\n atom 5 type 1 force = 0.00057032 -0.00122971 0.00070192\n atom 6 type 1 force = -0.00300105 -0.00142043 -0.00022926\n atom 7 type 2 force = -0.00104728 -0.00012282 0.00253322\n atom 8 type 2 force = 0.00088726 0.00034789 0.00016175\n atom 9 type 1 force = 0.00217491 0.00067790 -0.00245065\n atom 10 type 1 force = 0.00051375 -0.00011788 0.00042777\n atom 11 type 2 force = 0.00056736 0.00037490 0.00083356\n atom 12 type 2 force = -0.00030150 -0.00047432 0.00059346\n atom 13 type 1 force = 0.00021531 0.00050181 0.00127044\n atom 14 type 1 force = -0.00110110 -0.00011175 -0.00007535\n atom 15 type 1 force = -0.00082708 0.00323118 0.00283640\n atom 16 type 2 force = 0.00075481 -0.00132446 -0.00148174\n atom 17 type 2 force = 0.00187054 -0.00216567 -0.00149326\n atom 18 type 1 force = 0.00012584 -0.00256157 -0.00164452\n atom 19 type 1 force = -0.00286027 0.00061514 0.00005773\n atom 20 type 2 force = -0.00011721 0.00103040 0.00083532\n atom 21 type 2 force = 0.00106831 0.00032810 0.00123915\n atom 22 type 3 force = -0.00029906 0.00038276 -0.00013082\n atom 23 type 1 force = -0.00180565 0.00053249 0.00243104\n atom 24 type 1 force = -0.00087557 0.00085715 -0.00058346\n atom 25 type 1 force = -0.00055787 0.00067053 -0.00141899\n atom 26 type 1 force = -0.00141903 0.00122145 0.00068804\n atom 27 type 1 force = -0.00015367 -0.00236955 0.00118704\n atom 28 type 1 force = 0.00036588 0.00254546 -0.00215651\n atom 29 type 3 force = -0.00148916 0.00036407 -0.00077497\n atom 30 type 1 force = 0.00127820 0.00111189 -0.00206791\n atom 31 type 1 force = -0.00323944 0.00596373 -0.00072607\n atom 32 type 2 force = 0.00003674 -0.00987255 0.00172531\n atom 33 type 2 force = 0.00093519 0.00008479 -0.00468034\n atom 34 type 1 force = 0.00050555 0.00084310 -0.00001066\n atom 35 type 1 force = -0.00276521 -0.00330609 -0.00133651\n atom 36 type 2 force = 0.00026678 -0.00101482 0.00194983\n atom 37 type 2 force = 0.00062948 0.00344016 0.00216327\n atom 38 type 1 force = 0.00135079 0.00541522 -0.00120559\n atom 39 type 1 force = 0.00140785 0.00279186 0.00120026\n atom 40 type 1 force = 0.00104527 0.00118709 -0.00096068\n atom 41 type 2 force = -0.00001659 -0.00013378 -0.00031442\n atom 42 type 2 force = -0.00063460 -0.00152903 0.00026440\n atom 43 type 1 force = 0.00081711 -0.00333182 0.00163543\n atom 44 type 1 force = -0.00046451 0.00390787 -0.00387460\n atom 45 type 2 force = 0.00113454 -0.00025245 0.00444775\n atom 46 type 2 force = 0.00155959 -0.00169322 0.00036321\n atom 47 type 1 force = -0.00156949 -0.00044710 -0.00095421\n atom 48 type 1 force = 0.00113635 -0.00091348 0.00064551\n atom 49 type 2 force = 0.00105945 0.00268677 0.00071129\n atom 50 type 2 force = 0.00147625 -0.00052428 0.00243313\n\n Total force = 0.023638 Total SCF correction = 0.000055\n Energy error = 4.7E-04 Ry\n Gradient error = 9.9E-03 Ry/Bohr\n\n number of scf cycles = 66\n number of bfgs steps = 65\n\n energy old = -1655.7695303644 Ry\n energy new = -1655.7700005608 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0275119167 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8285038734 9.7508554887 9.3032404222\nN 10.5757747861 9.9070872107 8.1643180727\nO 9.5960640443 9.2792158264 8.5389810263\nO 10.6768466552 10.8562818773 7.4206596393\nN 13.1539093499 8.4818267465 9.2123042064\nN 12.3648503489 7.0799389139 10.4976305159\nO 12.3049908261 7.4703232179 11.6383043873\nO 12.1308567070 6.0410267523 9.9446031489\nN 14.4225386281 8.0441895521 9.6476800288\nN 15.2257522717 8.4437087863 6.8124920085\nO 14.6999358130 9.4662636138 6.4195313613\nO 15.9020447958 7.5973872492 6.2694389816\nN 15.1287274643 8.8405789674 10.3384581582\nN 16.4367571896 8.5056119451 10.3249393518\nN 16.6416561324 6.5988808350 9.9821016481\nO 17.3809522603 6.3567645315 9.0700418687\nO 15.9989994972 5.9352305564 10.7540572975\nN 17.2453413947 9.1197015099 11.1756961303\nN 17.4723411960 8.2984049032 12.8475170955\nO 17.8868300912 7.1644375864 12.7675087420\nO 17.1225757272 8.9918542358 13.7675586124\nC 18.4745389198 9.4494390578 10.5852123984\nN 19.5443319739 8.5540218039 9.8891090727\nN 19.5450584460 9.5691731788 8.6812522598\nN 20.6246171414 10.3923723213 9.4143131049\nN 19.5582098444 11.2747187017 10.0958896828\nN 19.5358618971 10.2593419706 11.3081866829\nN 20.6166195500 9.4238417351 10.5866163201\nC 18.4899141794 10.4039119223 9.3909807555\nN 17.2965690284 10.8254720096 8.7719437675\nN 17.4996447159 11.3975675500 7.1221839151\nO 17.2380793208 12.5704320770 6.9784836483\nO 17.8158827286 10.5185612871 6.3622742051\nN 16.4910998786 11.5337781679 9.5505012752\nN 16.8805031429 13.3992684848 9.9635062387\nO 16.3011022404 14.1851996980 9.2637698141\nO 17.6613500960 13.4815218581 10.8700458155\nN 15.1706731851 11.2698196864 9.4716903246\nN 14.4643993722 12.1153242524 10.1044444488\nN 15.2396969905 11.6065653497 12.9262604695\nO 16.0672764293 12.3222720481 13.4486551951\nO 14.3772827125 10.8682326510 13.3495104953\nN 13.1500538178 11.7740282459 10.4550390479\nN 12.4571234973 13.2324452510 9.0637688840\nO 12.5584965669 12.9137619963 7.9050132285\nO 12.1253395660 14.2348338329 9.6373159065\nN 12.7615027060 10.5205794672 10.3549861265\nN 10.5813780878 10.5880029803 11.4269306916\nO 9.5882890758 10.8747765183 10.7753814635\nO 10.6915488807 10.2168438496 12.5704737909\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 2476.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 2486.3 secs\n\n total energy = -1655.76967883 Ry\n estimated scf accuracy < 0.00299694 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.12E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 2490.4 secs\n\n total energy = -1655.76886200 Ry\n estimated scf accuracy < 0.17791608 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.12E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.856E-02 0.000E+00\n\n total cpu time spent up to now is 2494.5 secs\n\n total energy = -1655.77007282 Ry\n estimated scf accuracy < 0.00043828 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.64E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.858E-02 0.000E+00\n\n total cpu time spent up to now is 2499.5 secs\n\n total energy = -1655.77036084 Ry\n estimated scf accuracy < 0.00034646 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.29E-07, avg # of iterations = 4.0\n\n negative rho (up, down): 2.859E-02 0.000E+00\n\n total cpu time spent up to now is 2503.8 secs\n\n total energy = -1655.77039479 Ry\n estimated scf accuracy < 0.00010933 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.08E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.860E-02 0.000E+00\n\n total cpu time spent up to now is 2508.6 secs\n\n total energy = -1655.77043726 Ry\n estimated scf accuracy < 0.00002653 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.90E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.854E-02 0.000E+00\n\n total cpu time spent up to now is 2513.7 secs\n\n total energy = -1655.77045737 Ry\n estimated scf accuracy < 0.00003125 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.90E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.845E-02 0.000E+00\n\n total cpu time spent up to now is 2518.0 secs\n\n total energy = -1655.77045784 Ry\n estimated scf accuracy < 0.00000831 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.10E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.839E-02 0.000E+00\n\n total cpu time spent up to now is 2522.6 secs\n\n total energy = -1655.77045951 Ry\n estimated scf accuracy < 0.00000304 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.13E-09, avg # of iterations = 15.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 2528.0 secs\n\n total energy = -1655.77046202 Ry\n estimated scf accuracy < 0.00000408 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.13E-09, avg # of iterations = 4.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 2532.4 secs\n\n total energy = -1655.77046241 Ry\n estimated scf accuracy < 0.00000112 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.17E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 2537.1 secs\n\n total energy = -1655.77046274 Ry\n estimated scf accuracy < 0.00000077 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.88E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 2541.6 secs\n\n total energy = -1655.77046291 Ry\n estimated scf accuracy < 0.00000022 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.12E-11, avg # of iterations = 15.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 2547.2 secs\n\n total energy = -1655.77046317 Ry\n estimated scf accuracy < 0.00000011 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.28E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 2551.8 secs\n\n total energy = -1655.77046323 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.81E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 2556.8 secs\n\n total energy = -1655.77046329 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.79E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 2561.2 secs\n\n total energy = -1655.77046331 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.71E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 2565.5 secs\n\n total energy = -1655.77046332 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.55E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 2569.8 secs\n\n total energy = -1655.77046333 Ry\n estimated scf accuracy < 7.7E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.89E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 2575.3 secs\n\n total energy = -1655.77046333 Ry\n estimated scf accuracy < 6.9E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.59E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 2579.6 secs\n\n total energy = -1655.77046334 Ry\n estimated scf accuracy < 2.0E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.46E-13, avg # of iterations = 14.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 2585.3 secs\n\n total energy = -1655.77046334 Ry\n estimated scf accuracy < 4.1E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.46E-13, avg # of iterations = 5.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2589.7 secs\n\n total energy = -1655.77046335 Ry\n estimated scf accuracy < 5.9E-10 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-13, avg # of iterations = 12.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2594.7 secs\n\n total energy = -1655.77046335 Ry\n estimated scf accuracy < 5.4E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.00E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 2598.3 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8724 -32.8267 -32.8173 -32.7834 -32.6643 -32.5583 -32.1785 -32.1081\n -32.0836 -31.9688 -30.7148 -29.6629 -29.2499 -29.0483 -28.9875 -28.9204\n -28.8907 -28.8813 -28.7807 -28.6175 -28.4675 -28.3594 -28.1947 -28.1091\n -27.4552 -26.8489 -25.5569 -24.8218 -24.4074 -24.0306 -22.8367 -21.9867\n -20.7187 -19.2292 -18.7136 -18.1942 -18.0138 -17.5301 -17.3637 -17.3385\n -17.1170 -16.9521 -16.6016 -16.5688 -16.5497 -16.5192 -16.4268 -16.3824\n -15.7763 -15.7353 -15.5227 -15.3707 -15.2037 -15.1099 -15.0628 -14.8927\n -14.7710 -14.7360 -14.6533 -14.6155 -14.5295 -14.4910 -14.4614 -14.3874\n -14.3242 -14.3103 -14.2749 -14.2307 -14.2070 -14.1573 -14.1068 -14.0071\n -13.9827 -13.9494 -13.9220 -13.8801 -13.8351 -13.7820 -13.7344 -13.6971\n -13.6371 -13.5970 -13.2247 -13.0655 -12.7183 -12.4326 -12.1482 -12.0525\n -11.7903 -11.4998 -11.4233 -11.3548 -10.9443 -10.7837 -10.4429 -10.0299\n -9.9314 -9.8122 -9.7873 -9.6888 -9.6561 -9.6170 -9.5918 -9.5607\n -9.5269 -9.4119 -9.3722 -9.3643 -9.3394 -9.2463 -9.1873 -9.0989\n -9.0279 -8.9963 -8.9532 -8.9110 -8.8409 -8.8072 -8.6625 -8.5907\n -8.5105 -8.2685 -8.1254 -8.0869 -7.7455 -7.6096 -7.3236 -7.2170\n -6.9824 -6.8803 -6.4217 -6.3562 -6.3079 -6.0795 -6.0678 -5.8689\n -5.5406 -4.8889 -4.7576 -4.7466 -4.3787 -4.2528 -4.1628 -4.0669\n -4.0500 -3.8954 -3.8139 -3.6988 -3.6834 -3.6634 -3.6035 -3.5097\n -3.4136 -3.1749 -3.0725 -2.8350 -2.3811 -2.2606 -0.7667 -0.4037\n -0.1581\n\n the Fermi energy is -6.0736 ev\n\n! total energy = -1655.77046337 Ry\n total all-electron energy = -6224.602811 Ry\n estimated scf accuracy < 2.6E-10 Ry\n smearing contrib. (-TS) = -0.00560066 Ry\n internal energy E=F+TS = -1655.76486272 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18364.39814627 Ry\n hartree contribution = 9215.10254769 Ry\n xc contribution = -312.79271512 Ry\n ewald contribution = 8234.29638046 Ry\n DFT-D3 Dispersion = -0.16427530 Ry\n one-center paw contrib. = -427.80865418 Ry\n\n convergence has been achieved in 25 iterations\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00175481 -0.00270055 0.00033820\n atom 2 type 1 force = 0.00086187 -0.00161667 0.00067832\n atom 3 type 2 force = -0.00094838 -0.00006670 -0.00423957\n atom 4 type 2 force = 0.00231189 -0.00173759 -0.00041509\n atom 5 type 1 force = 0.00097781 -0.00188942 -0.00001003\n atom 6 type 1 force = -0.00236583 -0.00112293 0.00019381\n atom 7 type 2 force = -0.00110323 0.00039659 0.00255252\n atom 8 type 2 force = 0.00019086 -0.00073909 -0.00048506\n atom 9 type 1 force = 0.00092971 0.00196344 -0.00202681\n atom 10 type 1 force = 0.00049832 -0.00047777 0.00092986\n atom 11 type 2 force = 0.00079652 0.00021453 0.00045987\n atom 12 type 2 force = -0.00052609 -0.00000404 0.00034533\n atom 13 type 1 force = 0.00053095 0.00167226 0.00252066\n atom 14 type 1 force = 0.00034495 -0.00128042 -0.00058893\n atom 15 type 1 force = 0.00056003 -0.00016814 0.00107491\n atom 16 type 2 force = -0.00007262 0.00006671 -0.00030472\n atom 17 type 2 force = 0.00187489 -0.00009996 -0.00129989\n atom 18 type 1 force = -0.00267925 -0.00211398 -0.00047019\n atom 19 type 1 force = -0.00198268 0.00179381 0.00034918\n atom 20 type 2 force = -0.00119998 0.00208787 0.00192309\n atom 21 type 2 force = 0.00156243 -0.00197108 -0.00047576\n atom 22 type 3 force = -0.00079782 0.00086316 -0.00064513\n atom 23 type 1 force = -0.00095511 -0.00036567 0.00149701\n atom 24 type 1 force = -0.00076510 0.00183008 -0.00098216\n atom 25 type 1 force = -0.00009792 0.00056830 -0.00032852\n atom 26 type 1 force = -0.00101897 0.00046425 0.00109218\n atom 27 type 1 force = -0.00057184 -0.00116850 -0.00049869\n atom 28 type 1 force = -0.00041253 0.00146908 -0.00121021\n atom 29 type 3 force = -0.00168803 0.00014471 -0.00115426\n atom 30 type 1 force = -0.00078633 0.00223143 -0.00241788\n atom 31 type 1 force = 0.00169646 0.00069444 -0.00065475\n atom 32 type 2 force = -0.00241453 -0.00454503 0.00133224\n atom 33 type 2 force = -0.00000438 -0.00032037 -0.00452684\n atom 34 type 1 force = 0.00145080 -0.00009707 0.00127973\n atom 35 type 1 force = -0.00176965 -0.00125355 -0.00133514\n atom 36 type 2 force = 0.00102763 -0.00162950 0.00317299\n atom 37 type 2 force = -0.00095569 0.00273541 0.00046073\n atom 38 type 1 force = 0.00155425 0.00361846 -0.00169532\n atom 39 type 1 force = 0.00034404 0.00232665 0.00162119\n atom 40 type 1 force = 0.00086572 0.00108217 -0.00090318\n atom 41 type 2 force = -0.00224843 -0.00205147 -0.00034389\n atom 42 type 2 force = 0.00175448 0.00047226 0.00039845\n atom 43 type 1 force = -0.00021434 -0.00184901 0.00063756\n atom 44 type 1 force = 0.00047654 0.00213418 -0.00049358\n atom 45 type 2 force = 0.00139897 -0.00129311 0.00046699\n atom 46 type 2 force = 0.00047582 0.00122938 0.00154741\n atom 47 type 1 force = -0.00070891 -0.00059830 -0.00092515\n atom 48 type 1 force = 0.00182342 -0.00105184 0.00103497\n atom 49 type 2 force = 0.00133791 0.00257102 0.00049343\n atom 50 type 2 force = 0.00239619 -0.00041843 0.00203010\n\n Total force = 0.018201 Total SCF correction = 0.000042\n Energy error = 4.6E-04 Ry\n Gradient error = 4.5E-03 Ry/Bohr\n\n number of scf cycles = 67\n number of bfgs steps = 66\n\n energy old = -1655.7700005608 Ry\n energy new = -1655.7704633745 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0388384631 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8241975913 9.7438661950 9.3011883229\nN 10.5755946544 9.9021725215 8.1651059092\nO 9.5947221535 9.2724603070 8.5327156235\nO 10.6781363400 10.8519909636 7.4229748431\nN 13.1533097346 8.4763246201 9.2108238529\nN 12.3678898935 7.0792109665 10.5008211553\nO 12.3064246371 7.4702021304 11.6425078592\nO 12.1442990577 6.0373033661 9.9483489911\nN 14.4259949793 8.0414988551 9.6421053825\nN 15.2323766277 8.4446009686 6.8172755732\nO 14.7012459781 9.4647108156 6.4238764190\nO 15.8996250072 7.5927676156 6.2721357773\nN 15.1289695473 8.8397178372 10.3355688422\nN 16.4375779215 8.5083836895 10.3241100491\nN 16.6476291419 6.6056665332 9.9789019253\nO 17.3843564320 6.3633932896 9.0639553122\nO 16.0090490353 5.9340273021 10.7470000110\nN 17.2454648446 9.1206587813 11.1734963976\nN 17.4722305188 8.3029066715 12.8498501295\nO 17.8916970508 7.1717057047 12.7705093294\nO 17.1290121960 8.9993580420 13.7693896267\nC 18.4756862927 9.4558519310 10.5849694066\nN 19.5442260651 8.5611385604 9.8949536797\nN 19.5426653176 9.5698505829 8.6801377186\nN 20.6223032940 10.3991180217 9.4075242282\nN 19.5542793521 11.2824948994 10.0886467836\nN 19.5354270891 10.2692248115 11.3064928011\nN 20.6171980189 9.4369618359 10.5832718877\nC 18.4882258339 10.4062811233 9.3876319303\nN 17.2955048529 10.8272600882 8.7675725151\nN 17.4883503509 11.3944031927 7.1195586230\nO 17.2181794115 12.5655675913 6.9768305446\nO 17.8155163278 10.5202242545 6.3580875662\nN 16.4917474625 11.5369529193 9.5472273770\nN 16.8758148444 13.3934694038 9.9676835056\nO 16.2974060671 14.1773947861 9.2653642429\nO 17.6516932917 13.4845130928 10.8779074162\nN 15.1728338946 11.2763910546 9.4704795055\nN 14.4659710089 12.1158096966 10.1112398012\nN 15.2424857028 11.6047772767 12.9245224670\nO 16.0684654600 12.3231732798 13.4420610762\nO 14.3800627260 10.8681121090 13.3489884639\nN 13.1522285567 11.7632219992 10.4634322087\nN 12.4554924475 13.2290849221 9.0657990334\nO 12.5566261847 12.9078927291 7.9081662832\nO 12.1240720463 14.2309710694 9.6407906385\nN 12.7619266551 10.5140982999 10.3546701046\nN 10.5805697797 10.5838200618 11.4306745973\nO 9.5873499432 10.8721013981 10.7784884395\nO 10.6905814232 10.2125900914 12.5749675553\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2608.5 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 1 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 2618.8 secs\n\n total energy = -1655.76996270 Ry\n estimated scf accuracy < 0.00586332 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 2622.9 secs\n\n total energy = -1655.76837725 Ry\n estimated scf accuracy < 0.31699872 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.845E-02 0.000E+00\n\n total cpu time spent up to now is 2627.1 secs\n\n total energy = -1655.77056640 Ry\n estimated scf accuracy < 0.00078129 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.92E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.851E-02 0.000E+00\n\n total cpu time spent up to now is 2631.4 secs\n\n total energy = -1655.77067526 Ry\n estimated scf accuracy < 0.00047771 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.78E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.859E-02 0.000E+00\n\n total cpu time spent up to now is 2635.9 secs\n\n total energy = -1655.77075621 Ry\n estimated scf accuracy < 0.00030654 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.14E-07, avg # of iterations = 11.0\n\n negative rho (up, down): 2.858E-02 0.000E+00\n\n total cpu time spent up to now is 2640.7 secs\n\n total energy = -1655.77087609 Ry\n estimated scf accuracy < 0.00004010 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.50E-08, avg # of iterations = 13.0\n\n negative rho (up, down): 2.858E-02 0.000E+00\n\n total cpu time spent up to now is 2646.6 secs\n\n total energy = -1655.77096531 Ry\n estimated scf accuracy < 0.00004881 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.50E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.856E-02 0.000E+00\n\n total cpu time spent up to now is 2650.9 secs\n\n total energy = -1655.77096429 Ry\n estimated scf accuracy < 0.00006220 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.50E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.850E-02 0.000E+00\n\n total cpu time spent up to now is 2655.2 secs\n\n total energy = -1655.77095561 Ry\n estimated scf accuracy < 0.00006124 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.50E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.848E-02 0.000E+00\n\n total cpu time spent up to now is 2659.5 secs\n\n total energy = -1655.77095588 Ry\n estimated scf accuracy < 0.00001938 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.23E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.847E-02 0.000E+00\n\n total cpu time spent up to now is 2664.0 secs\n\n total energy = -1655.77095599 Ry\n estimated scf accuracy < 0.00001580 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.89E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.848E-02 0.000E+00\n\n total cpu time spent up to now is 2668.3 secs\n\n total energy = -1655.77095701 Ry\n estimated scf accuracy < 0.00000317 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.18E-09, avg # of iterations = 13.0\n\n negative rho (up, down): 2.847E-02 0.000E+00\n\n total cpu time spent up to now is 2673.8 secs\n\n total energy = -1655.77096036 Ry\n estimated scf accuracy < 0.00000224 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.34E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.843E-02 0.000E+00\n\n total cpu time spent up to now is 2678.1 secs\n\n total energy = -1655.77096035 Ry\n estimated scf accuracy < 0.00000159 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.94E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.839E-02 0.000E+00\n\n total cpu time spent up to now is 2682.6 secs\n\n total energy = -1655.77096062 Ry\n estimated scf accuracy < 0.00000089 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.31E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 2687.7 secs\n\n total energy = -1655.77096127 Ry\n estimated scf accuracy < 0.00000039 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 2692.5 secs\n\n total energy = -1655.77096147 Ry\n estimated scf accuracy < 0.00000022 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.32E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 2697.2 secs\n\n total energy = -1655.77096156 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.43E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 2701.7 secs\n\n total energy = -1655.77096163 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.96E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 2706.3 secs\n\n total energy = -1655.77096164 Ry\n estimated scf accuracy < 0.00000014 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.96E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 2710.8 secs\n\n total energy = -1655.77096171 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.96E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 2715.1 secs\n\n total energy = -1655.77096174 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.31E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 2719.8 secs\n\n total energy = -1655.77096176 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.97E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 2724.5 secs\n\n total energy = -1655.77096176 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.83E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 2729.2 secs\n\n total energy = -1655.77096177 Ry\n estimated scf accuracy < 4.9E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.81E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 2733.9 secs\n\n total energy = -1655.77096178 Ry\n estimated scf accuracy < 2.0E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.51E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 2738.7 secs\n\n total energy = -1655.77096179 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.37E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 2743.3 secs\n\n total energy = -1655.77096180 Ry\n estimated scf accuracy < 6.9E-10 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.57E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 2747.6 secs\n\n total energy = -1655.77096181 Ry\n estimated scf accuracy < 5.0E-10 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.86E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2751.2 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8760 -32.8343 -32.8212 -32.7824 -32.6442 -32.5567 -32.2142 -32.1049\n -32.0629 -31.9724 -30.7259 -29.6614 -29.2586 -29.0332 -28.9592 -28.9337\n -28.8899 -28.8669 -28.7899 -28.6272 -28.5042 -28.3596 -28.1803 -28.1057\n -27.4645 -26.8556 -25.5733 -24.8226 -24.4239 -24.0378 -22.8407 -22.0075\n -20.7275 -19.2292 -18.7329 -18.2097 -18.0405 -17.5371 -17.3855 -17.3395\n -17.1250 -16.9465 -16.6065 -16.5753 -16.5494 -16.5199 -16.4256 -16.3857\n -15.7896 -15.7419 -15.5200 -15.3752 -15.2036 -15.1193 -15.0724 -14.9041\n -14.7697 -14.7408 -14.6438 -14.6068 -14.5409 -14.4887 -14.4648 -14.3877\n -14.3333 -14.3044 -14.2517 -14.2265 -14.2078 -14.1593 -14.0981 -14.0238\n -14.0081 -13.9493 -13.9210 -13.8703 -13.8297 -13.7801 -13.7471 -13.7019\n -13.6367 -13.5959 -13.2137 -13.0613 -12.7275 -12.4339 -12.1552 -12.0552\n -11.7963 -11.5068 -11.4339 -11.3571 -10.9525 -10.7868 -10.4501 -10.0397\n -9.9297 -9.8199 -9.7879 -9.6966 -9.6542 -9.6135 -9.5920 -9.5636\n -9.5174 -9.4281 -9.3748 -9.3670 -9.3332 -9.2454 -9.1852 -9.0982\n -9.0181 -8.9901 -8.9539 -8.9212 -8.8402 -8.8075 -8.6640 -8.5881\n -8.5068 -8.2540 -8.1363 -8.0901 -7.7491 -7.6165 -7.3355 -7.2300\n -6.9939 -6.8898 -6.4234 -6.3654 -6.3079 -6.0769 -6.0650 -5.8664\n -5.5448 -4.8918 -4.7505 -4.7420 -4.3736 -4.2587 -4.1723 -4.0674\n -4.0360 -3.8993 -3.8102 -3.6978 -3.6841 -3.6638 -3.6211 -3.5101\n -3.4152 -3.1817 -3.0829 -2.8416 -2.3890 -2.2643 -0.8040 -0.4033\n -0.1581\n\n the Fermi energy is -6.0710 ev\n\n! total energy = -1655.77096184 Ry\n total all-electron energy = -6224.603310 Ry\n estimated scf accuracy < 3.1E-10 Ry\n smearing contrib. (-TS) = -0.00559926 Ry\n internal energy E=F+TS = -1655.76536258 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18368.42632904 Ry\n hartree contribution = 9217.08908218 Ry\n xc contribution = -312.79708430 Ry\n ewald contribution = 8236.34142710 Ry\n DFT-D3 Dispersion = -0.16433475 Ry\n one-center paw contrib. = -427.80812377 Ry\n\n convergence has been achieved in 30 iterations\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00094034 -0.00202681 0.00163235\n atom 2 type 1 force = 0.00021028 -0.00186031 0.00018792\n atom 3 type 2 force = -0.00170008 -0.00060169 -0.00308921\n atom 4 type 2 force = 0.00193128 -0.00078153 -0.00089535\n atom 5 type 1 force = 0.00132976 -0.00186546 -0.00051861\n atom 6 type 1 force = -0.00169475 -0.00152993 0.00184184\n atom 7 type 2 force = -0.00119281 -0.00068640 -0.00075355\n atom 8 type 2 force = -0.00030238 0.00017427 0.00082403\n atom 9 type 1 force = 0.00059162 0.00352904 -0.00042618\n atom 10 type 1 force = -0.00007039 0.00015012 0.00129270\n atom 11 type 2 force = 0.00132314 -0.00057386 0.00039267\n atom 12 type 2 force = -0.00049616 0.00011284 -0.00004335\n atom 13 type 1 force = -0.00048327 0.00094184 0.00156408\n atom 14 type 1 force = 0.00051948 -0.00232561 -0.00171045\n atom 15 type 1 force = 0.00152738 -0.00313798 -0.00158206\n atom 16 type 2 force = 0.00053839 0.00208152 -0.00042514\n atom 17 type 2 force = 0.00028350 0.00075398 0.00115171\n atom 18 type 1 force = -0.00174312 0.00021897 0.00131762\n atom 19 type 1 force = -0.00068551 0.00306374 -0.00099275\n atom 20 type 2 force = -0.00106431 -0.00023224 0.00195885\n atom 21 type 2 force = 0.00051512 -0.00110642 0.00042557\n atom 22 type 3 force = -0.00310656 0.00043341 -0.00025713\n atom 23 type 1 force = 0.00061506 -0.00081213 -0.00064393\n atom 24 type 1 force = 0.00010882 0.00174601 -0.00123577\n atom 25 type 1 force = 0.00041413 0.00043516 0.00080080\n atom 26 type 1 force = 0.00032547 -0.00006093 0.00115647\n atom 27 type 1 force = -0.00079409 0.00068818 -0.00209430\n atom 28 type 1 force = -0.00028121 -0.00047998 0.00034441\n atom 29 type 3 force = -0.00149454 0.00041087 -0.00097617\n atom 30 type 1 force = -0.00165713 0.00204374 -0.00229298\n atom 31 type 1 force = 0.00386629 0.00200825 -0.00148496\n atom 32 type 2 force = -0.00304693 -0.00493100 0.00104422\n atom 33 type 2 force = -0.00085708 -0.00036745 -0.00320469\n atom 34 type 1 force = 0.00213045 -0.00029997 0.00191011\n atom 35 type 1 force = -0.00035408 0.00128928 -0.00105710\n atom 36 type 2 force = -0.00028197 -0.00078882 0.00177706\n atom 37 type 2 force = -0.00070413 0.00063144 0.00088583\n atom 38 type 1 force = -0.00092550 0.00179740 -0.00098874\n atom 39 type 1 force = 0.00008032 0.00004005 0.00143600\n atom 40 type 1 force = -0.00054233 -0.00009037 -0.00344492\n atom 41 type 2 force = 0.00006643 -0.00003986 0.00151206\n atom 42 type 2 force = 0.00080863 -0.00039814 0.00122313\n atom 43 type 1 force = -0.00093742 0.00039198 -0.00073766\n atom 44 type 1 force = 0.00080203 0.00125777 0.00218494\n atom 45 type 2 force = 0.00126322 -0.00064418 -0.00045902\n atom 46 type 2 force = 0.00046162 0.00146443 0.00043681\n atom 47 type 1 force = 0.00070463 -0.00084824 -0.00113824\n atom 48 type 1 force = 0.00099132 -0.00124176 0.00142212\n atom 49 type 2 force = 0.00207204 0.00177520 0.00172085\n atom 50 type 2 force = 0.00187564 0.00029160 0.00000809\n\n Total force = 0.017366 Total SCF correction = 0.000047\n Energy error = 5.0E-04 Ry\n Gradient error = 4.9E-03 Ry/Bohr\n\n number of scf cycles = 68\n number of bfgs steps = 67\n\n energy old = -1655.7704633745 Ry\n energy new = -1655.7709618398 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0551116334 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8227233828 9.7355633233 9.3013385964\nN 10.5750473141 9.8942497306 8.1682106050\nO 9.5912466647 9.2619336191 8.5256619845\nO 10.6812240668 10.8468400652 7.4293557821\nN 13.1543325289 8.4687015105 9.2091237490\nN 12.3710821640 7.0755392498 10.5067278818\nO 12.3068431329 7.4685582974 11.6469983315\nO 12.1585661391 6.0316634245 9.9548962668\nN 14.4304288513 8.0395215038 9.6375332312\nN 15.2404992225 8.4437961811 6.8212113798\nO 14.7043730924 9.4608194091 6.4261700459\nO 15.8989819329 7.5868363336 6.2728511933\nN 15.1290103694 8.8395541992 10.3320133919\nN 16.4392564584 8.5107172290 10.3218936922\nN 16.6574866207 6.6102347990 9.9733831066\nO 17.3919572076 6.3722245916 9.0546204639\nO 16.0228784934 5.9328127055 10.7389614104\nN 17.2443332482 9.1254699076 11.1717954011\nN 17.4747249776 8.3110718280 12.8517992399\nO 17.8983449451 7.1804492427 12.7726854024\nO 17.1380873780 9.0073237414 13.7744613974\nC 18.4739183642 9.4655574924 10.5839066063\nN 19.5434618662 8.5690961639 9.9004584616\nN 19.5404826958 9.5715975519 8.6774073700\nN 20.6206507650 10.4056605360 9.4003531399\nN 19.5514944636 11.2917649233 10.0787985069\nN 19.5340021689 10.2834992933 11.3019205816\nN 20.6169703227 9.4506101609 10.5808421489\nC 18.4854974286 10.4107313180 9.3821757847\nN 17.2931360883 10.8326759590 8.7610889362\nN 17.4771322128 11.3925198220 7.1149398201\nO 17.1897188423 12.5599940206 6.9737548767\nO 17.8162390050 10.5222549733 6.3535444587\nN 16.4915585479 11.5414117691 9.5442033749\nN 16.8695168634 13.3897930954 9.9721209966\nO 16.2929493451 14.1737636278 9.2682358502\nO 17.6404766936 13.4853290191 10.8875583003\nN 15.1713133440 11.2834212821 9.4689962053\nN 14.4652243458 12.1161120387 10.1169620450\nN 15.2463732527 11.6039304967 12.9220227917\nO 16.0727233293 12.3249756568 13.4373962562\nO 14.3834789476 10.8689422223 13.3526419277\nN 13.1517285583 11.7525117029 10.4717138491\nN 12.4505515020 13.2237632225 9.0682698854\nO 12.5522496447 12.9005673782 7.9113208556\nO 12.1208378739 14.2251107901 9.6450237413\nN 12.7639224253 10.5041315474 10.3561416004\nN 10.5791408002 10.5774696836 11.4351254307\nO 9.5868196800 10.8674007963 10.7825902368\nO 10.6896954757 10.2072008233 12.5795951411\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 2761.2 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 27.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 2773.1 secs\n\n total energy = -1655.77070874 Ry\n estimated scf accuracy < 0.00386950 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 2777.2 secs\n\n total energy = -1655.76964566 Ry\n estimated scf accuracy < 0.20148886 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 2781.2 secs\n\n total energy = -1655.77103154 Ry\n estimated scf accuracy < 0.00117388 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.38E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 2785.4 secs\n\n total energy = -1655.77107019 Ry\n estimated scf accuracy < 0.00063433 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.37E-07, avg # of iterations = 8.0\n\n negative rho (up, down): 2.838E-02 0.000E+00\n\n total cpu time spent up to now is 2789.8 secs\n\n total energy = -1655.77115576 Ry\n estimated scf accuracy < 0.00018249 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.81E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 2794.9 secs\n\n total energy = -1655.77130202 Ry\n estimated scf accuracy < 0.00002961 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-08, avg # of iterations = 14.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 2800.8 secs\n\n total energy = -1655.77136085 Ry\n estimated scf accuracy < 0.00004367 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.838E-02 0.000E+00\n\n total cpu time spent up to now is 2805.1 secs\n\n total energy = -1655.77135538 Ry\n estimated scf accuracy < 0.00004387 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.838E-02 0.000E+00\n\n total cpu time spent up to now is 2809.4 secs\n\n total energy = -1655.77135328 Ry\n estimated scf accuracy < 0.00001635 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.10E-09, avg # of iterations = 3.0\n\n negative rho (up, down): 2.838E-02 0.000E+00\n\n total cpu time spent up to now is 2813.8 secs\n\n total energy = -1655.77135438 Ry\n estimated scf accuracy < 0.00000797 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.97E-09, avg # of iterations = 11.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 2818.5 secs\n\n total energy = -1655.77135694 Ry\n estimated scf accuracy < 0.00000465 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.74E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 2823.3 secs\n\n total energy = -1655.77135919 Ry\n estimated scf accuracy < 0.00000232 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.66E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.831E-02 0.000E+00\n\n total cpu time spent up to now is 2827.9 secs\n\n total energy = -1655.77135986 Ry\n estimated scf accuracy < 0.00000693 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.66E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 2832.4 secs\n\n total energy = -1655.77135997 Ry\n estimated scf accuracy < 0.00000391 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.66E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.826E-02 0.000E+00\n\n total cpu time spent up to now is 2836.8 secs\n\n total energy = -1655.77135914 Ry\n estimated scf accuracy < 0.00000270 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.66E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 2841.3 secs\n\n total energy = -1655.77135980 Ry\n estimated scf accuracy < 0.00000029 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-10, avg # of iterations = 16.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 2846.8 secs\n\n total energy = -1655.77136008 Ry\n estimated scf accuracy < 0.00000014 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.28E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 2851.5 secs\n\n total energy = -1655.77136016 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.17E-11, avg # of iterations = 6.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 2856.4 secs\n\n total energy = -1655.77136021 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 2861.2 secs\n\n total energy = -1655.77136025 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.29E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 2865.9 secs\n\n total energy = -1655.77136027 Ry\n estimated scf accuracy < 6.8E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.54E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 2870.6 secs\n\n total energy = -1655.77136029 Ry\n estimated scf accuracy < 5.6E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.10E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 2875.2 secs\n\n total energy = -1655.77136030 Ry\n estimated scf accuracy < 3.8E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.42E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 2879.8 secs\n\n total energy = -1655.77136030 Ry\n estimated scf accuracy < 4.2E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.42E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 2884.1 secs\n\n total energy = -1655.77136031 Ry\n estimated scf accuracy < 2.0E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.51E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 2888.9 secs\n\n total energy = -1655.77136031 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.35E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 2893.7 secs\n\n total energy = -1655.77136031 Ry\n estimated scf accuracy < 8.8E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.30E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 2898.0 secs\n\n total energy = -1655.77136033 Ry\n estimated scf accuracy < 5.4E-10 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.01E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 2902.6 secs\n\n total energy = -1655.77136033 Ry\n estimated scf accuracy < 5.2E-10 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.94E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2906.2 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8653 -32.8198 -32.8184 -32.7770 -32.6681 -32.5628 -32.1789 -32.1016\n -32.0681 -31.9580 -30.7154 -29.6637 -29.2651 -29.0083 -28.9464 -28.9173\n -28.8958 -28.8942 -28.8069 -28.6293 -28.4681 -28.3540 -28.1865 -28.0930\n -27.4666 -26.8666 -25.5799 -24.8093 -24.4214 -24.0346 -22.8387 -22.0127\n -20.7352 -19.2246 -18.7349 -18.2143 -18.0643 -17.5364 -17.4033 -17.3441\n -17.1271 -16.9452 -16.6108 -16.5727 -16.5510 -16.5218 -16.4283 -16.3877\n -15.7927 -15.7423 -15.5191 -15.3770 -15.1951 -15.1212 -15.0658 -14.9058\n -14.7789 -14.7400 -14.6399 -14.6044 -14.5411 -14.4994 -14.4689 -14.3947\n -14.3246 -14.2945 -14.2497 -14.2408 -14.2095 -14.1693 -14.0946 -14.0088\n -13.9838 -13.9479 -13.9189 -13.8711 -13.8326 -13.7786 -13.7315 -13.6954\n -13.6336 -13.5919 -13.2106 -13.0619 -12.7323 -12.4342 -12.1572 -12.0619\n -11.7980 -11.5097 -11.4375 -11.3541 -10.9548 -10.7859 -10.4533 -10.0418\n -9.9303 -9.8218 -9.7829 -9.6968 -9.6498 -9.6287 -9.5942 -9.5709\n -9.5163 -9.4134 -9.3730 -9.3663 -9.3329 -9.2421 -9.1789 -9.1126\n -9.0250 -8.9887 -8.9596 -8.9118 -8.8290 -8.8049 -8.6667 -8.5951\n -8.5041 -8.2505 -8.1436 -8.0942 -7.7532 -7.6217 -7.3459 -7.2382\n -7.0052 -6.8954 -6.4245 -6.3691 -6.3091 -6.0831 -6.0713 -5.8711\n -5.5507 -4.8980 -4.7556 -4.7362 -4.3697 -4.2623 -4.1775 -4.0710\n -4.0362 -3.9036 -3.8140 -3.6993 -3.6869 -3.6662 -3.6299 -3.5166\n -3.4219 -3.1850 -3.0905 -2.8453 -2.3992 -2.2686 -0.8269 -0.4034\n -0.1597\n\n the Fermi energy is -6.0772 ev\n\n! total energy = -1655.77136035 Ry\n total all-electron energy = -6224.603708 Ry\n estimated scf accuracy < 2.8E-10 Ry\n smearing contrib. (-TS) = -0.00560029 Ry\n internal energy E=F+TS = -1655.76576006 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18370.10998091 Ry\n hartree contribution = 9217.92101230 Ry\n xc contribution = -312.78142470 Ry\n ewald contribution = 8237.17732181 Ry\n DFT-D3 Dispersion = -0.16436532 Ry\n one-center paw contrib. = -427.80832325 Ry\n\n convergence has been achieved in 30 iterations\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00051739 -0.00161390 0.00206661\n atom 2 type 1 force = -0.00129092 -0.00157850 -0.00097728\n atom 3 type 2 force = 0.00097404 0.00030957 -0.00268444\n atom 4 type 2 force = -0.00002003 -0.00167190 -0.00006057\n atom 5 type 1 force = 0.00108735 -0.00127231 -0.00041195\n atom 6 type 1 force = -0.00006703 -0.00060561 0.00034975\n atom 7 type 2 force = -0.00145119 -0.00038184 0.00021943\n atom 8 type 2 force = -0.00130967 -0.00145909 0.00081438\n atom 9 type 1 force = -0.00090950 0.00248045 -0.00049849\n atom 10 type 1 force = 0.00022227 -0.00017238 0.00052680\n atom 11 type 2 force = 0.00131269 -0.00059204 0.00064069\n atom 12 type 2 force = -0.00079130 0.00041976 0.00041095\n atom 13 type 1 force = 0.00105090 0.00076379 0.00185577\n atom 14 type 1 force = 0.00093811 -0.00125420 -0.00078831\n atom 15 type 1 force = 0.00248479 -0.00401313 -0.00409822\n atom 16 type 2 force = 0.00001460 0.00309552 0.00074849\n atom 17 type 2 force = -0.00046753 0.00070887 0.00245696\n atom 18 type 1 force = -0.00205805 0.00134113 0.00131478\n atom 19 type 1 force = 0.00089120 0.00101190 0.00053163\n atom 20 type 2 force = -0.00218688 0.00147001 0.00151175\n atom 21 type 2 force = 0.00025108 -0.00106610 -0.00139072\n atom 22 type 3 force = -0.00227998 0.00013126 -0.00028058\n atom 23 type 1 force = 0.00091865 -0.00028689 -0.00257174\n atom 24 type 1 force = 0.00012711 0.00142760 -0.00016176\n atom 25 type 1 force = 0.00053520 0.00053437 0.00131810\n atom 26 type 1 force = 0.00034147 -0.00093567 0.00071248\n atom 27 type 1 force = -0.00111452 0.00129276 -0.00258350\n atom 28 type 1 force = -0.00068501 -0.00142291 0.00109749\n atom 29 type 3 force = -0.00062961 0.00052197 -0.00091455\n atom 30 type 1 force = -0.00119132 0.00083226 -0.00132814\n atom 31 type 1 force = 0.00386196 0.00330797 -0.00084132\n atom 32 type 2 force = -0.00276006 -0.00574100 -0.00042817\n atom 33 type 2 force = -0.00134584 0.00064054 -0.00207132\n atom 34 type 1 force = 0.00050928 -0.00034496 0.00158208\n atom 35 type 1 force = 0.00211289 0.00353317 0.00077220\n atom 36 type 2 force = -0.00067696 -0.00071358 0.00139986\n atom 37 type 2 force = -0.00227105 -0.00076358 -0.00104813\n atom 38 type 1 force = 0.00036899 -0.00074607 -0.00123651\n atom 39 type 1 force = -0.00139747 -0.00098528 0.00204085\n atom 40 type 1 force = -0.00140538 -0.00075446 -0.00043273\n atom 41 type 2 force = -0.00156071 -0.00144599 0.00021096\n atom 42 type 2 force = 0.00326239 0.00162970 -0.00035027\n atom 43 type 1 force = -0.00144824 0.00132202 -0.00179928\n atom 44 type 1 force = 0.00149489 0.00000988 0.00335632\n atom 45 type 2 force = 0.00101019 0.00024636 -0.00023728\n atom 46 type 2 force = 0.00033044 0.00176593 -0.00043449\n atom 47 type 1 force = 0.00176058 0.00054713 -0.00118379\n atom 48 type 1 force = 0.00192754 -0.00130243 0.00121069\n atom 49 type 2 force = 0.00056328 0.00149198 0.00154527\n atom 50 type 2 force = 0.00148373 0.00028796 0.00011925\n\n Total force = 0.018615 Total SCF correction = 0.000043\n Energy error = 4.0E-04 Ry\n Gradient error = 5.7E-03 Ry/Bohr\n\n number of scf cycles = 69\n number of bfgs steps = 68\n\n energy old = -1655.7709618398 Ry\n energy new = -1655.7713603532 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0508341484 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8242197194 9.7281203979 9.3030568079\nN 10.5732294800 9.8859383176 8.1676694759\nO 9.5878899475 9.2519510540 8.5164417431\nO 10.6816105326 10.8403363860 7.4313662894\nN 13.1563850044 8.4614255769 9.2063690728\nN 12.3752632935 7.0712068987 10.5128779097\nO 12.3031547061 7.4671341892 11.6519365238\nO 12.1752790489 6.0240576924 9.9615667072\nN 14.4343560718 8.0386161476 9.6307066799\nN 15.2488446718 8.4439830144 6.8273049299\nO 14.7087935284 9.4586289137 6.4313813060\nO 15.8970989136 7.5815969877 6.2748331073\nN 15.1299352030 8.8381928802 10.3291717340\nN 16.4412153083 8.5115460115 10.3176133333\nN 16.6661349911 6.6116429840 9.9660620195\nO 17.3978768211 6.3765807011 9.0452020923\nO 16.0326146053 5.9347236451 10.7318721112\nN 17.2409295577 9.1300273694 11.1699085520\nN 17.4762372941 8.3183622332 12.8555449064\nO 17.9025280088 7.1888726991 12.7803152238\nO 17.1439741577 9.0151399238 13.7785139562\nC 18.4700439197 9.4740892828 10.5823435999\nN 19.5419581736 8.5762891548 9.9028891107\nN 19.5379759459 9.5748628459 8.6747928013\nN 20.6187331415 10.4118926137 9.3953719185\nN 19.5478791782 11.2990862729 10.0704358580\nN 19.5305816385 10.2966801904 11.2960220500\nN 20.6149779592 9.4616339981 10.5795493554\nC 18.4821398806 10.4149737689 9.3764699933\nN 17.2908999619 10.8380452586 8.7548296411\nN 17.4676090386 11.3904152067 7.1101840971\nO 17.1639802956 12.5533775788 6.9695865924\nO 17.8121401902 10.5239270857 6.3473220951\nN 16.4926412237 11.5457871618 9.5440634018\nN 16.8653433946 13.3883364420 9.9764390341\nO 16.2883160324 14.1684749189 9.2698950146\nO 17.6283634965 13.4894248738 10.8972004133\nN 15.1724404299 11.2903016796 9.4680496979\nN 14.4658199210 12.1157335140 10.1257774139\nN 15.2493597563 11.6031676389 12.9182929767\nO 16.0745280852 12.3250819034 13.4325008094\nO 14.3893157012 10.8687011507 13.3530930767\nN 13.1527341710 11.7431719983 10.4803973896\nN 12.4509922942 13.2203880131 9.0715079913\nO 12.5507648362 12.8965335007 7.9138539663\nO 12.1229830354 14.2219799551 9.6494289189\nN 12.7691888145 10.4951284882 10.3574026398\nN 10.5782556238 10.5727429216 11.4403438485\nO 9.5857828376 10.8651175158 10.7881134824\nO 10.6893732014 10.2022493025 12.5849300634\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 2916.2 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 3 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2927.3 secs\n\n total energy = -1655.77119620 Ry\n estimated scf accuracy < 0.00199819 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.46E-07, avg # of iterations = 8.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 2931.6 secs\n\n total energy = -1655.77121413 Ry\n estimated scf accuracy < 0.01186190 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.46E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2935.7 secs\n\n total energy = -1655.77132458 Ry\n estimated scf accuracy < 0.00526744 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.46E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 2939.9 secs\n\n total energy = -1655.77139156 Ry\n estimated scf accuracy < 0.00042693 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.59E-07, avg # of iterations = 12.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 2944.9 secs\n\n total energy = -1655.77165794 Ry\n estimated scf accuracy < 0.00012617 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.71E-08, avg # of iterations = 6.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 2949.7 secs\n\n total energy = -1655.77171145 Ry\n estimated scf accuracy < 0.00008562 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.19E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 2954.0 secs\n\n total energy = -1655.77171972 Ry\n estimated scf accuracy < 0.00002001 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.47E-09, avg # of iterations = 15.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 2959.6 secs\n\n total energy = -1655.77173938 Ry\n estimated scf accuracy < 0.00000562 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.10E-09, avg # of iterations = 15.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 2965.0 secs\n\n total energy = -1655.77174379 Ry\n estimated scf accuracy < 0.00000544 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.03E-09, avg # of iterations = 7.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 2969.5 secs\n\n total energy = -1655.77174413 Ry\n estimated scf accuracy < 0.00000296 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.11E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 2973.9 secs\n\n total energy = -1655.77174433 Ry\n estimated scf accuracy < 0.00000112 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.18E-10, avg # of iterations = 12.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 2979.1 secs\n\n total energy = -1655.77174503 Ry\n estimated scf accuracy < 0.00000046 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 2984.0 secs\n\n total energy = -1655.77174524 Ry\n estimated scf accuracy < 0.00000049 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-10, avg # of iterations = 12.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 2988.6 secs\n\n total energy = -1655.77174531 Ry\n estimated scf accuracy < 0.00000009 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.29E-11, avg # of iterations = 15.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 2994.6 secs\n\n total energy = -1655.77174551 Ry\n estimated scf accuracy < 0.00000009 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.27E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 2999.0 secs\n\n total energy = -1655.77174553 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.89E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3004.0 secs\n\n total energy = -1655.77174555 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.78E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3009.0 secs\n\n total energy = -1655.77174556 Ry\n estimated scf accuracy < 6.1E-09 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.29E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3013.9 secs\n\n total energy = -1655.77174557 Ry\n estimated scf accuracy < 4.9E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.82E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3018.3 secs\n\n total energy = -1655.77174557 Ry\n estimated scf accuracy < 2.1E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.83E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3023.2 secs\n\n total energy = -1655.77174558 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.65E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3028.0 secs\n\n total energy = -1655.77174558 Ry\n estimated scf accuracy < 1.5E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.65E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3032.4 secs\n\n total energy = -1655.77174559 Ry\n estimated scf accuracy < 5.9E-10 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.21E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3036.0 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8850 -32.8359 -32.8351 -32.7952 -32.6640 -32.5487 -32.1979 -32.0964\n -32.0555 -31.9591 -30.7075 -29.6672 -29.2676 -29.0216 -28.9733 -28.9162\n -28.9046 -28.8981 -28.7992 -28.6365 -28.4728 -28.3446 -28.1773 -28.0891\n -27.4691 -26.8659 -25.5812 -24.8031 -24.4131 -24.0355 -22.8423 -22.0149\n -20.7424 -19.2188 -18.7282 -18.2151 -18.0840 -17.5253 -17.4202 -17.3512\n -17.1216 -16.9397 -16.6112 -16.5668 -16.5475 -16.5191 -16.4259 -16.3864\n -15.7896 -15.7439 -15.5296 -15.3858 -15.1920 -15.1242 -15.0611 -14.9076\n -14.7821 -14.7543 -14.6379 -14.6120 -14.5483 -14.4999 -14.4705 -14.3862\n -14.3202 -14.2985 -14.2664 -14.2463 -14.2112 -14.1676 -14.0841 -14.0064\n -13.9908 -13.9426 -13.9140 -13.8632 -13.8279 -13.7764 -13.7335 -13.6952\n -13.6325 -13.5887 -13.2116 -13.0649 -12.7375 -12.4401 -12.1617 -12.0668\n -11.8001 -11.5092 -11.4389 -11.3526 -10.9565 -10.7863 -10.4578 -10.0417\n -9.9302 -9.8194 -9.7819 -9.6950 -9.6482 -9.6352 -9.5952 -9.5707\n -9.5269 -9.4101 -9.3703 -9.3619 -9.3258 -9.2432 -9.1777 -9.1181\n -9.0298 -8.9961 -8.9615 -8.9090 -8.8256 -8.7990 -8.6712 -8.5949\n -8.5008 -8.2502 -8.1492 -8.0971 -7.7506 -7.6245 -7.3551 -7.2420\n -7.0073 -6.8970 -6.4218 -6.3652 -6.3075 -6.0861 -6.0739 -5.8772\n -5.5580 -4.9086 -4.7654 -4.7320 -4.3666 -4.2510 -4.1688 -4.0715\n -4.0401 -3.9108 -3.8163 -3.6941 -3.6771 -3.6637 -3.6286 -3.5166\n -3.4264 -3.1846 -3.0946 -2.8463 -2.4019 -2.2682 -0.8230 -0.4027\n -0.1600\n\n the Fermi energy is -6.0800 ev\n\n! total energy = -1655.77174560 Ry\n total all-electron energy = -6224.604093 Ry\n estimated scf accuracy < 3.6E-10 Ry\n smearing contrib. (-TS) = -0.00559763 Ry\n internal energy E=F+TS = -1655.76614797 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18372.32890764 Ry\n hartree contribution = 9219.02008524 Ry\n xc contribution = -312.78382508 Ry\n ewald contribution = 8238.29940110 Ry\n DFT-D3 Dispersion = -0.16441791 Ry\n one-center paw contrib. = -427.80848369 Ry\n\n convergence has been achieved in 24 iterations\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00088426 -0.00061155 0.00113375\n atom 2 type 1 force = -0.00129987 -0.00079647 -0.00187679\n atom 3 type 2 force = 0.00070297 -0.00041154 -0.00127645\n atom 4 type 2 force = -0.00046197 -0.00127782 -0.00013391\n atom 5 type 1 force = 0.00076854 0.00011604 0.00028545\n atom 6 type 1 force = 0.00049337 -0.00138056 -0.00045361\n atom 7 type 2 force = -0.00133003 -0.00086615 -0.00088289\n atom 8 type 2 force = -0.00173010 -0.00070706 0.00221139\n atom 9 type 1 force = -0.00043323 0.00096677 0.00014850\n atom 10 type 1 force = 0.00044574 -0.00048586 -0.00013958\n atom 11 type 2 force = 0.00112258 -0.00034115 0.00087645\n atom 12 type 2 force = -0.00084381 0.00042062 0.00079744\n atom 13 type 1 force = 0.00085489 -0.00010378 0.00075819\n atom 14 type 1 force = 0.00059412 0.00027820 0.00034572\n atom 15 type 1 force = 0.00167150 -0.00244274 -0.00402050\n atom 16 type 2 force = 0.00087783 0.00274773 0.00005508\n atom 17 type 2 force = -0.00091077 -0.00066798 0.00334772\n atom 18 type 1 force = -0.00034375 0.00208779 0.00081491\n atom 19 type 1 force = 0.00153285 0.00006477 0.00046875\n atom 20 type 2 force = -0.00182024 -0.00011309 0.00005583\n atom 21 type 2 force = -0.00088010 0.00132952 -0.00054308\n atom 22 type 3 force = -0.00095130 -0.00011716 -0.00056504\n atom 23 type 1 force = 0.00066153 0.00019385 -0.00338449\n atom 24 type 1 force = 0.00072153 0.00066405 0.00031133\n atom 25 type 1 force = 0.00056878 0.00054700 0.00101305\n atom 26 type 1 force = 0.00064295 -0.00075621 0.00022885\n atom 27 type 1 force = -0.00070455 0.00076721 -0.00144034\n atom 28 type 1 force = -0.00042026 -0.00168765 0.00126661\n atom 29 type 3 force = 0.00051299 0.00055069 -0.00035635\n atom 30 type 1 force = -0.00035355 -0.00050395 -0.00021160\n atom 31 type 1 force = 0.00240614 0.00448613 0.00002543\n atom 32 type 2 force = -0.00269419 -0.00406787 -0.00142150\n atom 33 type 2 force = -0.00072906 -0.00039768 -0.00146744\n atom 34 type 1 force = -0.00002735 -0.00067399 0.00025098\n atom 35 type 1 force = 0.00217110 0.00357677 0.00088135\n atom 36 type 2 force = -0.00176474 0.00107426 -0.00017625\n atom 37 type 2 force = -0.00092162 -0.00155820 0.00003612\n atom 38 type 1 force = -0.00140991 -0.00152595 0.00020583\n atom 39 type 1 force = -0.00072085 -0.00262097 0.00125725\n atom 40 type 1 force = -0.00129997 -0.00060692 -0.00037429\n atom 41 type 2 force = 0.00057192 0.00038522 0.00032276\n atom 42 type 2 force = 0.00099474 -0.00037254 -0.00044175\n atom 43 type 1 force = -0.00112156 0.00196163 -0.00277624\n atom 44 type 1 force = 0.00133902 -0.00024216 0.00251655\n atom 45 type 2 force = 0.00086495 0.00100972 0.00160469\n atom 46 type 2 force = 0.00054419 0.00120388 -0.00118569\n atom 47 type 1 force = 0.00179086 0.00085873 -0.00051359\n atom 48 type 1 force = 0.00119880 -0.00125977 0.00083223\n atom 49 type 2 force = -0.00030563 0.00078742 0.00202331\n atom 50 type 2 force = 0.00030874 0.00051873 -0.00043413\n\n Total force = 0.016122 Total SCF correction = 0.000047\n Energy error = 3.9E-04 Ry\n Gradient error = 4.5E-03 Ry/Bohr\n\n number of scf cycles = 70\n number of bfgs steps = 69\n\n energy old = -1655.7713603532 Ry\n energy new = -1655.7717456004 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0981125196 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8275054185 9.7155564884 9.3074235964\nN 10.5698358929 9.8724274327 8.1736283382\nO 9.5835941993 9.2345861007 8.5119497404\nO 10.6807608353 10.8334042363 7.4457231045\nN 13.1619536837 8.4491375026 9.2068107261\nN 12.3831914428 7.0623534934 10.5218007703\nO 12.3037903943 7.4636811720 11.6586355702\nO 12.1922635816 6.0107977741 9.9753205686\nN 14.4415515005 8.0339987780 9.6272991281\nN 15.2628686158 8.4393533219 6.8286747465\nO 14.7145246655 9.4487581272 6.4295529651\nO 15.8999868596 7.5716239343 6.2715551595\nN 15.1325461729 8.8357485545 10.3302083171\nN 16.4456217259 8.5175643621 10.3154978517\nN 16.6854149759 6.6148847484 9.9535250184\nO 17.4157662255 6.3916603364 9.0285227884\nO 16.0570561628 5.9337801574 10.7215482263\nN 17.2378936868 9.1447625178 11.1693063900\nN 17.4864475023 8.3314999099 12.8579948038\nO 17.9132470804 7.2017366437 12.7808885475\nO 17.1604049364 9.0266508266 13.7846971462\nC 18.4651833049 9.4917275332 10.5787444980\nN 19.5393461765 8.5899952337 9.9044565549\nN 19.5347250211 9.5807930751 8.6698633854\nN 20.6161951471 10.4228759443 9.3861099938\nN 19.5440065714 11.3133092647 10.0539243258\nN 19.5258940551 10.3220514328 11.2853134386\nN 20.6114623167 9.4798827575 10.5777649218\nC 18.4775077721 10.4246352834 9.3661027706\nN 17.2855214356 10.8467356790 8.7444454907\nN 17.4514624337 11.3919350378 7.1040999576\nO 17.1133171271 12.5474484012 6.9599087119\nO 17.8163379058 10.5273969114 6.3435740816\nN 16.4885277110 11.5512674206 9.5397553331\nN 16.8570181662 13.3898714828 9.9833570840\nO 16.2810140277 14.1709539325 9.2768954581\nO 17.6122819668 13.4863277495 10.9108841815\nN 15.1677231594 11.2942677424 9.4652855007\nN 14.4604707550 12.1131813830 10.1303926039\nN 15.2573616776 11.6028482628 12.9193427176\nO 16.0839727671 12.3277366045 13.4288487727\nO 14.3966338224 10.8745567005 13.3636792820\nN 13.1487034547 11.7320867642 10.4863912963\nN 12.4402266300 13.2091726367 9.0763493910\nO 12.5378840078 12.8853943182 7.9184507903\nO 12.1118739733 14.2107513038 9.6532863939\nN 12.7747442886 10.4809320606 10.3613053173\nN 10.5762476315 10.5585833922 11.4456331191\nO 9.5832165415 10.8511502796 10.7936727838\nO 10.6876076373 10.1938432523 12.5924000736\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 3046.2 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 35.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 3060.5 secs\n\n total energy = -1655.77168968 Ry\n estimated scf accuracy < 0.00556161 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.08E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 3064.5 secs\n\n total energy = -1655.77155313 Ry\n estimated scf accuracy < 0.00819646 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.08E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 3068.7 secs\n\n total energy = -1655.77123140 Ry\n estimated scf accuracy < 0.04892669 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.08E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3072.8 secs\n\n total energy = -1655.77164585 Ry\n estimated scf accuracy < 0.00092754 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.46E-07, avg # of iterations = 8.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3077.2 secs\n\n total energy = -1655.77177104 Ry\n estimated scf accuracy < 0.00024405 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.11E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 3082.5 secs\n\n total energy = -1655.77198000 Ry\n estimated scf accuracy < 0.00010251 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.82E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 3087.3 secs\n\n total energy = -1655.77200813 Ry\n estimated scf accuracy < 0.00005046 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.88E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3092.0 secs\n\n total energy = -1655.77201630 Ry\n estimated scf accuracy < 0.00003893 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-08, avg # of iterations = 11.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3096.8 secs\n\n total energy = -1655.77202833 Ry\n estimated scf accuracy < 0.00001509 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.63E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3101.6 secs\n\n total energy = -1655.77203495 Ry\n estimated scf accuracy < 0.00001087 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.06E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3106.0 secs\n\n total energy = -1655.77203577 Ry\n estimated scf accuracy < 0.00000689 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.57E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 3110.4 secs\n\n total energy = -1655.77203617 Ry\n estimated scf accuracy < 0.00000201 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.51E-10, avg # of iterations = 12.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 3115.6 secs\n\n total energy = -1655.77203770 Ry\n estimated scf accuracy < 0.00000066 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.46E-10, avg # of iterations = 14.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 3120.9 secs\n\n total energy = -1655.77203825 Ry\n estimated scf accuracy < 0.00000024 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.09E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 3126.0 secs\n\n total energy = -1655.77203841 Ry\n estimated scf accuracy < 0.00000028 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.09E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3130.5 secs\n\n total energy = -1655.77203845 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.34E-11, avg # of iterations = 16.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3136.4 secs\n\n total energy = -1655.77203851 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.12E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3140.7 secs\n\n total energy = -1655.77203852 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.99E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3145.5 secs\n\n total energy = -1655.77203854 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.99E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3149.9 secs\n\n total energy = -1655.77203854 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.02E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3154.2 secs\n\n total energy = -1655.77203855 Ry\n estimated scf accuracy < 4.6E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3159.0 secs\n\n total energy = -1655.77203856 Ry\n estimated scf accuracy < 2.8E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3163.8 secs\n\n total energy = -1655.77203857 Ry\n estimated scf accuracy < 1.9E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.25E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3168.5 secs\n\n total energy = -1655.77203858 Ry\n estimated scf accuracy < 1.3E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.82E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3172.9 secs\n\n total energy = -1655.77203859 Ry\n estimated scf accuracy < 1.6E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.82E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 3176.5 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8872 -32.8303 -32.7834 -32.7816 -32.6639 -32.5540 -32.1805 -32.0875\n -32.0435 -31.9586 -30.6954 -29.6685 -29.2642 -29.0396 -28.9958 -28.8997\n -28.8951 -28.8619 -28.7998 -28.6366 -28.4470 -28.3263 -28.1662 -28.0894\n -27.4695 -26.8626 -25.5758 -24.8008 -24.4018 -24.0329 -22.8433 -22.0126\n -20.7445 -19.2115 -18.7177 -18.2149 -18.1055 -17.5127 -17.4316 -17.3515\n -17.1141 -16.9370 -16.6088 -16.5604 -16.5431 -16.5142 -16.4269 -16.3854\n -15.7839 -15.7463 -15.5382 -15.3849 -15.1920 -15.1178 -15.0479 -14.9003\n -14.7837 -14.7525 -14.6383 -14.6094 -14.5373 -14.4987 -14.4642 -14.3892\n -14.3163 -14.3074 -14.2856 -14.2491 -14.2010 -14.1680 -14.0760 -13.9933\n -13.9753 -13.9323 -13.9036 -13.8538 -13.8207 -13.7767 -13.7235 -13.6890\n -13.6284 -13.5820 -13.2153 -13.0683 -12.7377 -12.4393 -12.1646 -12.0735\n -11.7968 -11.5073 -11.4334 -11.3554 -10.9558 -10.7892 -10.4543 -10.0403\n -9.9311 -9.8163 -9.7817 -9.6900 -9.6434 -9.6351 -9.5957 -9.5719\n -9.5382 -9.3971 -9.3681 -9.3530 -9.3205 -9.2488 -9.1813 -9.1208\n -9.0353 -9.0054 -8.9628 -8.9022 -8.8192 -8.7868 -8.6753 -8.5918\n -8.5012 -8.2561 -8.1553 -8.1021 -7.7497 -7.6311 -7.3635 -7.2421\n -7.0051 -6.9005 -6.4200 -6.3628 -6.3087 -6.0930 -6.0811 -5.8858\n -5.5650 -4.9219 -4.7941 -4.7353 -4.3720 -4.2480 -4.1741 -4.0827\n -4.0586 -3.9155 -3.8152 -3.6925 -3.6738 -3.6590 -3.6237 -3.5204\n -3.4328 -3.1802 -3.0972 -2.8515 -2.4064 -2.2677 -0.8056 -0.4028\n -0.1617\n\n the Fermi energy is -6.0870 ev\n\n! total energy = -1655.77203863 Ry\n total all-electron energy = -6224.604386 Ry\n estimated scf accuracy < 3.6E-10 Ry\n smearing contrib. (-TS) = -0.00559914 Ry\n internal energy E=F+TS = -1655.76643949 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18371.49748413 Ry\n hartree contribution = 9218.61230879 Ry\n xc contribution = -312.75684111 Ry\n ewald contribution = 8237.84920221 Ry\n DFT-D3 Dispersion = -0.16448296 Ry\n one-center paw contrib. = -427.80914228 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00141099 0.00008793 0.00021771\n atom 2 type 1 force = -0.00095401 0.00015234 -0.00294372\n atom 3 type 2 force = 0.00119361 -0.00044419 -0.00064858\n atom 4 type 2 force = -0.00166446 -0.00199180 0.00035409\n atom 5 type 1 force = 0.00031177 0.00131091 0.00103610\n atom 6 type 1 force = 0.00059859 -0.00185199 -0.00043763\n atom 7 type 2 force = -0.00111863 -0.00081854 -0.00133735\n atom 8 type 2 force = -0.00199793 -0.00053843 0.00238561\n atom 9 type 1 force = 0.00111017 0.00072592 0.00146786\n atom 10 type 1 force = 0.00016012 0.00018934 -0.00147836\n atom 11 type 2 force = 0.00101115 -0.00034490 0.00173798\n atom 12 type 2 force = -0.00047841 -0.00027537 0.00131477\n atom 13 type 1 force = 0.00018338 -0.00183410 -0.00127683\n atom 14 type 1 force = -0.00039083 0.00175518 0.00166175\n atom 15 type 1 force = 0.00004691 -0.00208330 -0.00188495\n atom 16 type 2 force = -0.00081154 0.00163350 0.00202218\n atom 17 type 2 force = 0.00204905 0.00033951 -0.00036624\n atom 18 type 1 force = 0.00130697 0.00193025 -0.00051257\n atom 19 type 1 force = 0.00170576 -0.00147734 0.00174855\n atom 20 type 2 force = -0.00235032 0.00097682 -0.00068066\n atom 21 type 2 force = -0.00090755 0.00170148 -0.00151496\n atom 22 type 3 force = 0.00072615 -0.00015438 -0.00064302\n atom 23 type 1 force = -0.00016593 0.00108258 -0.00268841\n atom 24 type 1 force = 0.00107843 0.00043043 0.00086846\n atom 25 type 1 force = 0.00027836 0.00011029 0.00066120\n atom 26 type 1 force = 0.00027008 -0.00062399 -0.00016413\n atom 27 type 1 force = -0.00023140 -0.00086423 -0.00036327\n atom 28 type 1 force = 0.00002462 -0.00091271 0.00023592\n atom 29 type 3 force = 0.00149993 0.00049677 -0.00002349\n atom 30 type 1 force = 0.00021877 -0.00095275 0.00103998\n atom 31 type 1 force = 0.00095330 0.00503123 -0.00324572\n atom 32 type 2 force = 0.00019130 -0.01102450 -0.00251010\n atom 33 type 2 force = -0.00298669 0.00696386 0.00334114\n atom 34 type 1 force = -0.00131149 -0.00090529 -0.00112230\n atom 35 type 1 force = 0.00157523 0.00297403 0.00061860\n atom 36 type 2 force = -0.00085305 0.00125754 0.00050493\n atom 37 type 2 force = -0.00098682 -0.00097412 -0.00067688\n atom 38 type 1 force = -0.00071810 -0.00215381 0.00105969\n atom 39 type 1 force = -0.00038830 -0.00309765 0.00080896\n atom 40 type 1 force = -0.00057580 0.00013207 0.00202742\n atom 41 type 2 force = -0.00016482 -0.00027608 -0.00103096\n atom 42 type 2 force = 0.00091693 -0.00050661 -0.00144328\n atom 43 type 1 force = -0.00054562 0.00145050 -0.00312691\n atom 44 type 1 force = 0.00145552 -0.00064277 0.00121317\n atom 45 type 2 force = 0.00122429 0.00064631 0.00171655\n atom 46 type 2 force = 0.00039446 0.00199963 0.00000939\n atom 47 type 1 force = 0.00119110 0.00143063 -0.00021508\n atom 48 type 1 force = 0.00060456 -0.00096469 0.00145815\n atom 49 type 2 force = -0.00089974 0.00030970 0.00192530\n atom 50 type 2 force = -0.00036810 0.00059476 -0.00110008\n\n Total force = 0.021154 Total SCF correction = 0.000046\n Energy error = 2.9E-04 Ry\n Gradient error = 1.1E-02 Ry/Bohr\n\n number of scf cycles = 71\n number of bfgs steps = 70\n\n energy old = -1655.7717456004 Ry\n energy new = -1655.7720386254 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0268707767 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8325942225 9.7132196271 9.3101476766\nN 10.5669405985 9.8660217714 8.1673695599\nO 9.5803233122 9.2276193169 8.5015635739\nO 10.6797421926 10.8271881076 7.4398124673\nN 13.1647554885 8.4464299112 9.2046396795\nN 12.3846505768 7.0561936473 10.5267579199\nO 12.2920051436 7.4607306144 11.6603770568\nO 12.2022344089 6.0030477654 9.9818559631\nN 14.4440848268 8.0336192648 9.6215569653\nN 15.2678989145 8.4399804001 6.8328288042\nO 14.7207334312 9.4502975711 6.4367788201\nO 15.8987928400 7.5693826701 6.2736728028\nN 15.1329860193 8.8316552659 10.3284265735\nN 16.4461491265 8.5165029643 10.3115329453\nN 16.6869151379 6.6077137094 9.9472568407\nO 17.4170412852 6.3855810573 9.0245012173\nO 16.0568334469 5.9351667211 10.7200850416\nN 17.2340898658 9.1468868314 11.1674155813\nN 17.4853280449 8.3338137938 12.8641929005\nO 17.9100216632 7.2032407036 12.7923644576\nO 17.1566339693 9.0318457063 13.7868686143\nC 18.4604578353 9.4941069275 10.5757601053\nN 19.5364423393 8.5926261000 9.8984894823\nN 19.5338358259 9.5853924359 8.6684499523\nN 20.6154931677 10.4246678690 9.3872170215\nN 19.5423183227 11.3135900946 10.0533039157\nN 19.5217420507 10.3240785309 11.2811950183\nN 20.6080774505 9.4791770856 10.5779318452\nC 18.4759329983 10.4276215999 9.3633401224\nN 17.2847717991 10.8508580412 8.7418953126\nN 17.4490119236 11.3916315064 7.0985581174\nO 17.1042718187 12.5403326961 6.9548321568\nO 17.8057796358 10.5295726629 6.3366729241\nN 16.4908235559 11.5545989751 9.5415637095\nN 16.8587599845 13.3961937621 9.9852688878\nO 16.2777271137 14.1710772544 9.2758203291\nO 17.6074577788 13.4949216113 10.9167687010\nN 15.1687233283 11.3001997212 9.4662094164\nN 14.4632358564 12.1132305556 10.1389254458\nN 15.2578294435 11.6040755207 12.9165894766\nO 16.0846121887 12.3269769598 13.4289511328\nO 14.4019494770 10.8701257314 13.3599736580\nN 13.1504743654 11.7311343929 10.4895973147\nN 12.4489823804 13.2125129508 9.0793087314\nO 12.5430488570 12.8901597052 7.9196780717\nO 12.1230893430 14.2164938709 9.6551433385\nN 12.7836531360 10.4776652234 10.3620216562\nN 10.5751215146 10.5584457756 11.4501916032\nO 9.5813850097 10.8553596155 10.8012516026\nO 10.6869300281 10.1927136623 12.5958872222\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 3186.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 1 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.770E-02 0.000E+00\n\n total cpu time spent up to now is 3196.8 secs\n\n total energy = -1655.77119496 Ry\n estimated scf accuracy < 0.00608231 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.27E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.773E-02 0.000E+00\n\n total cpu time spent up to now is 3200.9 secs\n\n total energy = -1655.76977000 Ry\n estimated scf accuracy < 0.28804484 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.27E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.741E-02 0.000E+00\n\n total cpu time spent up to now is 3205.0 secs\n\n total energy = -1655.77188035 Ry\n estimated scf accuracy < 0.00076878 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.87E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.712E-02 0.000E+00\n\n total cpu time spent up to now is 3209.3 secs\n\n total energy = -1655.77196897 Ry\n estimated scf accuracy < 0.00035293 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.32E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.711E-02 0.000E+00\n\n total cpu time spent up to now is 3214.3 secs\n\n total energy = -1655.77219204 Ry\n estimated scf accuracy < 0.00051642 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.32E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.713E-02 0.000E+00\n\n total cpu time spent up to now is 3218.5 secs\n\n total energy = -1655.77220675 Ry\n estimated scf accuracy < 0.00021634 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.07E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.711E-02 0.000E+00\n\n total cpu time spent up to now is 3222.8 secs\n\n total energy = -1655.77221711 Ry\n estimated scf accuracy < 0.00001929 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.20E-09, avg # of iterations = 13.0\n\n negative rho (up, down): 2.718E-02 0.000E+00\n\n total cpu time spent up to now is 3229.0 secs\n\n total energy = -1655.77226706 Ry\n estimated scf accuracy < 0.00009467 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.20E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.737E-02 0.000E+00\n\n total cpu time spent up to now is 3233.3 secs\n\n total energy = -1655.77226531 Ry\n estimated scf accuracy < 0.00004800 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.20E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.754E-02 0.000E+00\n\n total cpu time spent up to now is 3237.5 secs\n\n total energy = -1655.77226567 Ry\n estimated scf accuracy < 0.00001163 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.34E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.762E-02 0.000E+00\n\n total cpu time spent up to now is 3241.8 secs\n\n total energy = -1655.77226616 Ry\n estimated scf accuracy < 0.00000056 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 3 eigenvalues not converged\n ethr = 2.10E-10, avg # of iterations = 20.0\n\n negative rho (up, down): 2.761E-02 0.000E+00\n\n total cpu time spent up to now is 3249.7 secs\n\n total energy = -1655.77226946 Ry\n estimated scf accuracy < 0.00000175 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.10E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.766E-02 0.000E+00\n\n total cpu time spent up to now is 3254.0 secs\n\n total energy = -1655.77226930 Ry\n estimated scf accuracy < 0.00000170 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.10E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.771E-02 0.000E+00\n\n total cpu time spent up to now is 3258.3 secs\n\n total energy = -1655.77226925 Ry\n estimated scf accuracy < 0.00000069 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.10E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 3262.6 secs\n\n total energy = -1655.77226922 Ry\n estimated scf accuracy < 0.00000025 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.20E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 3267.0 secs\n\n total energy = -1655.77226918 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.78E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 3272.1 secs\n\n total energy = -1655.77226921 Ry\n estimated scf accuracy < 0.00000007 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.75E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 3276.4 secs\n\n total energy = -1655.77226916 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.81E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 3280.8 secs\n\n total energy = -1655.77226910 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.78E-12, avg # of iterations = 15.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 3285.7 secs\n\n total energy = -1655.77226910 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.78E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 3290.2 secs\n\n total energy = -1655.77226905 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.91E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 3294.5 secs\n\n total energy = -1655.77226902 Ry\n estimated scf accuracy < 5.4E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.00E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 3299.7 secs\n\n total energy = -1655.77226902 Ry\n estimated scf accuracy < 5.7E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.00E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 3304.0 secs\n\n total energy = -1655.77226901 Ry\n estimated scf accuracy < 2.5E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.23E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 3308.4 secs\n\n total energy = -1655.77226899 Ry\n estimated scf accuracy < 3.3E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.23E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 3312.7 secs\n\n total energy = -1655.77226898 Ry\n estimated scf accuracy < 6.7E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.51E-13, avg # of iterations = 14.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 3318.2 secs\n\n total energy = -1655.77226898 Ry\n estimated scf accuracy < 7.4E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.51E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 3322.5 secs\n\n total energy = -1655.77226897 Ry\n estimated scf accuracy < 6.2E-10 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.30E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3326.1 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9088 -32.8748 -32.8631 -32.7864 -32.6821 -32.5231 -32.1769 -32.1021\n -32.0381 -31.9599 -30.6982 -29.6774 -29.2696 -29.0687 -29.0566 -28.9267\n -28.9149 -28.8928 -28.7633 -28.6383 -28.4377 -28.3415 -28.1551 -28.0892\n -27.4674 -26.8612 -25.5689 -24.8106 -24.3902 -24.0314 -22.8468 -22.0000\n -20.7454 -19.1984 -18.6990 -18.2014 -18.0938 -17.4848 -17.4215 -17.3450\n -17.0978 -16.9282 -16.6019 -16.5534 -16.5345 -16.5106 -16.4187 -16.3795\n -15.7744 -15.7456 -15.5471 -15.3923 -15.1978 -15.1240 -15.0411 -14.8994\n -14.7837 -14.7741 -14.6590 -14.6068 -14.5535 -14.5069 -14.4623 -14.3657\n -14.3315 -14.3197 -14.2954 -14.2530 -14.2117 -14.1507 -14.0603 -13.9850\n -13.9684 -13.9387 -13.9144 -13.8445 -13.8086 -13.7736 -13.7191 -13.6881\n -13.6333 -13.5819 -13.2228 -13.0772 -12.7451 -12.4488 -12.1683 -12.0833\n -11.8024 -11.4991 -11.4313 -11.3589 -10.9536 -10.7933 -10.4607 -10.0330\n -9.9281 -9.8100 -9.7847 -9.6871 -9.6484 -9.6396 -9.5993 -9.5582\n -9.5523 -9.3889 -9.3677 -9.3582 -9.3072 -9.2535 -9.1936 -9.1198\n -9.0433 -9.0074 -8.9582 -8.9045 -8.8185 -8.7942 -8.6740 -8.5815\n -8.4993 -8.2571 -8.1500 -8.0928 -7.7366 -7.6273 -7.3576 -7.2335\n -6.9905 -6.8906 -6.4063 -6.3505 -6.2998 -6.0893 -6.0767 -5.8894\n -5.5685 -4.9260 -4.8076 -4.7360 -4.3683 -4.2237 -4.1407 -4.0836\n -4.0583 -3.9081 -3.8142 -3.6778 -3.6645 -3.6570 -3.6060 -3.5133\n -3.4323 -3.1748 -3.0897 -2.8469 -2.3940 -2.2610 -0.7591 -0.4019\n -0.1612\n\n the Fermi energy is -6.0830 ev\n\n! total energy = -1655.77226895 Ry\n total all-electron energy = -6224.604617 Ry\n estimated scf accuracy < 2.5E-10 Ry\n smearing contrib. (-TS) = -0.00559537 Ry\n internal energy E=F+TS = -1655.76667357 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18368.69550574 Ry\n hartree contribution = 9217.22282517 Ry\n xc contribution = -312.78250675 Ry\n ewald contribution = 8236.46217976 Ry\n DFT-D3 Dispersion = -0.16446944 Ry\n one-center paw contrib. = -427.80919657 Ry\n\n convergence has been achieved in 29 iterations\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00197552 0.00054123 -0.00149950\n atom 2 type 1 force = 0.00028546 0.00117453 -0.00311389\n atom 3 type 2 force = 0.00077567 -0.00097478 0.00037285\n atom 4 type 2 force = -0.00172347 -0.00180216 0.00037293\n atom 5 type 1 force = -0.00063069 0.00194810 0.00129902\n atom 6 type 1 force = 0.00089899 -0.00068736 -0.00221768\n atom 7 type 2 force = -0.00071057 0.00037391 0.00120808\n atom 8 type 2 force = -0.00229396 -0.00265586 0.00117609\n atom 9 type 1 force = 0.00028539 -0.00253467 0.00049189\n atom 10 type 1 force = 0.00040966 -0.00076459 -0.00014708\n atom 11 type 2 force = 0.00030421 0.00100566 0.00095735\n atom 12 type 2 force = -0.00007023 -0.00072856 0.00077508\n atom 13 type 1 force = 0.00124596 0.00033342 -0.00038886\n atom 14 type 1 force = -0.00025315 0.00229180 0.00227517\n atom 15 type 1 force = -0.00217805 0.00322697 0.00173195\n atom 16 type 2 force = 0.00131064 -0.00076941 -0.00097582\n atom 17 type 2 force = 0.00199529 -0.00242836 -0.00048259\n atom 18 type 1 force = 0.00286468 0.00142349 -0.00162287\n atom 19 type 1 force = 0.00113765 -0.00162475 0.00031239\n atom 20 type 2 force = -0.00181124 0.00014095 -0.00124903\n atom 21 type 2 force = -0.00117401 0.00291930 0.00013115\n atom 22 type 3 force = 0.00219810 -0.00066457 -0.00027900\n atom 23 type 1 force = -0.00075573 0.00041918 -0.00095215\n atom 24 type 1 force = 0.00075064 0.00005368 -0.00032103\n atom 25 type 1 force = -0.00006373 0.00040013 -0.00054865\n atom 26 type 1 force = 0.00003454 0.00098465 -0.00028424\n atom 27 type 1 force = 0.00067283 -0.00225426 0.00219219\n atom 28 type 1 force = 0.00071304 -0.00016609 -0.00047967\n atom 29 type 3 force = 0.00124585 0.00048125 -0.00010565\n atom 30 type 1 force = 0.00156023 -0.00237061 0.00184792\n atom 31 type 1 force = -0.00140356 0.00167275 0.00214527\n atom 32 type 2 force = -0.00287315 0.00239817 -0.00331986\n atom 33 type 2 force = 0.00123718 -0.00152395 -0.00115377\n atom 34 type 1 force = -0.00179629 -0.00073211 -0.00199610\n atom 35 type 1 force = -0.00118070 0.00115629 -0.00087711\n atom 36 type 2 force = 0.00045535 0.00199747 0.00138142\n atom 37 type 2 force = 0.00014180 0.00007985 -0.00022936\n atom 38 type 1 force = 0.00069921 -0.00363038 0.00089570\n atom 39 type 1 force = -0.00040465 -0.00146508 0.00058497\n atom 40 type 1 force = 0.00015295 0.00073811 0.00249744\n atom 41 type 2 force = -0.00000509 -0.00013091 -0.00147158\n atom 42 type 2 force = 0.00001872 -0.00123983 -0.00150890\n atom 43 type 1 force = 0.00003835 0.00055746 -0.00247357\n atom 44 type 1 force = 0.00027619 0.00116330 -0.00106979\n atom 45 type 2 force = 0.00127678 0.00042692 0.00377256\n atom 46 type 2 force = 0.00100411 -0.00000083 -0.00011083\n atom 47 type 1 force = -0.00030556 0.00173679 0.00074837\n atom 48 type 1 force = 0.00028299 -0.00030561 -0.00008652\n atom 49 type 2 force = -0.00214751 0.00006319 0.00060417\n atom 50 type 2 force = -0.00051561 -0.00025384 0.00119114\n\n Total force = 0.017230 Total SCF correction = 0.000035\n Energy error = 2.3E-04 Ry\n Gradient error = 3.8E-03 Ry/Bohr\n\n number of scf cycles = 72\n number of bfgs steps = 71\n\n energy old = -1655.7720386254 Ry\n energy new = -1655.7722689456 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0484256968 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8307781704 9.7072061125 9.3119197211\nN 10.5652734394 9.8607205951 8.1701516614\nO 9.5799588901 9.2202183093 8.5030596784\nO 10.6771800529 10.8248868459 7.4475676759\nN 13.1676348255 8.4418917806 9.2069814349\nN 12.3895197364 7.0520657215 10.5294025196\nO 12.2949647967 7.4595668723 11.6623978984\nO 12.2054453156 5.9962899322 9.9890501415\nN 14.4485390329 8.0309197702 9.6220076762\nN 15.2738784406 8.4370706539 6.8321128694\nO 14.7224922734 9.4451221418 6.4346331946\nO 15.9008024654 7.5639672418 6.2718044286\nN 15.1354230615 8.8304248171 10.3304474875\nN 16.4486353887 8.5219841358 10.3133414249\nN 16.6961774184 6.6114763089 9.9420337881\nO 17.4264701432 6.3960558492 9.0173107589\nO 16.0712985306 5.9334064691 10.7154046570\nN 17.2355915689 9.1563902810 11.1675840224\nN 17.4922123971 8.3398234813 12.8643426815\nO 17.9145193382 7.2089469606 12.7886718855\nO 17.1654489241 9.0381966424 13.7879016444\nC 18.4604487361 9.5022529838 10.5740739331\nN 19.5357954351 8.5996507634 9.8982431601\nN 19.5330276281 9.5880752565 8.6662487484\nN 20.6142632087 10.4306244306 9.3823844285\nN 19.5407587626 11.3210265755 10.0452661674\nN 19.5205412489 10.3352746429 11.2771981826\nN 20.6072047100 9.4879202043 10.5766174934\nC 18.4748824217 10.4323490817 9.3586991511\nN 17.2823499389 10.8522434150 8.7382964581\nN 17.4410083041 11.3933963134 7.0969112930\nO 17.0795123727 12.5380139523 6.9486455900\nO 17.8101895891 10.5324155387 6.3368546714\nN 16.4866996594 11.5553749554 9.5378145806\nN 16.8542927714 13.3972435617 9.9882029165\nO 16.2742590263 14.1742833277 9.2805353843\nO 17.6004764058 13.4903722466 10.9220464531\nN 15.1660287508 11.2977531572 9.4650011257\nN 14.4592725055 12.1098192351 10.1396098215\nN 15.2618304324 11.6035746578 12.9194038884\nO 16.0895804516 12.3287524919 13.4265067005\nO 14.4045924983 10.8736972358 13.3655112251\nN 13.1473359393 11.7274686929 10.4883274670\nN 12.4417691987 13.2058863320 9.0825602333\nO 12.5360487834 12.8831149259 7.9234917297\nO 12.1141577862 14.2103387419 9.6563049367\nN 12.7839692438 10.4730808638 10.3636101426\nN 10.5744885680 10.5502232066 11.4518594519\nO 9.5796593260 10.8460356140 10.8033043730\nO 10.6860051311 10.1887849319 12.5991447755\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 3336.2 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 22.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 3347.6 secs\n\n total energy = -1655.77131866 Ry\n estimated scf accuracy < 0.00777827 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.90E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 3351.8 secs\n\n total energy = -1655.76946797 Ry\n estimated scf accuracy < 0.39007680 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.90E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3355.9 secs\n\n total energy = -1655.77217889 Ry\n estimated scf accuracy < 0.00057067 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.13E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 3360.6 secs\n\n total energy = -1655.77237548 Ry\n estimated scf accuracy < 0.00092244 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.13E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3364.8 secs\n\n total energy = -1655.77241699 Ry\n estimated scf accuracy < 0.00043369 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3369.1 secs\n\n total energy = -1655.77244216 Ry\n estimated scf accuracy < 0.00005305 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.98E-08, avg # of iterations = 14.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 3374.8 secs\n\n total energy = -1655.77253723 Ry\n estimated scf accuracy < 0.00014844 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.98E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 3379.2 secs\n\n total energy = -1655.77253722 Ry\n estimated scf accuracy < 0.00012730 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.98E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3383.4 secs\n\n total energy = -1655.77253190 Ry\n estimated scf accuracy < 0.00010058 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.98E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3387.7 secs\n\n total energy = -1655.77253255 Ry\n estimated scf accuracy < 0.00006012 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.98E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3391.9 secs\n\n total energy = -1655.77253331 Ry\n estimated scf accuracy < 0.00000516 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.92E-09, avg # of iterations = 14.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3397.5 secs\n\n total energy = -1655.77253988 Ry\n estimated scf accuracy < 0.00000629 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.92E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3401.8 secs\n\n total energy = -1655.77253908 Ry\n estimated scf accuracy < 0.00000345 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.29E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3406.4 secs\n\n total energy = -1655.77253986 Ry\n estimated scf accuracy < 0.00000230 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.59E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3410.7 secs\n\n total energy = -1655.77253996 Ry\n estimated scf accuracy < 0.00000083 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3415.8 secs\n\n total energy = -1655.77254048 Ry\n estimated scf accuracy < 0.00000056 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.08E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3420.2 secs\n\n total energy = -1655.77254054 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.69E-11, avg # of iterations = 14.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3425.6 secs\n\n total energy = -1655.77254066 Ry\n estimated scf accuracy < 0.00000017 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.69E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3429.9 secs\n\n total energy = -1655.77254068 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.83E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3435.0 secs\n\n total energy = -1655.77254072 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.21E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3439.4 secs\n\n total energy = -1655.77254073 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.72E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3443.7 secs\n\n total energy = -1655.77254074 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.72E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3448.2 secs\n\n total energy = -1655.77254075 Ry\n estimated scf accuracy < 7.6E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.84E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3453.3 secs\n\n total energy = -1655.77254076 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.84E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3457.6 secs\n\n total energy = -1655.77254076 Ry\n estimated scf accuracy < 5.1E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.90E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3462.2 secs\n\n total energy = -1655.77254077 Ry\n estimated scf accuracy < 1.6E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.12E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3467.5 secs\n\n total energy = -1655.77254077 Ry\n estimated scf accuracy < 1.1E-09 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.20E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3471.9 secs\n\n total energy = -1655.77254078 Ry\n estimated scf accuracy < 3.7E-10 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.40E-13, avg # of iterations = 16.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3477.3 secs\n\n total energy = -1655.77254078 Ry\n estimated scf accuracy < 2.7E-10 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.01E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 3481.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9128 -32.8606 -32.8302 -32.7875 -32.6603 -32.5287 -32.1910 -32.0873\n -32.0271 -31.9731 -30.6983 -29.6759 -29.2684 -29.0825 -29.0526 -28.9041\n -28.8916 -28.8878 -28.7628 -28.6385 -28.4558 -28.3266 -28.1455 -28.0972\n -27.4689 -26.8574 -25.5720 -24.8147 -24.3931 -24.0353 -22.8461 -22.0094\n -20.7467 -19.2006 -18.7032 -18.2061 -18.0989 -17.4838 -17.4241 -17.3391\n -17.0954 -16.9292 -16.6001 -16.5581 -16.5310 -16.5070 -16.4181 -16.3796\n -15.7751 -15.7501 -15.5483 -15.3887 -15.2015 -15.1209 -15.0395 -14.8958\n -14.7820 -14.7676 -14.6533 -14.6092 -14.5490 -14.4920 -14.4635 -14.3695\n -14.3350 -14.3276 -14.3007 -14.2391 -14.2027 -14.1487 -14.0585 -13.9947\n -13.9795 -13.9304 -13.9029 -13.8378 -13.8009 -13.7767 -13.7246 -13.6902\n -13.6312 -13.5807 -13.2245 -13.0762 -12.7465 -12.4459 -12.1715 -12.0849\n -11.8009 -11.4996 -11.4308 -11.3640 -10.9546 -10.7975 -10.4569 -10.0370\n -9.9277 -9.8118 -9.7859 -9.6908 -9.6407 -9.6309 -9.5975 -9.5574\n -9.5516 -9.3986 -9.3698 -9.3517 -9.3035 -9.2592 -9.1988 -9.1079\n -9.0460 -9.0039 -8.9549 -8.9086 -8.8268 -8.7863 -8.6737 -8.5725\n -8.5021 -8.2584 -8.1496 -8.0966 -7.7366 -7.6300 -7.3600 -7.2348\n -6.9871 -6.8924 -6.4040 -6.3534 -6.3018 -6.0881 -6.0756 -5.8870\n -5.5671 -4.9278 -4.8199 -4.7439 -4.3751 -4.2275 -4.1469 -4.0904\n -4.0628 -3.9047 -3.8103 -3.6771 -3.6672 -3.6545 -3.6083 -3.5117\n -3.4316 -3.1742 -3.0884 -2.8496 -2.3925 -2.2596 -0.7585 -0.4021\n -0.1619\n\n the Fermi energy is -6.0818 ev\n\n! total energy = -1655.77254080 Ry\n total all-electron energy = -6224.604889 Ry\n estimated scf accuracy < 2.0E-10 Ry\n smearing contrib. (-TS) = -0.00559566 Ry\n internal energy E=F+TS = -1655.76694514 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18368.80748994 Ry\n hartree contribution = 9217.28011055 Ry\n xc contribution = -312.77413021 Ry\n ewald contribution = 8236.50822587 Ry\n DFT-D3 Dispersion = -0.16453929 Ry\n one-center paw contrib. = -427.80912212 Ry\n\n convergence has been achieved in 30 iterations\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00159849 0.00043209 -0.00133761\n atom 2 type 1 force = 0.00083265 0.00027982 -0.00221008\n atom 3 type 2 force = -0.00011197 -0.00124612 0.00041367\n atom 4 type 2 force = -0.00100105 -0.00075367 -0.00053165\n atom 5 type 1 force = -0.00065878 0.00142330 0.00086399\n atom 6 type 1 force = 0.00004960 -0.00169612 -0.00098167\n atom 7 type 2 force = -0.00044291 0.00034670 0.00019423\n atom 8 type 2 force = -0.00184274 -0.00143787 0.00108693\n atom 9 type 1 force = 0.00052387 -0.00143980 0.00128839\n atom 10 type 1 force = 0.00026665 -0.00039273 -0.00082444\n atom 11 type 2 force = 0.00077724 0.00017328 0.00132753\n atom 12 type 2 force = -0.00041352 -0.00025696 0.00111078\n atom 13 type 1 force = 0.00031941 0.00046766 -0.00076680\n atom 14 type 1 force = -0.00011626 0.00168632 0.00187305\n atom 15 type 1 force = -0.00202538 0.00229720 0.00239245\n atom 16 type 2 force = 0.00018421 -0.00087242 0.00009468\n atom 17 type 2 force = 0.00314787 -0.00113577 -0.00222718\n atom 18 type 1 force = 0.00172776 0.00030017 -0.00137193\n atom 19 type 1 force = 0.00037539 -0.00004851 0.00016503\n atom 20 type 2 force = -0.00175108 -0.00007763 -0.00057170\n atom 21 type 2 force = -0.00061595 0.00169632 -0.00017523\n atom 22 type 3 force = 0.00239197 0.00017668 -0.00078767\n atom 23 type 1 force = -0.00056015 0.00021751 -0.00002815\n atom 24 type 1 force = 0.00076302 0.00050268 -0.00047713\n atom 25 type 1 force = -0.00002891 -0.00009225 -0.00031810\n atom 26 type 1 force = 0.00022680 0.00066151 0.00024100\n atom 27 type 1 force = 0.00098179 -0.00228021 0.00166154\n atom 28 type 1 force = 0.00045930 0.00029584 -0.00132506\n atom 29 type 3 force = 0.00124813 0.00025364 0.00030897\n atom 30 type 1 force = 0.00041554 -0.00094106 0.00153548\n atom 31 type 1 force = -0.00132117 0.00149586 -0.00110982\n atom 32 type 2 force = -0.00140713 -0.00216303 -0.00252742\n atom 33 type 2 force = -0.00015429 0.00246560 0.00132299\n atom 34 type 1 force = -0.00114803 -0.00097310 -0.00190775\n atom 35 type 1 force = -0.00170171 0.00012003 -0.00104731\n atom 36 type 2 force = 0.00080623 0.00204387 0.00155493\n atom 37 type 2 force = 0.00031904 0.00068012 -0.00024850\n atom 38 type 1 force = -0.00022261 -0.00268736 0.00159265\n atom 39 type 1 force = 0.00096421 -0.00145629 -0.00060904\n atom 40 type 1 force = 0.00058923 0.00112891 0.00127118\n atom 41 type 2 force = 0.00001823 -0.00009998 -0.00092204\n atom 42 type 2 force = -0.00050718 -0.00168445 -0.00083077\n atom 43 type 1 force = 0.00045382 0.00048794 -0.00166745\n atom 44 type 1 force = 0.00026180 0.00144582 -0.00102340\n atom 45 type 2 force = 0.00153278 -0.00013618 0.00256875\n atom 46 type 2 force = 0.00099862 0.00031144 0.00075922\n atom 47 type 1 force = -0.00113900 0.00081305 0.00052254\n atom 48 type 1 force = -0.00052634 0.00008629 0.00019641\n atom 49 type 2 force = -0.00101457 -0.00013560 0.00063649\n atom 50 type 2 force = -0.00032593 -0.00028254 0.00084498\n\n Total force = 0.014118 Total SCF correction = 0.000031\n Energy error = 2.7E-04 Ry\n Gradient error = 3.1E-03 Ry/Bohr\n\n number of scf cycles = 73\n number of bfgs steps = 72\n\n energy old = -1655.7722689456 Ry\n energy new = -1655.7725408006 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0532682664 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8276300294 9.7004521652 9.3128673402\nN 10.5637746952 9.8539130636 8.1720828734\nO 9.5793068398 9.2110298506 8.5028100875\nO 10.6752225869 10.8217873935 7.4547951482\nN 13.1702435700 8.4369347685 9.2095446765\nN 12.3933765808 7.0463963910 10.5327673242\nO 12.2964295284 7.4576568930 11.6646376379\nO 12.2074078893 5.9880682825 9.9974768338\nN 14.4528586474 8.0275243387 9.6236123854\nN 15.2804257529 8.4335377095 6.8306439756\nO 14.7255448856 9.4397170275 6.4331409325\nO 15.9031693722 7.5579223008 6.2699369118\nN 15.1374983268 8.8293528018 10.3327604270\nN 16.4507527382 8.5275023035 10.3162786561\nN 16.7054999763 6.6149596184 9.9367603910\nO 17.4365602205 6.4066961414 9.0104779502\nO 16.0880509485 5.9295584585 10.7104649868\nN 17.2375609151 9.1654493033 11.1673221361\nN 17.4990540608 8.3462955202 12.8648090925\nO 17.9174267901 7.2142890510 12.7854133589\nO 17.1740795316 9.0454258161 13.7890236074\nC 18.4610673611 9.5108308972 10.5713714780\nN 19.5350127774 8.6073552158 9.8968070515\nN 19.5325301845 9.5922559953 8.6635207425\nN 20.6131310090 10.4372734164 9.3776460486\nN 19.5392047580 11.3288956148 10.0378768134\nN 19.5196271685 10.3455291151 11.2733256576\nN 20.6064485281 9.4968693196 10.5742065401\nC 18.4741873673 10.4377411825 9.3540272986\nN 17.2797858749 10.8539531828 8.7345755275\nN 17.4324360228 11.3953477781 7.0936765077\nO 17.0526480187 12.5341935701 6.9410105135\nO 17.8142170381 10.5365899480 6.3356705821\nN 16.4823755469 11.5563081249 9.5328838094\nN 16.8498609232 13.3993590832 9.9915806332\nO 16.2702906363 14.1793107115 9.2865625358\nO 17.5939360158 13.4874833111 10.9276968060\nN 15.1629043094 11.2954662627 9.4637913696\nN 14.4560380684 12.1064689071 10.1402952898\nN 15.2660926358 11.6037445059 12.9228804433\nO 16.0952967041 12.3306015143 13.4248788477\nO 14.4077723692 10.8765632666 13.3712116865\nN 13.1443501218 11.7239744930 10.4861104387\nN 12.4350365570 13.2008787597 9.0862336124\nO 12.5299997388 12.8762600234 7.9283423201\nO 12.1057002272 14.2060574197 9.6574881241\nN 12.7846059607 10.4682744767 10.3647623404\nN 10.5735381367 10.5415846140 11.4543961905\nO 9.5775716732 10.8372967328 10.8071002142\nO 10.6851534249 10.1847416178 12.6032455771\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 3491.4 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 5 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 3502.2 secs\n\n total energy = -1655.77198215 Ry\n estimated scf accuracy < 0.00381492 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.42E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 3506.4 secs\n\n total energy = -1655.77079675 Ry\n estimated scf accuracy < 0.23466341 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.42E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 3510.5 secs\n\n total energy = -1655.77243485 Ry\n estimated scf accuracy < 0.00075972 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.83E-07, avg # of iterations = 8.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 3515.0 secs\n\n total energy = -1655.77259537 Ry\n estimated scf accuracy < 0.00064238 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.40E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 3519.2 secs\n\n total energy = -1655.77264334 Ry\n estimated scf accuracy < 0.00018783 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.01E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 3524.3 secs\n\n total energy = -1655.77278970 Ry\n estimated scf accuracy < 0.00006243 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.33E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 3529.2 secs\n\n total energy = -1655.77281843 Ry\n estimated scf accuracy < 0.00002734 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 3534.1 secs\n\n total energy = -1655.77282914 Ry\n estimated scf accuracy < 0.00002525 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.42E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 3538.5 secs\n\n total energy = -1655.77282563 Ry\n estimated scf accuracy < 0.00001688 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.30E-09, avg # of iterations = 3.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 3542.8 secs\n\n total energy = -1655.77282823 Ry\n estimated scf accuracy < 0.00000700 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.61E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3547.5 secs\n\n total energy = -1655.77282975 Ry\n estimated scf accuracy < 0.00000173 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.45E-10, avg # of iterations = 14.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3553.4 secs\n\n total energy = -1655.77283221 Ry\n estimated scf accuracy < 0.00000297 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.45E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3557.7 secs\n\n total energy = -1655.77283216 Ry\n estimated scf accuracy < 0.00000096 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.60E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3562.2 secs\n\n total energy = -1655.77283229 Ry\n estimated scf accuracy < 0.00000040 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.50E-10, avg # of iterations = 14.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3567.4 secs\n\n total energy = -1655.77283256 Ry\n estimated scf accuracy < 0.00000015 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.42E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3572.5 secs\n\n total energy = -1655.77283266 Ry\n estimated scf accuracy < 0.00000011 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.12E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3577.1 secs\n\n total energy = -1655.77283268 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.11E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3581.9 secs\n\n total energy = -1655.77283271 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.11E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3586.7 secs\n\n total energy = -1655.77283273 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.58E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3591.3 secs\n\n total energy = -1655.77283274 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.82E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3595.8 secs\n\n total energy = -1655.77283275 Ry\n estimated scf accuracy < 4.1E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.52E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3600.9 secs\n\n total energy = -1655.77283276 Ry\n estimated scf accuracy < 7.2E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.52E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3605.3 secs\n\n total energy = -1655.77283276 Ry\n estimated scf accuracy < 1.6E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.87E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3609.8 secs\n\n total energy = -1655.77283276 Ry\n estimated scf accuracy < 3.7E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.87E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3614.1 secs\n\n total energy = -1655.77283277 Ry\n estimated scf accuracy < 4.9E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.82E-13, avg # of iterations = 16.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3619.7 secs\n\n total energy = -1655.77283277 Ry\n estimated scf accuracy < 3.3E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.23E-13, avg # of iterations = 4.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 3623.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9148 -32.8441 -32.8084 -32.7823 -32.6422 -32.5382 -32.1973 -32.0875\n -32.0181 -31.9749 -30.7045 -29.6728 -29.2690 -29.0899 -29.0375 -28.9088\n -28.8723 -28.8649 -28.7687 -28.6362 -28.4691 -28.3283 -28.1402 -28.0927\n -27.4704 -26.8557 -25.5744 -24.8214 -24.3995 -24.0383 -22.8461 -22.0153\n -20.7444 -19.1998 -18.7096 -18.2097 -18.0988 -17.4807 -17.4222 -17.3284\n -17.0928 -16.9312 -16.5991 -16.5631 -16.5283 -16.5050 -16.4164 -16.3797\n -15.7768 -15.7535 -15.5447 -15.3824 -15.2057 -15.1199 -15.0382 -14.8929\n -14.7805 -14.7572 -14.6468 -14.6121 -14.5465 -14.4809 -14.4603 -14.3758\n -14.3406 -14.3257 -14.3018 -14.2257 -14.1968 -14.1501 -14.0530 -14.0027\n -13.9860 -13.9305 -13.9028 -13.8312 -13.7918 -13.7772 -13.7280 -13.6906\n -13.6307 -13.5801 -13.2247 -13.0753 -12.7488 -12.4428 -12.1749 -12.0886\n -11.8010 -11.4999 -11.4323 -11.3690 -10.9564 -10.8024 -10.4548 -10.0408\n -9.9266 -9.8126 -9.7861 -9.6949 -9.6400 -9.6190 -9.5940 -9.5576\n -9.5500 -9.4069 -9.3737 -9.3521 -9.2978 -9.2623 -9.2002 -9.0970\n -9.0454 -9.0010 -8.9518 -8.9127 -8.8337 -8.7871 -8.6719 -8.5628\n -8.5024 -8.2582 -8.1470 -8.0979 -7.7367 -7.6326 -7.3606 -7.2365\n -6.9830 -6.8936 -6.3995 -6.3573 -6.3039 -6.0855 -6.0732 -5.8835\n -5.5657 -4.9290 -4.8315 -4.7546 -4.3828 -4.2298 -4.1487 -4.0955\n -4.0621 -3.8991 -3.8086 -3.6785 -3.6690 -3.6531 -3.6113 -3.5105\n -3.4305 -3.1760 -3.0875 -2.8523 -2.3924 -2.2588 -0.7623 -0.4020\n -0.1625\n\n the Fermi energy is -6.0793 ev\n\n! total energy = -1655.77283278 Ry\n total all-electron energy = -6224.605181 Ry\n estimated scf accuracy < 2.0E-10 Ry\n smearing contrib. (-TS) = -0.00559620 Ry\n internal energy E=F+TS = -1655.76723658 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18367.04962051 Ry\n hartree contribution = 9216.40555955 Ry\n xc contribution = -312.76776510 Ry\n ewald contribution = 8235.61816028 Ry\n DFT-D3 Dispersion = -0.16456790 Ry\n one-center paw contrib. = -427.80900290 Ry\n\n convergence has been achieved in 27 iterations\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00086342 0.00022325 -0.00058946\n atom 2 type 1 force = 0.00103888 -0.00010980 -0.00170612\n atom 3 type 2 force = -0.00007673 -0.00097270 0.00028493\n atom 4 type 2 force = -0.00072497 -0.00064280 -0.00072826\n atom 5 type 1 force = -0.00059676 0.00063624 0.00024406\n atom 6 type 1 force = -0.00063311 -0.00211264 0.00013222\n atom 7 type 2 force = -0.00018192 0.00043056 -0.00038998\n atom 8 type 2 force = -0.00143093 -0.00076100 0.00064734\n atom 9 type 1 force = 0.00022545 0.00003412 0.00206195\n atom 10 type 1 force = 0.00003087 -0.00019479 -0.00032918\n atom 11 type 2 force = 0.00087574 0.00009741 0.00116180\n atom 12 type 2 force = -0.00030154 -0.00036206 0.00080564\n atom 13 type 1 force = -0.00047794 0.00058497 -0.00096832\n atom 14 type 1 force = 0.00001841 0.00068835 0.00093678\n atom 15 type 1 force = -0.00143048 0.00126956 0.00279228\n atom 16 type 2 force = -0.00070040 -0.00068613 0.00070723\n atom 17 type 2 force = 0.00359556 0.00017069 -0.00329820\n atom 18 type 1 force = 0.00099064 -0.00027576 -0.00100586\n atom 19 type 1 force = -0.00030375 0.00113951 0.00007704\n atom 20 type 2 force = -0.00187199 0.00035161 0.00029589\n atom 21 type 2 force = 0.00011091 0.00021180 -0.00070508\n atom 22 type 3 force = 0.00166977 0.00019610 -0.00050438\n atom 23 type 1 force = -0.00020206 -0.00019581 0.00075348\n atom 24 type 1 force = 0.00045695 0.00082905 -0.00089043\n atom 25 type 1 force = 0.00002865 -0.00028429 -0.00021780\n atom 26 type 1 force = 0.00044307 0.00051049 0.00079685\n atom 27 type 1 force = 0.00107340 -0.00189149 0.00096322\n atom 28 type 1 force = 0.00042811 0.00039984 -0.00177918\n atom 29 type 3 force = 0.00064679 0.00038753 0.00032017\n atom 30 type 1 force = -0.00021570 0.00018569 0.00114121\n atom 31 type 1 force = -0.00133413 0.00080784 -0.00312298\n atom 32 type 2 force = -0.00056272 -0.00428192 -0.00179141\n atom 33 type 2 force = -0.00083663 0.00461473 0.00253578\n atom 34 type 1 force = -0.00049817 -0.00101788 -0.00129349\n atom 35 type 1 force = -0.00215379 -0.00027751 -0.00099344\n atom 36 type 2 force = 0.00134788 0.00157941 0.00184053\n atom 37 type 2 force = 0.00012365 0.00090444 -0.00075964\n atom 38 type 1 force = 0.00000332 -0.00224777 0.00156130\n atom 39 type 1 force = 0.00109144 -0.00092588 -0.00140076\n atom 40 type 1 force = 0.00045042 0.00098226 0.00025011\n atom 41 type 2 force = -0.00030978 -0.00034979 -0.00033175\n atom 42 type 2 force = -0.00011189 -0.00131768 -0.00039133\n atom 43 type 1 force = 0.00071699 0.00001985 -0.00050241\n atom 44 type 1 force = 0.00037101 0.00149433 -0.00047482\n atom 45 type 2 force = 0.00167521 -0.00049580 0.00102256\n atom 46 type 2 force = 0.00105126 0.00039843 0.00140249\n atom 47 type 1 force = -0.00188377 0.00047298 -0.00007622\n atom 48 type 1 force = -0.00088507 0.00056873 0.00055369\n atom 49 type 2 force = 0.00013517 -0.00033188 0.00022307\n atom 50 type 2 force = -0.00001193 -0.00045441 0.00073887\n\n Total force = 0.014193 Total SCF correction = 0.000036\n Energy error = 2.9E-04 Ry\n Gradient error = 4.6E-03 Ry/Bohr\n\n number of scf cycles = 74\n number of bfgs steps = 73\n\n energy old = -1655.7725408006 Ry\n energy new = -1655.7728327829 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0799023996 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8212497856 9.6899392065 9.3142517034\nN 10.5619729404 9.8431904438 8.1727592088\nO 9.5786106423 9.1967126942 8.4999530447\nO 10.6724771120 10.8159348623 7.4629151253\nN 13.1735903845 8.4296443929 9.2125655289\nN 12.3983724665 7.0372351505 10.5383534255\nO 12.2972158367 7.4549345943 11.6679528955\nO 12.2106919633 5.9753969178 10.0100811430\nN 14.4590949288 8.0239591217 9.6255696271\nN 15.2898664043 8.4288906497 6.8307091079\nO 14.7309136946 9.4331987300 6.4334077332\nO 15.9053589523 7.5485823169 6.2688408093\nN 15.1404990932 8.8287184891 10.3345829355\nN 16.4539930617 8.5350177236 10.3198999391\nN 16.7187804729 6.6207758705 9.9292052722\nO 17.4503171958 6.4225713444 9.0004292992\nO 16.1130156205 5.9243632957 10.7025155842\nN 17.2405926103 9.1780978252 11.1663058721\nN 17.5080157773 8.3567325987 12.8659542122\nO 17.9197234551 7.2228985062 12.7825913123\nO 17.1859571400 9.0570752946 13.7907047074\nC 18.4621177309 9.5228473910 10.5674463984\nN 19.5342905237 8.6182902940 9.8951028454\nN 19.5320203149 9.5987919781 8.6590174929\nN 20.6116628771 10.4471825565 9.3706958483\nN 19.5369918544 11.3405442946 10.0276662742\nN 19.5185501930 10.3598320099 11.2677720003\nN 20.6057691978 9.5103022076 10.5700688232\nC 18.4731451080 10.4456155209 9.3471981657\nN 17.2762605476 10.8564342878 8.7293688648\nN 17.4193892009 11.3976003963 7.0877211968\nO 17.0127643805 12.5267201931 6.9291253841\nO 17.8182525038 10.5434698519 6.3322412676\nN 16.4768638483 11.5574488672 9.5259851838\nN 16.8426174983 13.4017294100 9.9966914521\nO 16.2640305226 14.1856328571 9.2954581145\nO 17.5831040611 13.4844332020 10.9363732210\nN 15.1593355620 11.2920235537 9.4627227742\nN 14.4524033373 12.1007740272 10.1428933179\nN 15.2714831395 11.6039722761 12.9261008967\nO 16.1026014259 12.3329616397 13.4214432135\nO 14.4130276296 10.8789455800 13.3777691685\nN 13.1409767963 11.7179369034 10.4836590238\nN 12.4272861078 13.1947161858 9.0924814800\nO 12.5241054738 12.8665149393 7.9363766225\nO 12.0961034589 14.2010918783 9.6606097615\nN 12.7850876585 10.4613567258 10.3656687997\nN 10.5724540024 10.5298130840 11.4594591692\nO 9.5750665846 10.8264103985 10.8141080869\nO 10.6846219659 10.1784157207 12.6100283987\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 3633.5 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 32.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 3647.0 secs\n\n total energy = -1655.77233107 Ry\n estimated scf accuracy < 0.00727306 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.71E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 3651.1 secs\n\n total energy = -1655.77083707 Ry\n estimated scf accuracy < 0.29375421 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.71E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 3655.3 secs\n\n total energy = -1655.77282047 Ry\n estimated scf accuracy < 0.00161654 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.03E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 3659.4 secs\n\n total energy = -1655.77287744 Ry\n estimated scf accuracy < 0.00123282 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.60E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 3663.6 secs\n\n total energy = -1655.77294205 Ry\n estimated scf accuracy < 0.00027588 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.03E-07, avg # of iterations = 11.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 3668.7 secs\n\n total energy = -1655.77312388 Ry\n estimated scf accuracy < 0.00009838 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.67E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 3673.5 secs\n\n total energy = -1655.77316773 Ry\n estimated scf accuracy < 0.00005383 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.01E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 3678.0 secs\n\n total energy = -1655.77316736 Ry\n estimated scf accuracy < 0.00004471 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.67E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3682.3 secs\n\n total energy = -1655.77316588 Ry\n estimated scf accuracy < 0.00002732 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 3687.1 secs\n\n total energy = -1655.77317498 Ry\n estimated scf accuracy < 0.00001134 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.23E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3691.9 secs\n\n total energy = -1655.77317945 Ry\n estimated scf accuracy < 0.00000752 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.81E-09, avg # of iterations = 7.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3696.4 secs\n\n total energy = -1655.77318019 Ry\n estimated scf accuracy < 0.00000243 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.08E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3701.5 secs\n\n total energy = -1655.77318184 Ry\n estimated scf accuracy < 0.00000721 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.08E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3706.0 secs\n\n total energy = -1655.77318213 Ry\n estimated scf accuracy < 0.00000100 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.73E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 3710.8 secs\n\n total energy = -1655.77318228 Ry\n estimated scf accuracy < 0.00000139 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.73E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 3715.3 secs\n\n total energy = -1655.77318230 Ry\n estimated scf accuracy < 0.00000045 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.67E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 3719.9 secs\n\n total energy = -1655.77318237 Ry\n estimated scf accuracy < 0.00000023 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.51E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 3724.9 secs\n\n total energy = -1655.77318251 Ry\n estimated scf accuracy < 0.00000017 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.17E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3729.4 secs\n\n total energy = -1655.77318254 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.93E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3734.4 secs\n\n total energy = -1655.77318258 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3739.1 secs\n\n total energy = -1655.77318260 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.01E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3744.0 secs\n\n total energy = -1655.77318261 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.01E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3748.3 secs\n\n total energy = -1655.77318262 Ry\n estimated scf accuracy < 5.6E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.11E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3752.9 secs\n\n total energy = -1655.77318263 Ry\n estimated scf accuracy < 7.3E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.11E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3757.2 secs\n\n total energy = -1655.77318264 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.65E-13, avg # of iterations = 16.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3763.2 secs\n\n total energy = -1655.77318264 Ry\n estimated scf accuracy < 6.6E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.45E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3767.6 secs\n\n total energy = -1655.77318264 Ry\n estimated scf accuracy < 5.0E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.87E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3772.2 secs\n\n total energy = -1655.77318265 Ry\n estimated scf accuracy < 3.0E-10 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.12E-13, avg # of iterations = 12.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 3776.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9203 -32.8293 -32.7937 -32.7796 -32.6218 -32.5492 -32.2034 -32.0785\n -32.0134 -31.9725 -30.7091 -29.6726 -29.2743 -29.0976 -29.0187 -28.9170\n -28.8565 -28.8406 -28.7793 -28.6361 -28.4836 -28.3230 -28.1426 -28.0785\n -27.4756 -26.8582 -25.5822 -24.8248 -24.4071 -24.0434 -22.8473 -22.0258\n -20.7449 -19.2012 -18.7194 -18.2154 -18.0985 -17.4753 -17.4200 -17.3147\n -17.0901 -16.9353 -16.6003 -16.5692 -16.5253 -16.5023 -16.4131 -16.3809\n -15.7801 -15.7572 -15.5402 -15.3744 -15.2083 -15.1189 -15.0367 -14.8909\n -14.7813 -14.7437 -14.6441 -14.6149 -14.5472 -14.4774 -14.4495 -14.3844\n -14.3485 -14.3237 -14.2983 -14.2112 -14.1908 -14.1552 -14.0454 -14.0115\n -13.9926 -13.9275 -13.8973 -13.8249 -13.7809 -13.7772 -13.7310 -13.6899\n -13.6285 -13.5785 -13.2270 -13.0748 -12.7544 -12.4408 -12.1812 -12.0960\n -11.8030 -11.5010 -11.4375 -11.3739 -10.9594 -10.8089 -10.4550 -10.0477\n -9.9265 -9.8132 -9.7861 -9.7011 -9.6414 -9.6057 -9.5884 -9.5607\n -9.5471 -9.4161 -9.3782 -9.3500 -9.2902 -9.2647 -9.2007 -9.0873\n -9.0419 -8.9990 -8.9495 -8.9177 -8.8398 -8.7855 -8.6694 -8.5524\n -8.5011 -8.2597 -8.1432 -8.0989 -7.7374 -7.6347 -7.3619 -7.2405\n -6.9793 -6.8939 -6.3929 -6.3631 -6.3058 -6.0823 -6.0699 -5.8773\n -5.5646 -4.9312 -4.8450 -4.7699 -4.3949 -4.2289 -4.1474 -4.0992\n -4.0569 -3.8923 -3.8096 -3.6833 -3.6692 -3.6522 -3.6164 -3.5085\n -3.4293 -3.1810 -3.0856 -2.8542 -2.3920 -2.2580 -0.7756 -0.4020\n -0.1636\n\n the Fermi energy is -6.0761 ev\n\n! total energy = -1655.77318266 Ry\n total all-electron energy = -6224.605530 Ry\n estimated scf accuracy < 1.4E-10 Ry\n smearing contrib. (-TS) = -0.00559572 Ry\n internal energy E=F+TS = -1655.76758694 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18365.25627650 Ry\n hartree contribution = 9215.51068622 Ry\n xc contribution = -312.76361376 Ry\n ewald contribution = 8234.71495938 Ry\n DFT-D3 Dispersion = -0.16461759 Ry\n one-center paw contrib. = -427.80872469 Ry\n\n convergence has been achieved in 29 iterations\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00030701 -0.00003346 0.00015918\n atom 2 type 1 force = 0.00101771 -0.00112948 -0.00058447\n atom 3 type 2 force = 0.00000007 -0.00056537 0.00026427\n atom 4 type 2 force = 0.00002748 0.00007470 -0.00134902\n atom 5 type 1 force = -0.00060744 -0.00030863 -0.00057546\n atom 6 type 1 force = -0.00121105 -0.00221220 0.00112150\n atom 7 type 2 force = 0.00011041 0.00041423 -0.00089761\n atom 8 type 2 force = -0.00097206 -0.00013809 0.00017728\n atom 9 type 1 force = -0.00087995 0.00092394 0.00250881\n atom 10 type 1 force = 0.00004920 -0.00036537 -0.00018057\n atom 11 type 2 force = 0.00127130 -0.00045059 0.00099639\n atom 12 type 2 force = -0.00075643 0.00037865 0.00081661\n atom 13 type 1 force = -0.00089227 0.00140507 -0.00038624\n atom 14 type 1 force = 0.00021829 -0.00045874 -0.00025998\n atom 15 type 1 force = 0.00006767 0.00016607 0.00237311\n atom 16 type 2 force = -0.00151865 -0.00014086 0.00109722\n atom 17 type 2 force = 0.00308274 0.00134213 -0.00338593\n atom 18 type 1 force = -0.00036180 -0.00111656 -0.00034958\n atom 19 type 1 force = -0.00121728 0.00260131 -0.00033954\n atom 20 type 2 force = -0.00171410 0.00021287 0.00116493\n atom 21 type 2 force = 0.00077919 -0.00098205 -0.00091225\n atom 22 type 3 force = 0.00100535 0.00047926 -0.00045844\n atom 23 type 1 force = 0.00041099 -0.00050216 0.00116185\n atom 24 type 1 force = -0.00004123 0.00106883 -0.00098422\n atom 25 type 1 force = -0.00002149 -0.00040736 -0.00007104\n atom 26 type 1 force = 0.00081137 0.00002725 0.00140508\n atom 27 type 1 force = 0.00130178 -0.00111126 -0.00004019\n atom 28 type 1 force = 0.00024715 0.00026192 -0.00206052\n atom 29 type 3 force = 0.00026496 0.00032879 0.00057489\n atom 30 type 1 force = -0.00075259 0.00149111 0.00039590\n atom 31 type 1 force = -0.00166894 0.00006561 -0.00502567\n atom 32 type 2 force = 0.00011926 -0.00536057 -0.00065463\n atom 33 type 2 force = -0.00101600 0.00570861 0.00323388\n atom 34 type 1 force = 0.00013841 -0.00092215 -0.00028168\n atom 35 type 1 force = -0.00213741 -0.00064375 -0.00024377\n atom 36 type 2 force = 0.00144998 0.00127788 0.00141997\n atom 37 type 2 force = -0.00001889 0.00078994 -0.00135897\n atom 38 type 1 force = -0.00003173 -0.00171364 0.00146161\n atom 39 type 1 force = 0.00128666 -0.00017131 -0.00265784\n atom 40 type 1 force = 0.00021035 0.00072732 -0.00087728\n atom 41 type 2 force = -0.00076382 -0.00067986 0.00038780\n atom 42 type 2 force = 0.00047578 -0.00077186 0.00006688\n atom 43 type 1 force = 0.00097980 -0.00039544 0.00130597\n atom 44 type 1 force = 0.00062101 0.00141330 0.00032383\n atom 45 type 2 force = 0.00159906 -0.00041595 -0.00053094\n atom 46 type 2 force = 0.00124809 0.00003155 0.00160499\n atom 47 type 1 force = -0.00288179 -0.00004875 -0.00065840\n atom 48 type 1 force = -0.00123238 0.00132948 0.00061558\n atom 49 type 2 force = 0.00146335 -0.00074116 -0.00027692\n atom 50 type 2 force = 0.00013284 -0.00073321 0.00076364\n\n Total force = 0.016120 Total SCF correction = 0.000027\n Energy error = 3.5E-04 Ry\n Gradient error = 5.7E-03 Ry/Bohr\n\n number of scf cycles = 75\n number of bfgs steps = 74\n\n energy old = -1655.7728327829 Ry\n energy new = -1655.7731826637 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0958585386 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8129512892 9.6773107769 9.3151233621\nN 10.5605525657 9.8286832014 8.1712474817\nO 9.5778179384 9.1782221585 8.4929190861\nO 10.6707727564 10.8074069599 7.4698938924\nN 13.1764551144 8.4208540009 9.2154211996\nN 12.4017642584 7.0245794560 10.5458411284\nO 12.2950360866 7.4509307411 11.6722168946\nO 12.2128497015 5.9588417007 10.0255439442\nN 14.4644645688 8.0198752057 9.6295489674\nN 15.3007859344 8.4229591583 6.8312354047\nO 14.7395480162 9.4263386608 6.4357794503\nO 15.9074013218 7.5376044852 6.2684245146\nN 15.1433103920 8.8295495349 10.3361673989\nN 16.4571443549 8.5424058368 10.3238530899\nN 16.7339425234 6.6268573274 9.9210732121\nO 17.4656832285 6.4401465781 8.9894189717\nO 16.1430841164 5.9168468291 10.6930776410\nN 17.2439740881 9.1910260027 11.1641859126\nN 17.5167779296 8.3696371183 12.8676487674\nO 17.9188606429 7.2324811497 12.7817050291\nO 17.1984817297 9.0713535884 13.7931663543\nC 18.4636734510 9.5359453619 10.5619893458\nN 19.5338546127 8.6306204494 9.8918869200\nN 19.5316555903 9.6081400119 8.6529941056\nN 20.6102272987 10.4589765860 9.3632536097\nN 19.5348248703 11.3535487544 10.0179356350\nN 19.5179323367 10.3741244160 11.2614009324\nN 20.6053938520 9.5251195563 10.5638729774\nC 18.4722573475 10.4551034113 9.3397565589\nN 17.2726198941 10.8601629156 8.7236968815\nN 17.4037614640 11.4002691502 7.0780815036\nO 16.9656328704 12.5162112156 6.9135907502\nO 17.8213528823 10.5527953431 6.3255904205\nN 16.4711062745 11.5591294776 9.5178444358\nN 16.8338918273 13.4057688320 10.0031362455\nO 16.2565423126 14.1947462635 9.3068906103\nO 17.5711380792 13.4836197002 10.9460557433\nN 15.1558836161 11.2877480753 9.4620078217\nN 14.4496347859 12.0946210103 10.1455287510\nN 15.2769006809 11.6053019288 12.9293524229\nO 16.1105664139 12.3349372777 13.4185436240\nO 14.4206089402 10.8799323109 13.3842157102\nN 13.1383371051 11.7106760430 10.4814529189\nN 12.4210330646 13.1906272660 9.1003028616\nO 12.5205456477 12.8570377086 7.9466551879\nO 12.0884633403 14.1983891130 9.6649184155\nN 12.7852710139 10.4536177858 10.3656266038\nN 10.5710861337 10.5173601646 11.4671224357\nO 9.5724944519 10.8163660254 10.8244080015\nO 10.6843443287 10.1708716335 12.6191985996\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 3786.5 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 34.0\n\n negative rho (up, down): 2.777E-02 0.000E+00\n\n total cpu time spent up to now is 3800.5 secs\n\n total energy = -1655.77308323 Ry\n estimated scf accuracy < 0.00513612 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.92E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 3804.6 secs\n\n total energy = -1655.77258113 Ry\n estimated scf accuracy < 0.07911657 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.92E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.774E-02 0.000E+00\n\n total cpu time spent up to now is 3808.7 secs\n\n total energy = -1655.77311183 Ry\n estimated scf accuracy < 0.00608734 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.92E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.777E-02 0.000E+00\n\n total cpu time spent up to now is 3812.9 secs\n\n total energy = -1655.77321375 Ry\n estimated scf accuracy < 0.00067183 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.51E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 3817.4 secs\n\n total energy = -1655.77332812 Ry\n estimated scf accuracy < 0.00017365 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.48E-08, avg # of iterations = 13.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 3822.8 secs\n\n total energy = -1655.77348980 Ry\n estimated scf accuracy < 0.00007201 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.69E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 3827.6 secs\n\n total energy = -1655.77351861 Ry\n estimated scf accuracy < 0.00005040 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.88E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 3832.2 secs\n\n total energy = -1655.77352220 Ry\n estimated scf accuracy < 0.00002535 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.46E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 3837.0 secs\n\n total energy = -1655.77353010 Ry\n estimated scf accuracy < 0.00000888 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.31E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 3842.0 secs\n\n total energy = -1655.77353592 Ry\n estimated scf accuracy < 0.00000333 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.24E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 3846.8 secs\n\n total energy = -1655.77353702 Ry\n estimated scf accuracy < 0.00000126 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.68E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3851.9 secs\n\n total energy = -1655.77353758 Ry\n estimated scf accuracy < 0.00000141 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.68E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3856.3 secs\n\n total energy = -1655.77353772 Ry\n estimated scf accuracy < 0.00000147 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.68E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 3860.5 secs\n\n total energy = -1655.77353766 Ry\n estimated scf accuracy < 0.00000045 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.66E-10, avg # of iterations = 13.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 3865.3 secs\n\n total energy = -1655.77353778 Ry\n estimated scf accuracy < 0.00000027 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 3870.1 secs\n\n total energy = -1655.77353791 Ry\n estimated scf accuracy < 0.00000029 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3874.4 secs\n\n total energy = -1655.77353794 Ry\n estimated scf accuracy < 0.00000009 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.31E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3879.3 secs\n\n total energy = -1655.77353798 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.82E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3884.9 secs\n\n total energy = -1655.77353800 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.82E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3889.2 secs\n\n total energy = -1655.77353802 Ry\n estimated scf accuracy < 7.8E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.91E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3894.0 secs\n\n total energy = -1655.77353803 Ry\n estimated scf accuracy < 2.7E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.01E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3899.3 secs\n\n total energy = -1655.77353804 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.37E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3903.8 secs\n\n total energy = -1655.77353804 Ry\n estimated scf accuracy < 1.3E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.94E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3908.2 secs\n\n total energy = -1655.77353804 Ry\n estimated scf accuracy < 9.7E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.63E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3912.8 secs\n\n total energy = -1655.77353804 Ry\n estimated scf accuracy < 4.3E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3917.2 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9233 -32.8150 -32.7966 -32.7677 -32.6014 -32.5654 -32.2125 -32.0871\n -32.0103 -31.9610 -30.7174 -29.6704 -29.2788 -29.0978 -28.9953 -28.9115\n -28.8557 -28.8192 -28.7990 -28.6341 -28.4989 -28.3348 -28.1434 -28.0604\n -27.4803 -26.8594 -25.5886 -24.8273 -24.4158 -24.0474 -22.8492 -22.0316\n -20.7414 -19.1997 -18.7296 -18.2187 -18.0913 -17.4653 -17.4120 -17.2971\n -17.0860 -16.9389 -16.6017 -16.5730 -16.5238 -16.4998 -16.4084 -16.3817\n -15.7824 -15.7584 -15.5317 -15.3627 -15.2088 -15.1182 -15.0319 -14.8876\n -14.7814 -14.7254 -14.6461 -14.6131 -14.5511 -14.4738 -14.4327 -14.3963\n -14.3527 -14.3183 -14.2858 -14.1987 -14.1889 -14.1653 -14.0349 -14.0187\n -13.9986 -13.9321 -13.9040 -13.8209 -13.7765 -13.7694 -13.7327 -13.6887\n -13.6303 -13.5795 -13.2302 -13.0748 -12.7586 -12.4389 -12.1880 -12.1045\n -11.8063 -11.5024 -11.4447 -11.3761 -10.9624 -10.8142 -10.4575 -10.0546\n -9.9269 -9.8113 -9.7832 -9.7058 -9.6426 -9.5942 -9.5854 -9.5669\n -9.5411 -9.4235 -9.3827 -9.3548 -9.2806 -9.2623 -9.1949 -9.0820\n -9.0318 -8.9986 -8.9487 -8.9222 -8.8435 -8.7910 -8.6659 -8.5452\n -8.4962 -8.2613 -8.1383 -8.0969 -7.7397 -7.6344 -7.3621 -7.2447\n -6.9748 -6.8923 -6.3868 -6.3675 -6.3044 -6.0776 -6.0650 -5.8696\n -5.5654 -4.9349 -4.8578 -4.7893 -4.4108 -4.2232 -4.1427 -4.0969\n -4.0454 -3.8855 -3.8128 -3.6859 -3.6708 -3.6503 -3.6194 -3.5068\n -3.4288 -3.1893 -3.0836 -2.8546 -2.3947 -2.2600 -0.7936 -0.4015\n -0.1643\n\n the Fermi energy is -6.0713 ev\n\n! total energy = -1655.77353806 Ry\n total all-electron energy = -6224.605886 Ry\n estimated scf accuracy < 2.1E-10 Ry\n smearing contrib. (-TS) = -0.00559432 Ry\n internal energy E=F+TS = -1655.76794374 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18361.10671933 Ry\n hartree contribution = 9213.44147479 Ry\n xc contribution = -312.76222062 Ry\n ewald contribution = 8232.63259091 Ry\n DFT-D3 Dispersion = -0.16461382 Ry\n one-center paw contrib. = -427.80845568 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00157848 -0.00005888 0.00120414\n atom 2 type 1 force = 0.00088543 -0.00142317 0.00011804\n atom 3 type 2 force = 0.00051048 0.00012847 0.00034639\n atom 4 type 2 force = 0.00027488 0.00004038 -0.00138964\n atom 5 type 1 force = -0.00029168 -0.00107429 -0.00110189\n atom 6 type 1 force = -0.00159717 -0.00168873 0.00208713\n atom 7 type 2 force = 0.00041476 0.00008104 -0.00155333\n atom 8 type 2 force = -0.00052186 0.00035074 -0.00020698\n atom 9 type 1 force = -0.00176185 0.00222497 0.00317904\n atom 10 type 1 force = -0.00003078 -0.00067568 0.00134086\n atom 11 type 2 force = 0.00100051 0.00018553 0.00024812\n atom 12 type 2 force = -0.00047349 0.00007310 0.00002569\n atom 13 type 1 force = -0.00157619 0.00111673 -0.00012796\n atom 14 type 1 force = 0.00024936 -0.00134281 -0.00147486\n atom 15 type 1 force = 0.00199903 -0.00098533 0.00130826\n atom 16 type 2 force = -0.00197284 0.00086663 0.00095149\n atom 17 type 2 force = 0.00156539 0.00230592 -0.00231747\n atom 18 type 1 force = -0.00126033 -0.00150604 0.00015495\n atom 19 type 1 force = -0.00192634 0.00291614 -0.00027714\n atom 20 type 2 force = -0.00166549 0.00075921 0.00176515\n atom 21 type 2 force = 0.00140931 -0.00179457 -0.00143650\n atom 22 type 3 force = -0.00020398 -0.00000825 0.00032767\n atom 23 type 1 force = 0.00093812 -0.00076028 0.00094442\n atom 24 type 1 force = -0.00057446 0.00094629 -0.00092182\n atom 25 type 1 force = 0.00013518 -0.00019850 -0.00025942\n atom 26 type 1 force = 0.00112143 -0.00027816 0.00171749\n atom 27 type 1 force = 0.00126014 -0.00009711 -0.00082327\n atom 28 type 1 force = 0.00021812 -0.00027505 -0.00175216\n atom 29 type 3 force = -0.00039716 0.00062191 0.00048734\n atom 30 type 1 force = -0.00076454 0.00251175 -0.00042313\n atom 31 type 1 force = -0.00218949 -0.00085649 -0.00553846\n atom 32 type 2 force = 0.00013010 -0.00430437 0.00044524\n atom 33 type 2 force = -0.00032871 0.00496108 0.00270216\n atom 34 type 1 force = 0.00098049 -0.00083005 0.00092266\n atom 35 type 1 force = -0.00182077 -0.00064680 0.00078433\n atom 36 type 2 force = 0.00110117 0.00087314 0.00034218\n atom 37 type 2 force = -0.00002722 0.00014176 -0.00176456\n atom 38 type 1 force = 0.00033212 -0.00091609 0.00098428\n atom 39 type 1 force = 0.00031305 0.00037485 -0.00361134\n atom 40 type 1 force = -0.00004182 0.00041538 -0.00222320\n atom 41 type 2 force = -0.00072597 -0.00055248 0.00125743\n atom 42 type 2 force = 0.00056892 -0.00062845 0.00061942\n atom 43 type 1 force = 0.00118793 -0.00113689 0.00317974\n atom 44 type 1 force = 0.00111249 0.00059573 0.00131299\n atom 45 type 2 force = 0.00128807 0.00003262 -0.00223735\n atom 46 type 2 force = 0.00137245 -0.00019645 0.00165308\n atom 47 type 1 force = -0.00362863 -0.00011702 -0.00134843\n atom 48 type 1 force = -0.00107373 0.00212490 0.00071107\n atom 49 type 2 force = 0.00267719 -0.00126886 -0.00105364\n atom 50 type 2 force = 0.00022990 -0.00102745 0.00072179\n\n Total force = 0.017735 Total SCF correction = 0.000034\n Energy error = 3.6E-04 Ry\n Gradient error = 5.5E-03 Ry/Bohr\n\n number of scf cycles = 76\n number of bfgs steps = 75\n\n energy old = -1655.7731826637 Ry\n energy new = -1655.7735380591 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0860634976 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8060206797 9.6662316644 9.3166326212\nN 10.5598464995 9.8153831379 8.1679037294\nO 9.5775980200 9.1619278548 8.4852856186\nO 10.6692499476 10.7987420741 7.4731841545\nN 13.1786999794 8.4132471020 9.2163136674\nN 12.4051473526 7.0131006915 10.5530314220\nO 12.2926964126 7.4482370944 11.6754332002\nO 12.2175680313 5.9441822328 10.0389869358\nN 14.4686824568 8.0183619707 9.6322247051\nN 15.3104374721 8.4190018783 6.8360959000\nO 14.7477496160 9.4222732715 6.4410139771\nO 15.9067907306 7.5276485872 6.2704057414\nN 15.1453425319 8.8314584573 10.3355118473\nN 16.4602831686 8.5485043217 10.3251454848\nN 16.7477363822 6.6332452061 9.9138377437\nO 17.4773804981 6.4558771445 8.9785207779\nO 16.1683335100 5.9131469273 10.6836949953\nN 17.2459579693 9.2016640996 11.1616411806\nN 17.5228497719 8.3824583581 12.8695624364\nO 17.9167351721 7.2427240008 12.7838131060\nO 17.2088561091 9.0853888499 13.7952899536\nC 18.4646190815 9.5472718948 10.5578622518\nN 19.5338263050 8.6408203431 9.8904319675\nN 19.5311733467 9.6158313987 8.6474461429\nN 20.6092216380 10.4688431917 9.3562536756\nN 19.5335788818 11.3649389049 10.0093925412\nN 19.5178287497 10.3873071067 11.2554974809\nN 20.6052288771 9.5383685442 10.5583225565\nC 18.4713319014 10.4634671410 9.3331517747\nN 17.2697464216 10.8642873541 8.7186460586\nN 17.3882620286 11.4018718798 7.0684802166\nO 16.9234837573 12.5054233674 6.9001287660\nO 17.8218514402 10.5610165896 6.3187498179\nN 16.4672432251 11.5598425423 9.5121607158\nN 16.8244562315 13.4076274085 10.0091239486\nO 16.2498628107 14.2003884823 9.3152006288\nO 17.5583992812 13.4831301978 10.9551222536\nN 15.1539779028 11.2832237313 9.4628968506\nN 14.4480319013 12.0879112623 10.1487515881\nN 15.2806209813 11.6058818453 12.9283737372\nO 16.1157304741 12.3363431158 13.4139637441\nO 14.4276848098 10.8782746327 13.3874894304\nN 13.1376146310 11.7022850492 10.4831141690\nN 12.4188269906 13.1866731679 9.1082795378\nO 12.5205666887 12.8491669835 7.9559609631\nO 12.0858711588 14.1955763161 9.6710679749\nN 12.7836794919 10.4467237621 10.3650692364\nN 10.5701801828 10.5082224200 11.4752318273\nO 9.5714093929 10.8087088286 10.8334301813\nO 10.6844221490 10.1634458721 12.6276724974\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 3927.3 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 31.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 3940.9 secs\n\n total energy = -1655.77342467 Ry\n estimated scf accuracy < 0.00396026 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.48E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 3945.0 secs\n\n total energy = -1655.77310577 Ry\n estimated scf accuracy < 0.05036347 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.48E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 3949.1 secs\n\n total energy = -1655.77344783 Ry\n estimated scf accuracy < 0.00505189 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.48E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 3953.3 secs\n\n total energy = -1655.77354899 Ry\n estimated scf accuracy < 0.00044582 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.66E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 3958.0 secs\n\n total energy = -1655.77376639 Ry\n estimated scf accuracy < 0.00023386 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.73E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 3962.4 secs\n\n total energy = -1655.77380796 Ry\n estimated scf accuracy < 0.00004363 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.63E-08, avg # of iterations = 13.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 3967.9 secs\n\n total energy = -1655.77385077 Ry\n estimated scf accuracy < 0.00003520 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.31E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 3972.2 secs\n\n total energy = -1655.77385195 Ry\n estimated scf accuracy < 0.00001137 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.24E-09, avg # of iterations = 18.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 3977.7 secs\n\n total energy = -1655.77386201 Ry\n estimated scf accuracy < 0.00000214 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.00E-10, avg # of iterations = 15.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3983.7 secs\n\n total energy = -1655.77386515 Ry\n estimated scf accuracy < 0.00000181 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.74E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3988.0 secs\n\n total energy = -1655.77386516 Ry\n estimated scf accuracy < 0.00000110 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.11E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3992.4 secs\n\n total energy = -1655.77386522 Ry\n estimated scf accuracy < 0.00000036 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.35E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3997.3 secs\n\n total energy = -1655.77386539 Ry\n estimated scf accuracy < 0.00000068 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.35E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 4001.7 secs\n\n total energy = -1655.77386544 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.62E-11, avg # of iterations = 14.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 4006.8 secs\n\n total energy = -1655.77386553 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.61E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 4011.2 secs\n\n total energy = -1655.77386555 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.55E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 4016.0 secs\n\n total energy = -1655.77386558 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.42E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 4021.0 secs\n\n total energy = -1655.77386560 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.10E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 4025.9 secs\n\n total energy = -1655.77386561 Ry\n estimated scf accuracy < 4.6E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 4030.7 secs\n\n total energy = -1655.77386562 Ry\n estimated scf accuracy < 2.5E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.32E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 4035.6 secs\n\n total energy = -1655.77386562 Ry\n estimated scf accuracy < 1.3E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.77E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 4040.2 secs\n\n total energy = -1655.77386563 Ry\n estimated scf accuracy < 6.2E-10 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.29E-13, avg # of iterations = 5.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 4044.2 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9229 -32.8178 -32.8127 -32.7674 -32.6002 -32.5680 -32.2035 -32.0690\n -32.0112 -31.9580 -30.7168 -29.6778 -29.2886 -29.0918 -28.9896 -28.9077\n -28.8686 -28.8215 -28.8082 -28.6399 -28.4909 -28.3179 -28.1443 -28.0568\n -27.4903 -26.8689 -25.6003 -24.8223 -24.4198 -24.0501 -22.8531 -22.0370\n -20.7457 -19.2029 -18.7364 -18.2239 -18.0890 -17.4560 -17.4051 -17.2870\n -17.0848 -16.9427 -16.6061 -16.5736 -16.5218 -16.4988 -16.4077 -16.3857\n -15.7859 -15.7571 -15.5271 -15.3563 -15.2058 -15.1177 -15.0272 -14.8865\n -14.7824 -14.7191 -14.6502 -14.6158 -14.5582 -14.4737 -14.4309 -14.4004\n -14.3515 -14.3129 -14.2788 -14.1998 -14.1913 -14.1723 -14.0284 -14.0151\n -13.9924 -13.9242 -13.8925 -13.8187 -13.7754 -13.7666 -13.7301 -13.6868\n -13.6264 -13.5778 -13.2378 -13.0763 -12.7639 -12.4418 -12.1950 -12.1137\n -11.8109 -11.5063 -11.4522 -11.3760 -10.9645 -10.8175 -10.4640 -10.0625\n -9.9295 -9.8112 -9.7807 -9.7078 -9.6427 -9.5947 -9.5876 -9.5718\n -9.5394 -9.4203 -9.3846 -9.3479 -9.2758 -9.2589 -9.1891 -9.0856\n -9.0268 -9.0006 -8.9521 -8.9219 -8.8402 -8.7831 -8.6646 -8.5449\n -8.4965 -8.2661 -8.1355 -8.0962 -7.7446 -7.6322 -7.3624 -7.2479\n -6.9755 -6.8889 -6.3866 -6.3691 -6.3014 -6.0780 -6.0652 -5.8649\n -5.5697 -4.9381 -4.8639 -4.8021 -4.4226 -4.2119 -4.1383 -4.0905\n -4.0346 -3.8849 -3.8181 -3.6874 -3.6752 -3.6500 -3.6216 -3.5077\n -3.4301 -3.1952 -3.0808 -2.8529 -2.3965 -2.2602 -0.8122 -0.4014\n -0.1651\n\n the Fermi energy is -6.0716 ev\n\n! total energy = -1655.77386565 Ry\n total all-electron energy = -6224.606213 Ry\n estimated scf accuracy < 2.6E-10 Ry\n smearing contrib. (-TS) = -0.00559264 Ry\n internal energy E=F+TS = -1655.76827301 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18360.30385935 Ry\n hartree contribution = 9213.03903189 Ry\n xc contribution = -312.76388359 Ry\n ewald contribution = 8232.23333229 Ry\n DFT-D3 Dispersion = -0.16467134 Ry\n one-center paw contrib. = -427.80822290 Ry\n\n convergence has been achieved in 23 iterations\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00217675 0.00014188 0.00121354\n atom 2 type 1 force = 0.00060725 -0.00156533 0.00073365\n atom 3 type 2 force = 0.00053413 0.00047946 0.00057592\n atom 4 type 2 force = 0.00083604 0.00022071 -0.00153028\n atom 5 type 1 force = -0.00014060 -0.00111934 -0.00101425\n atom 6 type 1 force = -0.00136730 -0.00076345 0.00155069\n atom 7 type 2 force = 0.00045950 -0.00023237 -0.00116479\n atom 8 type 2 force = -0.00041118 0.00021182 -0.00024470\n atom 9 type 1 force = -0.00273466 0.00126308 0.00267563\n atom 10 type 1 force = 0.00029212 -0.00120547 0.00052614\n atom 11 type 2 force = 0.00143621 -0.00052570 0.00039518\n atom 12 type 2 force = -0.00128193 0.00131045 0.00061935\n atom 13 type 1 force = -0.00096669 0.00153070 0.00103742\n atom 14 type 1 force = -0.00014378 -0.00169486 -0.00205991\n atom 15 type 1 force = 0.00346070 -0.00086110 -0.00045728\n atom 16 type 2 force = -0.00168302 0.00167279 0.00037401\n atom 17 type 2 force = -0.00043175 0.00186317 -0.00007991\n atom 18 type 1 force = -0.00147686 -0.00140413 0.00063415\n atom 19 type 1 force = -0.00238808 0.00273993 -0.00065577\n atom 20 type 2 force = -0.00113609 -0.00010371 0.00150332\n atom 21 type 2 force = 0.00127521 -0.00082655 -0.00088656\n atom 22 type 3 force = -0.00071387 0.00002170 0.00033910\n atom 23 type 1 force = 0.00128777 -0.00033139 0.00003806\n atom 24 type 1 force = -0.00076358 0.00066481 -0.00018310\n atom 25 type 1 force = 0.00006980 -0.00003725 -0.00026967\n atom 26 type 1 force = 0.00113600 -0.00077221 0.00151492\n atom 27 type 1 force = 0.00119236 0.00040744 -0.00128756\n atom 28 type 1 force = 0.00030089 -0.00077568 -0.00123220\n atom 29 type 3 force = -0.00029182 0.00036022 0.00066744\n atom 30 type 1 force = -0.00015320 0.00265873 -0.00105725\n atom 31 type 1 force = -0.00234209 -0.00159638 -0.00485721\n atom 32 type 2 force = -0.00049011 -0.00225828 0.00097694\n atom 33 type 2 force = 0.00064521 0.00342981 0.00162376\n atom 34 type 1 force = 0.00091451 -0.00030305 0.00183137\n atom 35 type 1 force = -0.00092445 -0.00033593 0.00181928\n atom 36 type 2 force = 0.00045072 0.00067995 -0.00079522\n atom 37 type 2 force = -0.00004763 -0.00057028 -0.00202601\n atom 38 type 1 force = 0.00040158 -0.00075519 0.00021332\n atom 39 type 1 force = -0.00036273 0.00093162 -0.00376786\n atom 40 type 1 force = -0.00070086 -0.00018249 -0.00164384\n atom 41 type 2 force = -0.00107250 -0.00079530 0.00129248\n atom 42 type 2 force = 0.00147663 0.00017487 0.00014773\n atom 43 type 1 force = 0.00098572 -0.00129141 0.00409966\n atom 44 type 1 force = 0.00128977 0.00026890 0.00156696\n atom 45 type 2 force = 0.00082466 0.00088329 -0.00225381\n atom 46 type 2 force = 0.00163777 -0.00095780 0.00095813\n atom 47 type 1 force = -0.00384203 -0.00037301 -0.00111876\n atom 48 type 1 force = -0.00071071 0.00256607 0.00015645\n atom 49 type 2 force = 0.00287579 -0.00167424 -0.00133180\n atom 50 type 2 force = 0.00001045 -0.00116949 0.00083313\n\n Total force = 0.017100 Total SCF correction = 0.000039\n Energy error = 3.3E-04 Ry\n Gradient error = 4.9E-03 Ry/Bohr\n\n number of scf cycles = 77\n number of bfgs steps = 76\n\n energy old = -1655.7735380591 Ry\n energy new = -1655.7738656451 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0946698473 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8001282901 9.6549846060 9.3178336035\nN 10.5600463418 9.7994699819 8.1628555955\nO 9.5774109598 9.1434514175 8.4743053400\nO 10.6700019813 10.7875960029 7.4745656333\nN 13.1803703472 8.4050350386 9.2163224031\nN 12.4065467562 6.9994165075 10.5613277183\nO 12.2874648612 7.4445287648 11.6790828652\nO 12.2220651538 5.9267791150 10.0540693338\nN 14.4702467252 8.0164859051 9.6372582251\nN 15.3207056507 8.4142340158 6.8419566670\nO 14.7593006889 9.4184439611 6.4487083549\nO 15.9052839449 7.5175358292 6.2735026042\nN 15.1466043210 8.8351717905 10.3345475456\nN 16.4626541496 8.5531954104 10.3251278701\nN 16.7630278128 6.6387197319 9.9068320741\nO 17.4889484343 6.4715336763 8.9666766709\nO 16.1947621773 5.9084248869 10.6739443590\nN 17.2472281439 9.2110060140 11.1580844480\nN 17.5266901308 8.3969276442 12.8718868269\nO 17.9113618264 7.2533600463 12.7885874036\nO 17.2186330176 9.1013927794 13.7984730233\nC 18.4651962830 9.5582386378 10.5529495156\nN 19.5343047832 8.6512765654 9.8873448710\nN 19.5304559964 9.6252162539 8.6412113640\nN 20.6084679948 10.4792352428 9.3491594304\nN 19.5329092788 11.3758527617 10.0022066949\nN 19.5183714160 10.3995234624 11.2487111281\nN 20.6054420035 9.5510217428 10.5513235825\nC 18.4704574429 10.4726183319 9.3268044407\nN 17.2675122982 10.8705543072 8.7135018125\nN 17.3708331474 11.4034557710 7.0555473991\nO 16.8775317131 12.4927706076 6.8847002434\nO 17.8210815619 10.5707332285 6.3089738386\nN 16.4639136684 11.5614727862 9.5071582647\nN 16.8137023783 13.4113483675 10.0160807031\nO 16.2430969540 14.2083939548 9.3238531422\nO 17.5456119243 13.4845260484 10.9639376093\nN 15.1525394463 11.2781417925 9.4641926121\nN 14.4466591811 12.0820198026 10.1502098498\nN 15.2833357477 11.6075816168 12.9267504518\nO 16.1203730543 12.3367704560 13.4103833983\nO 14.4372753320 10.8747106363 13.3896266999\nN 13.1381168668 11.6923083950 10.4879514854\nN 12.4198038538 13.1846482113 9.1172683095\nO 12.5235800047 12.8435862598 7.9660399641\nO 12.0877045332 14.1946076000 9.6783975943\nN 12.7804986437 10.4393061793 10.3638992705\nN 10.5691417600 10.5004962194 11.4853231508\nO 9.5710210001 10.8023178757 10.8437603671\nO 10.6842730606 10.1552520188 12.6375859738\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.776E-02 0.000E+00\n\n total cpu time spent up to now is 4054.3 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 33.0\n\n negative rho (up, down): 2.773E-02 0.000E+00\n\n total cpu time spent up to now is 4068.2 secs\n\n total energy = -1655.77389859 Ry\n estimated scf accuracy < 0.00433590 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 4072.3 secs\n\n total energy = -1655.77364528 Ry\n estimated scf accuracy < 0.03952751 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.773E-02 0.000E+00\n\n total cpu time spent up to now is 4076.5 secs\n\n total energy = -1655.77388997 Ry\n estimated scf accuracy < 0.00731354 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.776E-02 0.000E+00\n\n total cpu time spent up to now is 4080.6 secs\n\n total energy = -1655.77398432 Ry\n estimated scf accuracy < 0.00069675 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.60E-07, avg # of iterations = 6.0\n\n negative rho (up, down): 2.777E-02 0.000E+00\n\n total cpu time spent up to now is 4085.0 secs\n\n total energy = -1655.77407372 Ry\n estimated scf accuracy < 0.00016266 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.07E-08, avg # of iterations = 14.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 4090.4 secs\n\n total energy = -1655.77424038 Ry\n estimated scf accuracy < 0.00005395 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.01E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.776E-02 0.000E+00\n\n total cpu time spent up to now is 4095.5 secs\n\n total energy = -1655.77427141 Ry\n estimated scf accuracy < 0.00004172 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.56E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 4099.9 secs\n\n total energy = -1655.77426849 Ry\n estimated scf accuracy < 0.00002744 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-08, avg # of iterations = 3.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 4104.4 secs\n\n total energy = -1655.77427345 Ry\n estimated scf accuracy < 0.00001606 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.99E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 4108.8 secs\n\n total energy = -1655.77427531 Ry\n estimated scf accuracy < 0.00000693 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.59E-09, avg # of iterations = 15.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 4114.1 secs\n\n total energy = -1655.77428099 Ry\n estimated scf accuracy < 0.00000609 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.27E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 4118.5 secs\n\n total energy = -1655.77428133 Ry\n estimated scf accuracy < 0.00000132 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.91E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4123.6 secs\n\n total energy = -1655.77428202 Ry\n estimated scf accuracy < 0.00000674 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.91E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 4128.0 secs\n\n total energy = -1655.77428217 Ry\n estimated scf accuracy < 0.00000118 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.39E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4132.4 secs\n\n total energy = -1655.77428207 Ry\n estimated scf accuracy < 0.00000099 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.71E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4136.6 secs\n\n total energy = -1655.77428205 Ry\n estimated scf accuracy < 0.00000106 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.71E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4140.9 secs\n\n total energy = -1655.77428205 Ry\n estimated scf accuracy < 0.00000026 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.61E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4145.7 secs\n\n total energy = -1655.77428216 Ry\n estimated scf accuracy < 0.00000009 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.28E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 4151.0 secs\n\n total energy = -1655.77428225 Ry\n estimated scf accuracy < 0.00000007 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.49E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 4155.3 secs\n\n total energy = -1655.77428225 Ry\n estimated scf accuracy < 0.00000009 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.49E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4159.6 secs\n\n total energy = -1655.77428225 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.77E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4164.2 secs\n\n total energy = -1655.77428225 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.77E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4168.5 secs\n\n total energy = -1655.77428225 Ry\n estimated scf accuracy < 5.8E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.18E-12, avg # of iterations = 13.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4174.1 secs\n\n total energy = -1655.77428225 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.18E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4178.5 secs\n\n total energy = -1655.77428226 Ry\n estimated scf accuracy < 2.2E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.18E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4183.2 secs\n\n total energy = -1655.77428225 Ry\n estimated scf accuracy < 1.9E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.19E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4187.6 secs\n\n total energy = -1655.77428225 Ry\n estimated scf accuracy < 3.6E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.33E-13, avg # of iterations = 15.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 4192.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9190 -32.8412 -32.8211 -32.7498 -32.6014 -32.5704 -32.2053 -32.0798\n -32.0052 -31.9614 -30.7179 -29.6812 -29.2913 -29.0801 -28.9866 -28.8963\n -28.8806 -28.8287 -28.8169 -28.6429 -28.4866 -28.3246 -28.1381 -28.0640\n -27.4950 -26.8717 -25.6060 -24.8176 -24.4202 -24.0500 -22.8566 -22.0341\n -20.7461 -19.2025 -18.7364 -18.2272 -18.0786 -17.4424 -17.3921 -17.2772\n -17.0791 -16.9427 -16.6082 -16.5693 -16.5203 -16.4980 -16.4094 -16.3892\n -15.7868 -15.7514 -15.5202 -15.3476 -15.2015 -15.1166 -15.0155 -14.8815\n -14.7821 -14.7115 -14.6488 -14.6196 -14.5633 -14.4638 -14.4307 -14.4026\n -14.3455 -14.3001 -14.2707 -14.2054 -14.1988 -14.1775 -14.0216 -14.0101\n -13.9891 -13.9254 -13.8991 -13.8173 -13.7758 -13.7672 -13.7309 -13.6887\n -13.6308 -13.5829 -13.2463 -13.0781 -12.7624 -12.4439 -12.2005 -12.1197\n -11.8149 -11.5115 -11.4570 -11.3721 -10.9637 -10.8166 -10.4705 -10.0672\n -9.9302 -9.8098 -9.7745 -9.7042 -9.6398 -9.5991 -9.5929 -9.5760\n -9.5370 -9.4144 -9.3844 -9.3492 -9.2708 -9.2517 -9.1772 -9.0907\n -9.0271 -8.9969 -8.9585 -8.9206 -8.8346 -8.7828 -8.6637 -8.5462\n -8.5009 -8.2687 -8.1340 -8.0947 -7.7525 -7.6264 -7.3605 -7.2482\n -6.9764 -6.8833 -6.3848 -6.3677 -6.2950 -6.0776 -6.0644 -5.8617\n -5.5779 -4.9413 -4.8677 -4.8142 -4.4351 -4.1981 -4.1321 -4.0782\n -4.0244 -3.8868 -3.8201 -3.6814 -3.6773 -3.6454 -3.6206 -3.5115\n -3.4340 -3.2000 -3.0774 -2.8495 -2.4024 -2.2638 -0.8196 -0.4009\n -0.1653\n\n the Fermi energy is -6.0710 ev\n\n! total energy = -1655.77428225 Ry\n total all-electron energy = -6224.606630 Ry\n estimated scf accuracy < 1.3E-10 Ry\n smearing contrib. (-TS) = -0.00558977 Ry\n internal energy E=F+TS = -1655.76869247 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18357.92947385 Ry\n hartree contribution = 9211.85819803 Ry\n xc contribution = -312.76699745 Ry\n ewald contribution = 8231.04240944 Ry\n DFT-D3 Dispersion = -0.16468134 Ry\n one-center paw contrib. = -427.80814731 Ry\n\n convergence has been achieved in 28 iterations\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00208459 0.00067806 0.00109033\n atom 2 type 1 force = 0.00024607 -0.00097558 0.00077734\n atom 3 type 2 force = 0.00077891 0.00095656 0.00090391\n atom 4 type 2 force = 0.00033339 -0.00023350 -0.00119997\n atom 5 type 1 force = 0.00042059 -0.00065775 -0.00019050\n atom 6 type 1 force = -0.00105355 0.00024549 0.00087695\n atom 7 type 2 force = 0.00047743 -0.00074467 -0.00089044\n atom 8 type 2 force = -0.00033008 0.00023023 -0.00008382\n atom 9 type 1 force = -0.00242280 0.00077941 0.00249170\n atom 10 type 1 force = 0.00023447 -0.00147305 0.00159278\n atom 11 type 2 force = 0.00065587 0.00086224 -0.00007039\n atom 12 type 2 force = -0.00050982 0.00015658 -0.00007210\n atom 13 type 1 force = -0.00095142 -0.00009964 0.00121700\n atom 14 type 1 force = -0.00030158 -0.00103580 -0.00174394\n atom 15 type 1 force = 0.00395938 -0.00067020 -0.00211067\n atom 16 type 2 force = -0.00116814 0.00244069 -0.00018350\n atom 17 type 2 force = -0.00209525 0.00144044 0.00204616\n atom 18 type 1 force = -0.00120710 -0.00088855 0.00044938\n atom 19 type 1 force = -0.00219594 0.00074447 0.00007943\n atom 20 type 2 force = -0.00112774 0.00058513 0.00086917\n atom 21 type 2 force = 0.00113403 0.00025549 -0.00133293\n atom 22 type 3 force = -0.00102668 -0.00051221 0.00087094\n atom 23 type 1 force = 0.00109531 0.00000513 -0.00111407\n atom 24 type 1 force = -0.00054295 0.00015046 0.00042331\n atom 25 type 1 force = 0.00039197 0.00032337 -0.00064378\n atom 26 type 1 force = 0.00095050 -0.00073672 0.00082783\n atom 27 type 1 force = 0.00081328 0.00048628 -0.00092765\n atom 28 type 1 force = 0.00046920 -0.00132009 -0.00024357\n atom 29 type 3 force = -0.00027178 0.00050300 0.00032275\n atom 30 type 1 force = 0.00064554 0.00237811 -0.00124001\n atom 31 type 1 force = -0.00264346 -0.00149685 -0.00236766\n atom 32 type 2 force = -0.00162877 0.00058171 0.00108638\n atom 33 type 2 force = 0.00225723 0.00057984 -0.00047493\n atom 34 type 1 force = 0.00091948 -0.00011845 0.00203823\n atom 35 type 1 force = -0.00002794 0.00009744 0.00217157\n atom 36 type 2 force = -0.00031113 0.00027566 -0.00188853\n atom 37 type 2 force = 0.00011969 -0.00129636 -0.00175065\n atom 38 type 1 force = 0.00054957 0.00002001 -0.00051152\n atom 39 type 1 force = -0.00169240 0.00028889 -0.00316456\n atom 40 type 1 force = -0.00052405 -0.00010662 -0.00146274\n atom 41 type 2 force = -0.00044789 -0.00018198 0.00132050\n atom 42 type 2 force = 0.00058391 -0.00055583 0.00009606\n atom 43 type 1 force = 0.00064460 -0.00146037 0.00390819\n atom 44 type 1 force = 0.00149389 -0.00072362 0.00135320\n atom 45 type 2 force = 0.00031198 0.00162142 -0.00213026\n atom 46 type 2 force = 0.00158381 -0.00086150 0.00069729\n atom 47 type 1 force = -0.00318383 -0.00003007 -0.00045866\n atom 48 type 1 force = 0.00020035 0.00255813 -0.00011101\n atom 49 type 2 force = 0.00236195 -0.00195843 -0.00171483\n atom 50 type 2 force = -0.00005273 -0.00110642 0.00057231\n\n Total force = 0.015450 Total SCF correction = 0.000028\n Energy error = 4.2E-04 Ry\n Gradient error = 4.0E-03 Ry/Bohr\n\n number of scf cycles = 78\n number of bfgs steps = 77\n\n energy old = -1655.7738656451 Ry\n energy new = -1655.7742822456 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.1420047710 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7940969439 9.6390999075 9.3214326929\nN 10.5598720410 9.7776708285 8.1571444249\nO 9.5774297997 9.1189148976 8.4630755775\nO 10.6687936750 10.7725311358 7.4775460346\nN 13.1846030307 8.3930852864 9.2158370518\nN 12.4132362201 6.9817730716 10.5726762983\nO 12.2848835329 7.4413518359 11.6832019079\nO 12.2349263845 5.9035337578 10.0752648092\nN 14.4746948112 8.0151893233 9.6418821868\nN 15.3366702657 8.4092359851 6.8550480849\nO 14.7736094592 9.4134368451 6.4608123661\nO 15.9007347325 7.5020989944 6.2795726174\nN 15.1484021928 8.8392957567 10.3333991902\nN 16.4673549573 8.5626770633 10.3229931892\nN 16.7878232826 6.6498209929 9.8944610875\nO 17.5054877800 6.4971704061 8.9457983030\nO 16.2317357384 5.9084511109 10.6584436325\nN 17.2476825759 9.2269871276 11.1536029501\nN 17.5328456564 8.4191858451 12.8749711486\nO 17.9074148687 7.2722687840 12.7952347802\nO 17.2353760293 9.1267735344 13.8018108935\nC 18.4649715932 9.5769811623 10.5475347407\nN 19.5344736453 8.6674964714 9.8859081593\nN 19.5288716602 9.6362740342 8.6331155515\nN 20.6073131856 10.4937920572 9.3368147592\nN 19.5324130924 11.3930909675 9.9878702866\nN 19.5190145281 10.4227104355 11.2377594810\nN 20.6051924289 9.5714043845 10.5428406643\nC 18.4687858342 10.4862412686 9.3162748336\nN 17.2640463703 10.8804634009 8.7042878083\nN 17.3421022706 11.4048343812 7.0389573875\nO 16.8073457119 12.4746441074 6.8648954523\nO 17.8210279212 10.5834615203 6.2972842702\nN 16.4591182369 11.5617710543 9.5018440000\nN 16.7957696522 13.4126088582 10.0265589678\nO 16.2331493676 14.2142769284 9.3328488216\nO 17.5230354811 13.4824869610 10.9783730032\nN 15.1502701697 11.2693408167 9.4667380683\nN 14.4432130614 12.0703861870 10.1527341264\nN 15.2879412745 11.6075534182 12.9206102219\nO 16.1259765648 12.3383542148 13.4010100682\nO 14.4497072701 10.8692015295 13.3920110486\nN 13.1388186229 11.6750970143 10.4993221400\nN 12.4211926732 13.1757573168 9.1311756380\nO 12.5257774516 12.8328484883 7.9798050456\nO 12.0893102939 14.1868373532 9.6913560384\nN 12.7731790187 10.4273881361 10.3637776517\nN 10.5680749130 10.4892823963 11.4991621471\nO 9.5713257698 10.7884840145 10.8549996484\nO 10.6836010025 10.1420568902 12.6507224764\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.748E-02 0.000E+00\n\n total cpu time spent up to now is 4202.5 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 1 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 40.0\n\n negative rho (up, down): 2.760E-02 0.000E+00\n\n total cpu time spent up to now is 4218.4 secs\n\n total energy = -1655.77417378 Ry\n estimated scf accuracy < 0.01171752 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.37E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 4222.5 secs\n\n total energy = -1655.77294819 Ry\n estimated scf accuracy < 0.19827667 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.37E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4226.7 secs\n\n total energy = -1655.77398701 Ry\n estimated scf accuracy < 0.00824054 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.07E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 4230.8 secs\n\n total energy = -1655.77417261 Ry\n estimated scf accuracy < 0.00143533 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.36E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 4235.2 secs\n\n total energy = -1655.77440213 Ry\n estimated scf accuracy < 0.00042392 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.58E-07, avg # of iterations = 10.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4240.0 secs\n\n total energy = -1655.77460676 Ry\n estimated scf accuracy < 0.00010317 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.85E-08, avg # of iterations = 13.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4245.4 secs\n\n total energy = -1655.77468756 Ry\n estimated scf accuracy < 0.00009021 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.37E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 4249.7 secs\n\n total energy = -1655.77468075 Ry\n estimated scf accuracy < 0.00004981 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.86E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 4254.3 secs\n\n total energy = -1655.77469203 Ry\n estimated scf accuracy < 0.00001358 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.07E-09, avg # of iterations = 7.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 4259.4 secs\n\n total energy = -1655.77470040 Ry\n estimated scf accuracy < 0.00000447 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.67E-09, avg # of iterations = 11.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 4264.8 secs\n\n total energy = -1655.77470514 Ry\n estimated scf accuracy < 0.00000260 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.69E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 4269.1 secs\n\n total energy = -1655.77470524 Ry\n estimated scf accuracy < 0.00000117 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.36E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 4273.7 secs\n\n total energy = -1655.77470543 Ry\n estimated scf accuracy < 0.00000270 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.36E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 4278.1 secs\n\n total energy = -1655.77470549 Ry\n estimated scf accuracy < 0.00000042 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.58E-10, avg # of iterations = 13.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 4283.1 secs\n\n total energy = -1655.77470572 Ry\n estimated scf accuracy < 0.00000067 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.58E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 4287.7 secs\n\n total energy = -1655.77470578 Ry\n estimated scf accuracy < 0.00000022 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.22E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 4292.3 secs\n\n total energy = -1655.77470583 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.47E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 4297.1 secs\n\n total energy = -1655.77470589 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 4302.5 secs\n\n total energy = -1655.77470592 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.75E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 4306.9 secs\n\n total energy = -1655.77470593 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.23E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4311.3 secs\n\n total energy = -1655.77470595 Ry\n estimated scf accuracy < 8.4E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.15E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 4315.9 secs\n\n total energy = -1655.77470596 Ry\n estimated scf accuracy < 4.6E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 4321.1 secs\n\n total energy = -1655.77470596 Ry\n estimated scf accuracy < 8.1E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4325.5 secs\n\n total energy = -1655.77470597 Ry\n estimated scf accuracy < 1.6E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.91E-13, avg # of iterations = 13.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4330.5 secs\n\n total energy = -1655.77470597 Ry\n estimated scf accuracy < 3.6E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.91E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4334.9 secs\n\n total energy = -1655.77470598 Ry\n estimated scf accuracy < 8.6E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.20E-13, avg # of iterations = 12.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4339.4 secs\n\n total energy = -1655.77470598 Ry\n estimated scf accuracy < 4.1E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.54E-13, avg # of iterations = 13.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 4343.7 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9099 -32.8344 -32.8304 -32.7470 -32.6142 -32.5546 -32.1805 -32.0384\n -32.0048 -31.9726 -30.7116 -29.6966 -29.3020 -29.0670 -28.9993 -28.8991\n -28.8665 -28.8504 -28.8067 -28.6539 -28.4541 -28.2757 -28.1338 -28.0856\n -27.5081 -26.8860 -25.6209 -24.8103 -24.4195 -24.0501 -22.8640 -22.0359\n -20.7564 -19.2101 -18.7355 -18.2381 -18.0801 -17.4289 -17.3786 -17.2691\n -17.0762 -16.9451 -16.6159 -16.5648 -16.5179 -16.4956 -16.4178 -16.3987\n -15.7924 -15.7450 -15.5173 -15.3384 -15.1973 -15.1124 -15.0024 -14.8776\n -14.7767 -14.7125 -14.6455 -14.6223 -14.5673 -14.4611 -14.4399 -14.3932\n -14.3385 -14.2952 -14.2659 -14.2208 -14.2033 -14.1751 -14.0172 -13.9951\n -13.9713 -13.9012 -13.8694 -13.8161 -13.7793 -13.7758 -13.7241 -13.6869\n -13.6268 -13.5731 -13.2616 -13.0802 -12.7627 -12.4493 -12.2082 -12.1283\n -11.8197 -11.5233 -11.4607 -11.3704 -10.9623 -10.8169 -10.4792 -10.0769\n -9.9334 -9.8119 -9.7711 -9.7006 -9.6363 -9.6143 -9.5945 -9.5744\n -9.5406 -9.3991 -9.3838 -9.3266 -9.2711 -9.2470 -9.1708 -9.0994\n -9.0361 -8.9926 -8.9694 -8.9171 -8.8197 -8.7559 -8.6656 -8.5561\n -8.5107 -8.2752 -8.1355 -8.0983 -7.7650 -7.6214 -7.3592 -7.2466\n -6.9849 -6.8770 -6.3852 -6.3690 -6.2898 -6.0852 -6.0717 -5.8623\n -5.5923 -4.9459 -4.8721 -4.8255 -4.4481 -4.1809 -4.1325 -4.0711\n -4.0187 -3.8968 -3.8226 -3.6836 -3.6792 -3.6416 -3.6242 -3.5203\n -3.4409 -3.2018 -3.0727 -2.8465 -2.4073 -2.2637 -0.8247 -0.4014\n -0.1671\n\n the Fermi energy is -6.0785 ev\n\n! total energy = -1655.77470599 Ry\n total all-electron energy = -6224.607054 Ry\n estimated scf accuracy < 1.4E-10 Ry\n smearing contrib. (-TS) = -0.00558734 Ry\n internal energy E=F+TS = -1655.76911865 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18360.88069369 Ry\n hartree contribution = 9213.33685173 Ry\n xc contribution = -312.75854528 Ry\n ewald contribution = 8232.50630517 Ry\n DFT-D3 Dispersion = -0.16487727 Ry\n one-center paw contrib. = -427.80815931 Ry\n\n convergence has been achieved in 28 iterations\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00150737 0.00107328 0.00015379\n atom 2 type 1 force = 0.00002055 0.00046625 0.00049465\n atom 3 type 2 force = 0.00021151 0.00099604 0.00130554\n atom 4 type 2 force = 0.00065952 -0.00112537 -0.00063517\n atom 5 type 1 force = 0.00049221 0.00054023 0.00105695\n atom 6 type 1 force = -0.00055751 0.00122792 -0.00080466\n atom 7 type 2 force = 0.00033403 -0.00133579 -0.00001877\n atom 8 type 2 force = -0.00037125 0.00031430 0.00039551\n atom 9 type 1 force = -0.00226439 -0.00181939 0.00124742\n atom 10 type 1 force = 0.00067231 -0.00219213 -0.00155796\n atom 11 type 2 force = 0.00126816 -0.00026965 0.00107316\n atom 12 type 2 force = -0.00164304 0.00192588 0.00175425\n atom 13 type 1 force = 0.00063340 -0.00060149 0.00234357\n atom 14 type 1 force = -0.00101197 -0.00048209 -0.00117474\n atom 15 type 1 force = 0.00314567 0.00039953 -0.00354758\n atom 16 type 2 force = -0.00041318 0.00264829 -0.00046866\n atom 17 type 2 force = -0.00300764 0.00048488 0.00376276\n atom 18 type 1 force = -0.00024133 0.00010087 0.00051842\n atom 19 type 1 force = -0.00197381 -0.00061258 -0.00019306\n atom 20 type 2 force = -0.00057217 -0.00080875 -0.00027250\n atom 21 type 2 force = 0.00035590 0.00271932 -0.00042167\n atom 22 type 3 force = -0.00091392 -0.00042242 0.00024955\n atom 23 type 1 force = 0.00090638 0.00090705 -0.00228119\n atom 24 type 1 force = 0.00002704 -0.00025549 0.00141769\n atom 25 type 1 force = 0.00040520 0.00031654 -0.00039587\n atom 26 type 1 force = 0.00044433 -0.00102886 -0.00014408\n atom 27 type 1 force = 0.00035277 -0.00004765 -0.00064146\n atom 28 type 1 force = 0.00070585 -0.00143723 0.00044669\n atom 29 type 3 force = 0.00038108 0.00004834 0.00021173\n atom 30 type 1 force = 0.00132855 0.00180041 -0.00096564\n atom 31 type 1 force = -0.00232751 -0.00003167 -0.00200105\n atom 32 type 2 force = -0.00035755 -0.00246466 0.00113618\n atom 33 type 2 force = 0.00131177 0.00220429 -0.00001564\n atom 34 type 1 force = 0.00013674 0.00071426 0.00186466\n atom 35 type 1 force = 0.00119259 0.00055839 0.00203258\n atom 36 type 2 force = -0.00085700 -0.00023949 -0.00245228\n atom 37 type 2 force = 0.00011068 -0.00167870 -0.00164702\n atom 38 type 1 force = 0.00039131 -0.00015714 -0.00181213\n atom 39 type 1 force = -0.00222006 0.00025974 -0.00148484\n atom 40 type 1 force = -0.00137792 -0.00092143 0.00135176\n atom 41 type 2 force = -0.00096201 -0.00054674 0.00046742\n atom 42 type 2 force = 0.00179557 0.00053086 -0.00152119\n atom 43 type 1 force = -0.00024343 -0.00109404 0.00264547\n atom 44 type 1 force = 0.00091976 -0.00023619 0.00031031\n atom 45 type 2 force = -0.00016714 0.00241756 -0.00051544\n atom 46 type 2 force = 0.00192191 -0.00169988 -0.00011455\n atom 47 type 1 force = -0.00197102 -0.00039472 0.00113082\n atom 48 type 1 force = 0.00088404 0.00211005 -0.00100430\n atom 49 type 2 force = 0.00116434 -0.00208211 -0.00151039\n atom 50 type 2 force = -0.00022673 -0.00077865 0.00023095\n\n Total force = 0.015891 Total SCF correction = 0.000028\n Energy error = 4.2E-04 Ry\n Gradient error = 3.8E-03 Ry/Bohr\n\n number of scf cycles = 79\n number of bfgs steps = 78\n\n energy old = -1655.7742822456 Ry\n energy new = -1655.7747059910 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0343067334 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7901965921 9.6387751802 9.3212867713\nN 10.5633550711 9.7714776713 8.1472181814\nO 9.5804832002 9.1150346062 8.4557084616\nO 10.6722808703 10.7643454497 7.4659663682\nN 13.1838982739 8.3943540802 9.2152797647\nN 12.4082277650 6.9749761275 10.5739181846\nO 12.2782576884 7.4395976416 11.6813664929\nO 12.2280806426 5.8957232972 10.0804597983\nN 14.4684511886 8.0176126175 9.6504695609\nN 15.3363392904 8.4076456970 6.8630475254\nO 14.7830950268 9.4181854190 6.4725969440\nO 15.8947845558 7.5002744540 6.2870077875\nN 15.1470796907 8.8450925358 10.3341573362\nN 16.4660863583 8.5619864482 10.3209916983\nN 16.7911188202 6.6516215675 9.8958235162\nO 17.5028249477 6.5022734508 8.9430292569\nO 16.2359306242 5.9089337617 10.6585101372\nN 17.2482808100 9.2249489886 11.1507531338\nN 17.5251538558 8.4247458002 12.8754062881\nO 17.8918328429 7.2742382168 12.8021762514\nO 17.2325680208 9.1369651910 13.8001419292\nC 18.4663553971 9.5742191896 10.5459611288\nN 19.5369852197 8.6670532597 9.8792278032\nN 19.5301520665 9.6411561936 8.6312293004\nN 20.6096238599 10.4948936503 9.3364627804\nN 19.5363082965 11.3913112744 9.9937972785\nN 19.5232499933 10.4159374502 11.2372382470\nN 20.6079674323 9.5670359930 10.5380365313\nC 18.4708461313 10.4888037968 9.3175069894\nN 17.2670778826 10.8842670869 8.7055744390\nN 17.3348702725 11.4043483989 7.0288000898\nO 16.7970526582 12.4650885400 6.8586836215\nO 17.8175401338 10.5903269478 6.2871942064\nN 16.4605328785 11.5592928641 9.5042908654\nN 16.7901854739 13.4161503900 10.0286827826\nO 16.2320466072 14.2192751624 9.3329293030\nO 17.5220637834 13.4850173458 10.9760791133\nN 15.1525069735 11.2614290994 9.4691371530\nN 14.4434504214 12.0663614072 10.1478795806\nN 15.2829960895 11.6093726301 12.9154304166\nO 16.1214899838 12.3359003129 13.4005853114\nO 14.4554558486 10.8587533262 13.3840233342\nN 13.1425670655 11.6712279440 10.5059586842\nN 12.4349317876 13.1812088384 9.1374982687\nO 12.5405922189 12.8393287221 7.9856181785\nO 12.1053569373 14.1924983223 9.6976836586\nN 12.7618448339 10.4303457618 10.3607778633\nN 10.5701880141 10.4953978475 11.5058168230\nO 9.5752077514 10.7915343731 10.8585181443\nO 10.6849208955 10.1393339283 12.6548644483\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 4353.8 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 3 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.765E-02 0.000E+00\n\n total cpu time spent up to now is 4364.6 secs\n\n total energy = -1655.77319338 Ry\n estimated scf accuracy < 0.01043653 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.89E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 4368.7 secs\n\n total energy = -1655.77114062 Ry\n estimated scf accuracy < 0.47080897 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.89E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.764E-02 0.000E+00\n\n total cpu time spent up to now is 4372.9 secs\n\n total energy = -1655.77443695 Ry\n estimated scf accuracy < 0.00092047 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.43E-07, avg # of iterations = 10.0\n\n negative rho (up, down): 2.740E-02 0.000E+00\n\n total cpu time spent up to now is 4377.3 secs\n\n total energy = -1655.77460786 Ry\n estimated scf accuracy < 0.00083907 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.13E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.727E-02 0.000E+00\n\n total cpu time spent up to now is 4381.6 secs\n\n total energy = -1655.77465784 Ry\n estimated scf accuracy < 0.00086352 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.13E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.719E-02 0.000E+00\n\n total cpu time spent up to now is 4385.8 secs\n\n total energy = -1655.77469232 Ry\n estimated scf accuracy < 0.00013390 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.00E-08, avg # of iterations = 14.0\n\n negative rho (up, down): 2.718E-02 0.000E+00\n\n total cpu time spent up to now is 4391.3 secs\n\n total energy = -1655.77488571 Ry\n estimated scf accuracy < 0.00077151 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.00E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.721E-02 0.000E+00\n\n total cpu time spent up to now is 4395.6 secs\n\n total energy = -1655.77488625 Ry\n estimated scf accuracy < 0.00058840 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.00E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.729E-02 0.000E+00\n\n total cpu time spent up to now is 4400.0 secs\n\n total energy = -1655.77488328 Ry\n estimated scf accuracy < 0.00027251 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.00E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.740E-02 0.000E+00\n\n total cpu time spent up to now is 4404.2 secs\n\n total energy = -1655.77488314 Ry\n estimated scf accuracy < 0.00011526 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.30E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.751E-02 0.000E+00\n\n total cpu time spent up to now is 4408.5 secs\n\n total energy = -1655.77488585 Ry\n estimated scf accuracy < 0.00000404 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 18.0\n\n negative rho (up, down): 2.750E-02 0.000E+00\n\n total cpu time spent up to now is 4415.4 secs\n\n total energy = -1655.77490262 Ry\n estimated scf accuracy < 0.00000444 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.749E-02 0.000E+00\n\n total cpu time spent up to now is 4419.6 secs\n\n total energy = -1655.77490277 Ry\n estimated scf accuracy < 0.00000409 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.751E-02 0.000E+00\n\n total cpu time spent up to now is 4423.9 secs\n\n total energy = -1655.77490266 Ry\n estimated scf accuracy < 0.00000407 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.763E-02 0.000E+00\n\n total cpu time spent up to now is 4428.1 secs\n\n total energy = -1655.77490173 Ry\n estimated scf accuracy < 0.00000376 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.40E-09, avg # of iterations = 3.0\n\n negative rho (up, down): 2.764E-02 0.000E+00\n\n total cpu time spent up to now is 4432.5 secs\n\n total energy = -1655.77490204 Ry\n estimated scf accuracy < 0.00000078 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.91E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.765E-02 0.000E+00\n\n total cpu time spent up to now is 4437.4 secs\n\n total energy = -1655.77490239 Ry\n estimated scf accuracy < 0.00000075 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.79E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.768E-02 0.000E+00\n\n total cpu time spent up to now is 4441.8 secs\n\n total energy = -1655.77490231 Ry\n estimated scf accuracy < 0.00000064 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.38E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.771E-02 0.000E+00\n\n total cpu time spent up to now is 4446.2 secs\n\n total energy = -1655.77490231 Ry\n estimated scf accuracy < 0.00000024 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.00E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.772E-02 0.000E+00\n\n total cpu time spent up to now is 4451.0 secs\n\n total energy = -1655.77490243 Ry\n estimated scf accuracy < 0.00000023 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.49E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.774E-02 0.000E+00\n\n total cpu time spent up to now is 4455.3 secs\n\n total energy = -1655.77490242 Ry\n estimated scf accuracy < 0.00000028 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.49E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.776E-02 0.000E+00\n\n total cpu time spent up to now is 4459.5 secs\n\n total energy = -1655.77490239 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.81E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 4463.9 secs\n\n total energy = -1655.77490233 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.06E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 4468.6 secs\n\n total energy = -1655.77490228 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.27E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 4473.4 secs\n\n total energy = -1655.77490228 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 4477.8 secs\n\n total energy = -1655.77490225 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 4482.2 secs\n\n total energy = -1655.77490223 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.52E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 4486.7 secs\n\n total energy = -1655.77490221 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.09E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 4491.6 secs\n\n total energy = -1655.77490222 Ry\n estimated scf accuracy < 5.3E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.98E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 4496.3 secs\n\n total energy = -1655.77490222 Ry\n estimated scf accuracy < 3.8E-09 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.43E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 4500.7 secs\n\n total energy = -1655.77490221 Ry\n estimated scf accuracy < 1.8E-09 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.82E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 4505.3 secs\n\n total energy = -1655.77490220 Ry\n estimated scf accuracy < 2.1E-09 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.82E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4509.6 secs\n\n total energy = -1655.77490219 Ry\n estimated scf accuracy < 5.9E-10 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-13, avg # of iterations = 13.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 4514.7 secs\n\n total energy = -1655.77490218 Ry\n estimated scf accuracy < 4.4E-10 Ry\n\n iteration # 35 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-13, avg # of iterations = 4.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 4518.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9679 -32.8923 -32.8449 -32.7286 -32.6308 -32.5485 -32.1874 -32.0752\n -32.0178 -31.9858 -30.7076 -29.6949 -29.2946 -29.0562 -29.0117 -29.0001\n -28.8673 -28.8404 -28.7994 -28.6545 -28.4500 -28.3078 -28.1404 -28.1067\n -27.5069 -26.8798 -25.6193 -24.8060 -24.4101 -24.0431 -22.8629 -22.0251\n -20.7512 -19.2159 -18.7207 -18.2405 -18.0523 -17.4134 -17.3596 -17.2673\n -17.0665 -16.9389 -16.6133 -16.5541 -16.5202 -16.4973 -16.4242 -16.3988\n -15.7894 -15.7335 -15.5117 -15.3402 -15.1928 -15.1149 -14.9970 -14.8748\n -14.7940 -14.7169 -14.6442 -14.6349 -14.5734 -14.4591 -14.4383 -14.3856\n -14.3254 -14.2922 -14.2540 -14.2317 -14.2270 -14.1676 -14.0228 -13.9869\n -13.9705 -13.9142 -13.8947 -13.8254 -13.7923 -13.7826 -13.7264 -13.6925\n -13.6419 -13.5930 -13.2675 -13.0790 -12.7516 -12.4500 -12.2043 -12.1209\n -11.8219 -11.5267 -11.4558 -11.3616 -10.9546 -10.8075 -10.4879 -10.0762\n -9.9289 -9.8065 -9.7677 -9.6893 -9.6363 -9.6207 -9.6128 -9.5664\n -9.5383 -9.3895 -9.3760 -9.3385 -9.2753 -9.2430 -9.1629 -9.1005\n -9.0387 -8.9865 -8.9724 -8.9195 -8.8121 -8.7672 -8.6653 -8.5714\n -8.5138 -8.2682 -8.1326 -8.0947 -7.7670 -7.6079 -7.3452 -7.2355\n -6.9884 -6.8626 -6.3788 -6.3592 -6.2781 -6.0800 -6.0660 -5.8563\n -5.5989 -4.9343 -4.8568 -4.8219 -4.4422 -4.1667 -4.1110 -4.0434\n -4.0081 -3.8946 -3.8131 -3.6773 -3.6636 -3.6359 -3.6225 -3.5209\n -3.4371 -3.1972 -3.0609 -2.8346 -2.4053 -2.2609 -0.7978 -0.4006\n -0.1652\n\n the Fermi energy is -6.0730 ev\n\n! total energy = -1655.77490215 Ry\n total all-electron energy = -6224.607250 Ry\n estimated scf accuracy < 3.5E-10 Ry\n smearing contrib. (-TS) = -0.00558325 Ry\n internal energy E=F+TS = -1655.76931890 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18362.45276994 Ry\n hartree contribution = 9214.13325114 Ry\n xc contribution = -312.79150971 Ry\n ewald contribution = 8233.31434823 Ry\n DFT-D3 Dispersion = -0.16489528 Ry\n one-center paw contrib. = -427.80774335 Ry\n\n convergence has been achieved in 35 iterations\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00029956 0.00166821 -0.00035014\n atom 2 type 1 force = 0.00014017 -0.00023285 0.00167941\n atom 3 type 2 force = -0.00108473 0.00024908 0.00178085\n atom 4 type 2 force = 0.00083196 0.00082723 -0.00189644\n atom 5 type 1 force = 0.00051344 0.00096331 0.00212699\n atom 6 type 1 force = -0.00032761 0.00208413 -0.00203788\n atom 7 type 2 force = 0.00018213 -0.00067508 0.00197812\n atom 8 type 2 force = -0.00022469 -0.00070923 -0.00046391\n atom 9 type 1 force = -0.00028059 -0.00253682 0.00063492\n atom 10 type 1 force = -0.00087743 0.00006832 0.00186025\n atom 11 type 2 force = 0.00034575 0.00135390 0.00027010\n atom 12 type 2 force = 0.00080737 -0.00201457 -0.00095353\n atom 13 type 1 force = 0.00021267 -0.00270167 0.00209075\n atom 14 type 1 force = -0.00084237 0.00048339 -0.00023739\n atom 15 type 1 force = 0.00077740 0.00150401 -0.00327908\n atom 16 type 2 force = 0.00123465 0.00215171 -0.00174164\n atom 17 type 2 force = -0.00312190 -0.00031911 0.00452930\n atom 18 type 1 force = 0.00042482 0.00085538 0.00036276\n atom 19 type 1 force = -0.00104721 -0.00254895 0.00039805\n atom 20 type 2 force = -0.00069467 0.00000730 -0.00077770\n atom 21 type 2 force = 0.00005114 0.00357782 -0.00060510\n atom 22 type 3 force = -0.00010804 -0.00050484 -0.00016188\n atom 23 type 1 force = 0.00022182 0.00052075 -0.00262523\n atom 24 type 1 force = 0.00072379 -0.00043217 0.00080904\n atom 25 type 1 force = 0.00075102 0.00043528 -0.00028760\n atom 26 type 1 force = 0.00003903 -0.00014757 -0.00104679\n atom 27 type 1 force = -0.00019902 -0.00025550 0.00040208\n atom 28 type 1 force = 0.00061673 -0.00127218 0.00140523\n atom 29 type 3 force = 0.00041102 -0.00050248 -0.00008473\n atom 30 type 1 force = 0.00253120 -0.00015885 -0.00079152\n atom 31 type 1 force = 0.00287649 -0.00750210 0.00523194\n atom 32 type 2 force = -0.00984711 0.01488805 -0.00061737\n atom 33 type 2 force = 0.00559340 -0.00661369 -0.00483549\n atom 34 type 1 force = -0.00036009 0.00137279 0.00103639\n atom 35 type 1 force = 0.00125338 -0.00050791 0.00017915\n atom 36 type 2 force = -0.00169370 -0.00013888 -0.00287576\n atom 37 type 2 force = 0.00117004 -0.00115789 0.00074567\n atom 38 type 1 force = -0.00046672 0.00099575 -0.00232139\n atom 39 type 1 force = -0.00194234 -0.00083720 0.00049943\n atom 40 type 1 force = -0.00037782 -0.00018814 0.00088450\n atom 41 type 2 force = 0.00040928 0.00074897 0.00044340\n atom 42 type 2 force = -0.00056056 -0.00146057 -0.00098551\n atom 43 type 1 force = -0.00116882 -0.00041785 0.00045604\n atom 44 type 1 force = 0.00053934 -0.00086943 -0.00032722\n atom 45 type 2 force = -0.00050297 0.00214001 -0.00053018\n atom 46 type 2 force = 0.00136116 -0.00027826 0.00043274\n atom 47 type 1 force = 0.00008115 -0.00088459 0.00265947\n atom 48 type 1 force = 0.00125729 0.00087448 -0.00133958\n atom 49 type 2 force = -0.00007788 -0.00180323 -0.00104799\n atom 50 type 2 force = 0.00014904 -0.00009827 -0.00067555\n\n Total force = 0.027155 Total SCF correction = 0.000048\n Energy error = 2.0E-04 Ry\n Gradient error = 1.5E-02 Ry/Bohr\n\n number of scf cycles = 80\n number of bfgs steps = 79\n\n energy old = -1655.7747059910 Ry\n energy new = -1655.7749021549 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0754748134 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7907268339 9.6317598915 9.3233082344\nN 10.5625230272 9.7614300690 8.1478548113\nO 9.5794043116 9.1035582918 8.4534794568\nO 10.6718747368 10.7576886763 7.4707243295\nN 13.1872715456 8.3882049495 9.2161408146\nN 12.4132825302 6.9675450696 10.5789729597\nO 12.2788991387 7.4378238058 11.6839222168\nO 12.2373647886 5.8845054811 10.0912203658\nN 14.4714587029 8.0144320763 9.6524144942\nN 15.3452572047 8.4047188791 6.8673553759\nO 14.7897086419 9.4137924167 6.4766894137\nO 15.8937871403 7.4925698174 6.2885426241\nN 15.1482823223 8.8446102761 10.3356990211\nN 16.4682674127 8.5674299050 10.3199485506\nN 16.8048370698 6.6565355732 9.8881717373\nO 17.5126929005 6.5150371321 8.9311816706\nO 16.2540698055 5.9095535579 10.6509995972\nN 17.2479206962 9.2346360204 11.1493683763\nN 17.5290704293 8.4352014502 12.8769291171\nO 17.8933250903 7.2836164169 12.8038734030\nO 17.2426264136 9.1499947853 13.8019603088\nC 18.4651880724 9.5852877630 10.5429916897\nN 19.5362123844 8.6766278317 9.8780881520\nN 19.5288503418 9.6461372029 8.6278148508\nN 20.6086611990 10.5024059210 9.3296789499\nN 19.5352308187 11.4003953848 9.9841812062\nN 19.5224413266 10.4300753174 11.2307641860\nN 20.6070705959 9.5779802773 10.5347273167\nC 18.4695097668 10.4957662427 9.3114520416\nN 17.2652452582 10.8902355127 8.6998704474\nN 17.3209552005 11.4047353981 7.0222977326\nO 16.7587832559 12.4578572408 6.8498332591\nO 17.8193038841 10.5962451896 6.2831096251\nN 16.4572585174 11.5607590594 9.5019646283\nN 16.7819137549 13.4170505097 10.0336503915\nO 16.2273939352 14.2222715822 9.3363363987\nO 17.5108628979 13.4825713656 10.9838946612\nN 15.1499721743 11.2585480448 9.4686546752\nN 14.4396507895 12.0615413147 10.1483643734\nN 15.2864611111 11.6090155540 12.9147892881\nO 16.1256197013 12.3371647540 13.3964348835\nO 14.4617390442 10.8580594810 13.3868402480\nN 13.1410503282 11.6622817134 10.5123483183\nN 12.4328797513 13.1745199017 9.1432777246\nO 12.5374173273 12.8334580085 7.9909584454\nO 12.1036513223 14.1858114555 9.7033844382\nN 12.7593424035 10.4222338451 10.3634211373\nN 10.5692408252 10.4885495147 11.5109436117\nO 9.5744995419 10.7806411893 10.8618251747\nO 10.6836367713 10.1328071420 12.6601469991\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 4528.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 32.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 4541.6 secs\n\n total energy = -1655.77423937 Ry\n estimated scf accuracy < 0.00629158 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.35E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 4545.7 secs\n\n total energy = -1655.77249319 Ry\n estimated scf accuracy < 0.33398786 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.35E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4549.8 secs\n\n total energy = -1655.77478522 Ry\n estimated scf accuracy < 0.00120654 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.50E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4554.0 secs\n\n total energy = -1655.77483576 Ry\n estimated scf accuracy < 0.00054042 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.02E-07, avg # of iterations = 8.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4558.4 secs\n\n total energy = -1655.77493165 Ry\n estimated scf accuracy < 0.00022895 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.54E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4563.5 secs\n\n total energy = -1655.77508239 Ry\n estimated scf accuracy < 0.00006399 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.39E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4568.4 secs\n\n total energy = -1655.77511706 Ry\n estimated scf accuracy < 0.00003007 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.12E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4572.9 secs\n\n total energy = -1655.77511615 Ry\n estimated scf accuracy < 0.00001996 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.45E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4577.7 secs\n\n total energy = -1655.77512475 Ry\n estimated scf accuracy < 0.00000252 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.41E-10, avg # of iterations = 15.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 4583.6 secs\n\n total energy = -1655.77512914 Ry\n estimated scf accuracy < 0.00000188 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.02E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 4588.1 secs\n\n total energy = -1655.77512938 Ry\n estimated scf accuracy < 0.00000156 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.82E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 4592.4 secs\n\n total energy = -1655.77512944 Ry\n estimated scf accuracy < 0.00000227 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.82E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4596.7 secs\n\n total energy = -1655.77512955 Ry\n estimated scf accuracy < 0.00000130 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.84E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 4600.9 secs\n\n total energy = -1655.77512961 Ry\n estimated scf accuracy < 0.00000019 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.00E-11, avg # of iterations = 15.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 4607.1 secs\n\n total energy = -1655.77513006 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.79E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 4611.5 secs\n\n total energy = -1655.77513008 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.27E-11, avg # of iterations = 15.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 4616.6 secs\n\n total energy = -1655.77513010 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.12E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 4621.3 secs\n\n total energy = -1655.77513011 Ry\n estimated scf accuracy < 6.5E-09 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.42E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4626.4 secs\n\n total energy = -1655.77513011 Ry\n estimated scf accuracy < 5.0E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.85E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4631.1 secs\n\n total energy = -1655.77513011 Ry\n estimated scf accuracy < 2.0E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.34E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4636.1 secs\n\n total energy = -1655.77513011 Ry\n estimated scf accuracy < 1.1E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.16E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4640.4 secs\n\n total energy = -1655.77513011 Ry\n estimated scf accuracy < 5.9E-10 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.22E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4645.2 secs\n\n total energy = -1655.77513012 Ry\n estimated scf accuracy < 2.6E-10 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 4649.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9044 -32.8704 -32.8365 -32.7189 -32.6207 -32.5460 -32.1946 -32.0674\n -32.0217 -31.9806 -30.7089 -29.6931 -29.2901 -29.0500 -29.0125 -28.9513\n -28.8584 -28.8337 -28.7940 -28.6513 -28.4560 -28.2951 -28.1416 -28.1089\n -27.5023 -26.8758 -25.6167 -24.8104 -24.4095 -24.0419 -22.8621 -22.0245\n -20.7501 -19.2137 -18.7174 -18.2402 -18.0574 -17.4087 -17.3567 -17.2624\n -17.0623 -16.9365 -16.6128 -16.5563 -16.5213 -16.4943 -16.4281 -16.4000\n -15.7895 -15.7323 -15.5097 -15.3289 -15.1945 -15.1081 -14.9870 -14.8677\n -14.7757 -14.7092 -14.6377 -14.6255 -14.5679 -14.4530 -14.4331 -14.3825\n -14.3249 -14.2960 -14.2531 -14.2279 -14.2189 -14.1637 -14.0221 -13.9903\n -13.9745 -13.9060 -13.8863 -13.8281 -13.7971 -13.7824 -13.7269 -13.6915\n -13.6409 -13.5889 -13.2692 -13.0783 -12.7473 -12.4469 -12.2041 -12.1204\n -11.8204 -11.5286 -11.4542 -11.3625 -10.9524 -10.8065 -10.4845 -10.0757\n -9.9275 -9.8045 -9.7669 -9.6886 -9.6309 -9.6183 -9.6059 -9.5629\n -9.5414 -9.3926 -9.3765 -9.3310 -9.2765 -9.2402 -9.1660 -9.0982\n -9.0389 -8.9883 -8.9730 -8.9182 -8.8117 -8.7579 -8.6680 -8.5778\n -8.5148 -8.2667 -8.1354 -8.0986 -7.7693 -7.6086 -7.3462 -7.2329\n -6.9908 -6.8633 -6.3805 -6.3578 -6.2770 -6.0822 -6.0682 -5.8602\n -5.6055 -4.9399 -4.8649 -4.8260 -4.4501 -4.1684 -4.1222 -4.0512\n -4.0146 -3.8988 -3.8102 -3.6780 -3.6648 -3.6323 -3.6237 -3.5254\n -3.4423 -3.1964 -3.0617 -2.8369 -2.4092 -2.2651 -0.7869 -0.4010\n -0.1658\n\n the Fermi energy is -6.0752 ev\n\n! total energy = -1655.77513013 Ry\n total all-electron energy = -6224.607478 Ry\n estimated scf accuracy < 1.8E-10 Ry\n smearing contrib. (-TS) = -0.00558255 Ry\n internal energy E=F+TS = -1655.76954758 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18363.46629059 Ry\n hartree contribution = 9214.65228436 Ry\n xc contribution = -312.76953804 Ry\n ewald contribution = 8233.78706532 Ry\n DFT-D3 Dispersion = -0.16499966 Ry\n one-center paw contrib. = -427.80806898 Ry\n\n convergence has been achieved in 24 iterations\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00002652 0.00131141 -0.00018735\n atom 2 type 1 force = -0.00017374 0.00057848 0.00116168\n atom 3 type 2 force = -0.00048377 0.00082168 0.00156576\n atom 4 type 2 force = 0.00021048 -0.00037218 -0.00116262\n atom 5 type 1 force = 0.00032966 0.00117845 0.00234891\n atom 6 type 1 force = -0.00073105 0.00149305 -0.00168186\n atom 7 type 2 force = 0.00029357 -0.00109931 0.00117851\n atom 8 type 2 force = -0.00005340 0.00050100 -0.00009267\n atom 9 type 1 force = 0.00040913 -0.00225113 0.00080373\n atom 10 type 1 force = -0.00044070 -0.00075159 0.00108036\n atom 11 type 2 force = -0.00000534 0.00194621 0.00044876\n atom 12 type 2 force = 0.00066395 -0.00184711 -0.00040805\n atom 13 type 1 force = 0.00018446 -0.00332364 0.00156474\n atom 14 type 1 force = -0.00040179 0.00086076 0.00040553\n atom 15 type 1 force = -0.00070002 0.00121918 -0.00228775\n atom 16 type 2 force = 0.00063744 0.00162943 -0.00063873\n atom 17 type 2 force = -0.00147242 0.00063331 0.00258566\n atom 18 type 1 force = 0.00050708 0.00072751 -0.00022552\n atom 19 type 1 force = -0.00059600 -0.00276236 0.00067514\n atom 20 type 2 force = -0.00117397 0.00082765 -0.00064987\n atom 21 type 2 force = 0.00014098 0.00298414 -0.00124666\n atom 22 type 3 force = -0.00001175 -0.00087984 0.00001957\n atom 23 type 1 force = 0.00002232 0.00033097 -0.00202840\n atom 24 type 1 force = 0.00098854 -0.00038111 0.00046919\n atom 25 type 1 force = 0.00086082 0.00027855 -0.00020899\n atom 26 type 1 force = -0.00000138 0.00001348 -0.00100018\n atom 27 type 1 force = -0.00029236 -0.00075645 0.00063614\n atom 28 type 1 force = 0.00066176 -0.00088563 0.00110967\n atom 29 type 3 force = 0.00052893 -0.00005363 -0.00045544\n atom 30 type 1 force = 0.00126393 0.00047806 0.00009290\n atom 31 type 1 force = -0.00086494 0.00055733 0.00301034\n atom 32 type 2 force = -0.00351926 0.00243790 0.00028300\n atom 33 type 2 force = 0.00331124 -0.00235670 -0.00283054\n atom 34 type 1 force = -0.00006577 0.00079740 -0.00018066\n atom 35 type 1 force = 0.00119218 0.00008330 -0.00050207\n atom 36 type 2 force = -0.00071615 -0.00128631 -0.00155954\n atom 37 type 2 force = 0.00046022 -0.00077894 -0.00021719\n atom 38 type 1 force = -0.00055872 0.00129596 -0.00206322\n atom 39 type 1 force = -0.00172203 -0.00157839 0.00098712\n atom 40 type 1 force = 0.00027326 0.00039815 0.00085785\n atom 41 type 2 force = 0.00028389 0.00068121 0.00040925\n atom 42 type 2 force = -0.00118963 -0.00203811 -0.00077642\n atom 43 type 1 force = -0.00116863 -0.00039014 -0.00048545\n atom 44 type 1 force = 0.00025292 -0.00075120 -0.00098131\n atom 45 type 2 force = -0.00040119 0.00183355 -0.00038189\n atom 46 type 2 force = 0.00126698 0.00019227 0.00095537\n atom 47 type 1 force = 0.00082555 -0.00043450 0.00288969\n atom 48 type 1 force = 0.00121857 0.00035003 -0.00129273\n atom 49 type 2 force = -0.00048482 -0.00159430 -0.00113099\n atom 50 type 2 force = 0.00041447 0.00013217 -0.00086278\n\n Total force = 0.014799 Total SCF correction = 0.000031\n Energy error = 2.3E-04 Ry\n Gradient error = 3.5E-03 Ry/Bohr\n\n number of scf cycles = 81\n number of bfgs steps = 80\n\n energy old = -1655.7749021549 Ry\n energy new = -1655.7751301289 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0273101077 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7923230465 9.6311400597 9.3249750935\nN 10.5619393118 9.7602473325 8.1495006863\nO 9.5793095326 9.1033318242 8.4585192920\nO 10.6702017377 10.7566094620 7.4716675487\nN 13.1896979982 8.3875093154 9.2182162020\nN 12.4173155821 6.9677199796 10.5785839336\nO 12.2835532631 7.4384984698 11.6835207993\nO 12.2424907284 5.8831850751 10.0935508513\nN 14.4740464551 8.0127705902 9.6528422895\nN 15.3479415975 8.4047617191 6.8711849688\nO 14.7903398650 9.4132321772 6.4792515531\nO 15.8916578502 7.4895019406 6.2903732407\nN 15.1485116788 8.8415071277 10.3397058253\nN 16.4692030318 8.5718693786 10.3193142456\nN 16.8092395409 6.6611391734 9.8836937415\nO 17.5153478370 6.5217337052 8.9256932223\nO 16.2584406013 5.9157104378 10.6492195256\nN 17.2476495328 9.2395782254 11.1500313813\nN 17.5297780550 8.4381916317 12.8766017088\nO 17.8947292974 7.2876381525 12.8034988619\nO 17.2473745146 9.1571098285 13.7994348876\nC 18.4645629896 9.5900236540 10.5427976516\nN 19.5355873315 8.6802165583 9.8778504854\nN 19.5289429113 9.6463634913 8.6277033261\nN 20.6088914775 10.5041448285 9.3268341021\nN 19.5356793067 11.4035956220 9.9792958883\nN 19.5225197726 10.4360727568 11.2287244404\nN 20.6068628274 9.5811286589 10.5348992505\nC 18.4696077337 10.4980050097 9.3088886128\nN 17.2651953646 10.8925606703 8.6971239198\nN 17.3140811367 11.4042564627 7.0225645715\nO 16.7445210140 12.4555599429 6.8494234966\nO 17.8225784905 10.5980685952 6.2834336119\nN 16.4559540498 11.5591368753 9.5021495453\nN 16.7788630156 13.4144577561 10.0346212359\nO 16.2260370768 14.2186263599 9.3344407246\nO 17.5061863121 13.4789051642 10.9861936614\nN 15.1483850465 11.2555998735 9.4675113620\nN 14.4370530419 12.0564661563 10.1483263411\nN 15.2878311972 11.6069227995 12.9132181563\nO 16.1255293423 12.3383699014 13.3929854383\nO 14.4621509929 10.8566642458 13.3861598884\nN 13.1397051219 11.6587088079 10.5155282446\nN 12.4329026132 13.1690324989 9.1453575605\nO 12.5349980381 12.8309684966 7.9917563507\nO 12.1029365883 14.1796297172 9.7071470480\nN 12.7558882657 10.4195486986 10.3669456783\nN 10.5698514830 10.4867784231 11.5107513950\nO 9.5748969535 10.7723398709 10.8590292483\nO 10.6834024911 10.1305407568 12.6597606387\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 4659.4 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 4668.5 secs\n\n total energy = -1655.77385028 Ry\n estimated scf accuracy < 0.00800544 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.99E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.839E-02 0.000E+00\n\n total cpu time spent up to now is 4672.6 secs\n\n total energy = -1655.77151804 Ry\n estimated scf accuracy < 0.48848672 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.99E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.858E-02 0.000E+00\n\n total cpu time spent up to now is 4676.7 secs\n\n total energy = -1655.77500408 Ry\n estimated scf accuracy < 0.00028145 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-07, avg # of iterations = 12.0\n\n negative rho (up, down): 2.858E-02 0.000E+00\n\n total cpu time spent up to now is 4682.0 secs\n\n total energy = -1655.77529270 Ry\n estimated scf accuracy < 0.00025591 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.55E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.855E-02 0.000E+00\n\n total cpu time spent up to now is 4686.3 secs\n\n total energy = -1655.77530291 Ry\n estimated scf accuracy < 0.00029620 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.55E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.850E-02 0.000E+00\n\n total cpu time spent up to now is 4690.5 secs\n\n total energy = -1655.77531216 Ry\n estimated scf accuracy < 0.00003562 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.33E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.839E-02 0.000E+00\n\n total cpu time spent up to now is 4696.1 secs\n\n total energy = -1655.77535830 Ry\n estimated scf accuracy < 0.00001810 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.75E-09, avg # of iterations = 3.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 4700.6 secs\n\n total energy = -1655.77535936 Ry\n estimated scf accuracy < 0.00003275 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.75E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 4704.9 secs\n\n total energy = -1655.77536072 Ry\n estimated scf accuracy < 0.00003297 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.75E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4709.2 secs\n\n total energy = -1655.77536147 Ry\n estimated scf accuracy < 0.00001430 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.34E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 4713.4 secs\n\n total energy = -1655.77536210 Ry\n estimated scf accuracy < 0.00002969 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.34E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 4717.7 secs\n\n total energy = -1655.77536265 Ry\n estimated scf accuracy < 0.00000027 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.97E-11, avg # of iterations = 39.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 4729.3 secs\n\n total energy = -1655.77536647 Ry\n estimated scf accuracy < 0.00000038 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.97E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 4733.6 secs\n\n total energy = -1655.77536641 Ry\n estimated scf accuracy < 0.00000031 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.97E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 4737.9 secs\n\n total energy = -1655.77536637 Ry\n estimated scf accuracy < 0.00000018 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.75E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 4742.2 secs\n\n total energy = -1655.77536636 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.97E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 4746.7 secs\n\n total energy = -1655.77536639 Ry\n estimated scf accuracy < 0.00000009 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.38E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 4751.0 secs\n\n total energy = -1655.77536638 Ry\n estimated scf accuracy < 0.00000015 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.38E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 4755.3 secs\n\n total energy = -1655.77536636 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.14E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 4759.6 secs\n\n total energy = -1655.77536633 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.21E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 4764.0 secs\n\n total energy = -1655.77536632 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.36E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 4768.8 secs\n\n total energy = -1655.77536632 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.59E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 4773.2 secs\n\n total energy = -1655.77536630 Ry\n estimated scf accuracy < 5.1E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.90E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 4778.0 secs\n\n total energy = -1655.77536627 Ry\n estimated scf accuracy < 3.5E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.30E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 4782.3 secs\n\n total energy = -1655.77536624 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.21E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 4786.9 secs\n\n total energy = -1655.77536623 Ry\n estimated scf accuracy < 2.4E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.21E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 4791.2 secs\n\n total energy = -1655.77536622 Ry\n estimated scf accuracy < 9.5E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.56E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 4795.7 secs\n\n total energy = -1655.77536621 Ry\n estimated scf accuracy < 3.1E-10 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.15E-13, avg # of iterations = 14.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 4801.1 secs\n\n total energy = -1655.77536621 Ry\n estimated scf accuracy < 2.3E-10 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4804.7 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8896 -32.8360 -32.8297 -32.7370 -32.6174 -32.5347 -32.1892 -32.0362\n -32.0284 -31.9792 -30.7062 -29.6934 -29.2895 -29.0556 -29.0230 -28.9115\n -28.8597 -28.8496 -28.7789 -28.6499 -28.4567 -28.2642 -28.1466 -28.1107\n -27.5013 -26.8764 -25.6172 -24.8147 -24.4092 -24.0389 -22.8581 -22.0280\n -20.7487 -19.2176 -18.7154 -18.2381 -18.0722 -17.4128 -17.3600 -17.2633\n -17.0632 -16.9360 -16.6131 -16.5622 -16.5245 -16.4908 -16.4316 -16.4013\n -15.7900 -15.7359 -15.5125 -15.3286 -15.1982 -15.1044 -14.9912 -14.8684\n -14.7677 -14.7090 -14.6381 -14.6191 -14.5678 -14.4566 -14.4377 -14.3748\n -14.3278 -14.3043 -14.2646 -14.2238 -14.2090 -14.1560 -14.0275 -13.9944\n -13.9745 -13.8916 -13.8650 -13.8313 -13.8018 -13.7818 -13.7257 -13.6891\n -13.6386 -13.5745 -13.2666 -13.0758 -12.7474 -12.4430 -12.2000 -12.1176\n -11.8182 -11.5259 -11.4515 -11.3662 -10.9515 -10.8068 -10.4801 -10.0762\n -9.9250 -9.8040 -9.7706 -9.6933 -9.6295 -9.6161 -9.5974 -9.5576\n -9.5465 -9.3977 -9.3773 -9.3180 -9.2811 -9.2451 -9.1772 -9.0922\n -9.0354 -8.9979 -8.9712 -8.9182 -8.8153 -8.7438 -8.6709 -8.5823\n -8.5163 -8.2631 -8.1369 -8.1017 -7.7636 -7.6125 -7.3472 -7.2289\n -6.9945 -6.8646 -6.3844 -6.3571 -6.2782 -6.0845 -6.0706 -5.8630\n -5.6062 -4.9377 -4.8653 -4.8210 -4.4428 -4.1754 -4.1321 -4.0589\n -4.0207 -3.8981 -3.8091 -3.6795 -3.6722 -3.6333 -3.6260 -3.5275\n -3.4418 -3.1905 -3.0616 -2.8386 -2.4060 -2.2626 -0.7763 -0.4017\n -0.1664\n\n the Fermi energy is -6.0776 ev\n\n! total energy = -1655.77536620 Ry\n total all-electron energy = -6224.607714 Ry\n estimated scf accuracy < 1.6E-10 Ry\n smearing contrib. (-TS) = -0.00558431 Ry\n internal energy E=F+TS = -1655.76978190 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18368.97952257 Ry\n hartree contribution = 9217.41360501 Ry\n xc contribution = -312.75770436 Ry\n ewald contribution = 8236.52711078 Ry\n DFT-D3 Dispersion = -0.16516672 Ry\n one-center paw contrib. = -427.80810402 Ry\n\n convergence has been achieved in 30 iterations\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00029622 0.00025663 0.00031598\n atom 2 type 1 force = 0.00006154 0.00138607 0.00076148\n atom 3 type 2 force = -0.00032852 0.00080401 0.00120547\n atom 4 type 2 force = 0.00082425 -0.00131729 -0.00061982\n atom 5 type 1 force = -0.00055202 0.00069262 0.00168975\n atom 6 type 1 force = -0.00105818 0.00106059 -0.00114330\n atom 7 type 2 force = 0.00026620 -0.00082722 0.00112106\n atom 8 type 2 force = 0.00000726 0.00071080 -0.00049302\n atom 9 type 1 force = -0.00003632 -0.00220433 0.00049022\n atom 10 type 1 force = -0.00018386 -0.00104943 -0.00124169\n atom 11 type 2 force = 0.00093081 0.00024265 0.00128004\n atom 12 type 2 force = -0.00053648 0.00013620 0.00105678\n atom 13 type 1 force = 0.00086152 -0.00155577 0.00158388\n atom 14 type 1 force = -0.00013861 0.00012630 0.00024186\n atom 15 type 1 force = -0.00238439 0.00167853 0.00013131\n atom 16 type 2 force = 0.00073272 0.00056246 -0.00071784\n atom 17 type 2 force = 0.00017519 0.00087389 0.00042356\n atom 18 type 1 force = 0.00046188 0.00035981 -0.00020475\n atom 19 type 1 force = -0.00039169 -0.00043394 -0.00049330\n atom 20 type 2 force = -0.00108291 -0.00055769 -0.00012628\n atom 21 type 2 force = 0.00002610 0.00229383 -0.00039340\n atom 22 type 3 force = 0.00027780 -0.00064378 -0.00065274\n atom 23 type 1 force = 0.00025159 -0.00006127 -0.00072082\n atom 24 type 1 force = 0.00079682 0.00003567 -0.00017499\n atom 25 type 1 force = 0.00058616 -0.00014184 0.00040925\n atom 26 type 1 force = -0.00011041 -0.00019877 -0.00041221\n atom 27 type 1 force = -0.00038051 -0.00085237 0.00014813\n atom 28 type 1 force = 0.00036097 -0.00016327 0.00014193\n atom 29 type 3 force = 0.00049758 -0.00021024 -0.00043738\n atom 30 type 1 force = 0.00026422 0.00040547 0.00060896\n atom 31 type 1 force = 0.00085207 0.00088114 -0.00068498\n atom 32 type 2 force = -0.00089890 -0.00337471 0.00031036\n atom 33 type 2 force = -0.00054951 0.00316710 0.00117634\n atom 34 type 1 force = -0.00041469 0.00091783 -0.00069009\n atom 35 type 1 force = 0.00077507 -0.00052965 -0.00117327\n atom 36 type 2 force = -0.00011259 -0.00113373 -0.00060315\n atom 37 type 2 force = 0.00021394 -0.00008502 -0.00057392\n atom 38 type 1 force = -0.00053921 0.00046994 -0.00185725\n atom 39 type 1 force = -0.00049566 -0.00049114 0.00141349\n atom 40 type 1 force = -0.00021866 0.00001871 0.00125781\n atom 41 type 2 force = -0.00064703 -0.00015977 0.00039613\n atom 42 type 2 force = 0.00019077 -0.00082801 -0.00109401\n atom 43 type 1 force = -0.00128722 0.00007240 -0.00083492\n atom 44 type 1 force = -0.00049713 0.00070749 -0.00117782\n atom 45 type 2 force = -0.00013829 0.00143003 0.00013606\n atom 46 type 2 force = 0.00155470 -0.00038028 0.00078382\n atom 47 type 1 force = 0.00103038 -0.00100922 0.00254927\n atom 48 type 1 force = 0.00047785 -0.00030591 -0.00151399\n atom 49 type 2 force = -0.00046047 -0.00115392 -0.00084916\n atom 50 type 2 force = 0.00066964 0.00037840 -0.00074882\n\n Total force = 0.011216 Total SCF correction = 0.000033\n Energy error = 2.4E-04 Ry\n Gradient error = 3.4E-03 Ry/Bohr\n\n number of scf cycles = 82\n number of bfgs steps = 81\n\n energy old = -1655.7751301289 Ry\n energy new = -1655.7753662014 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0190610140 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7950936322 9.6361708144 9.3256266014\nN 10.5628954706 9.7647858426 8.1501576530\nO 9.5805967136 9.1101614147 8.4658295897\nO 10.6707222601 10.7568305414 7.4667380201\nN 13.1898093763 8.3916397043 9.2213473484\nN 12.4160160468 6.9718329755 10.5746752681\nO 12.2863391049 7.4387809403 11.6819582433\nO 12.2409746407 5.8868460897 10.0903065439\nN 14.4722079843 8.0109795422 9.6562496638\nN 15.3447071836 8.4052529933 6.8728861235\nO 14.7908323218 9.4162751547 6.4824484503\nO 15.8893796418 7.4903791695 6.2927867816\nN 15.1482057585 8.8377913019 10.3449593912\nN 16.4680241559 8.5718596889 10.3190460816\nN 16.8055996663 6.6629984964 9.8842067623\nO 17.5116219412 6.5224396365 8.9261816488\nO 16.2519620317 5.9211890148 10.6530934706\nN 17.2476174791 9.2381210706 11.1508384842\nN 17.5252394938 8.4357411550 12.8751899027\nO 17.8906784962 7.2852365000 12.8038688787\nO 17.2455128769 9.1604940589 13.7945496182\nC 18.4647557285 9.5868184800 10.5429299055\nN 19.5361274219 8.6780468116 9.8747737143\nN 19.5305257590 9.6450938275 8.6290475888\nN 20.6106790509 10.5015366018 9.3284125257\nN 19.5373563363 11.4001935068 9.9811472920\nN 19.5233841779 10.4312118674 11.2300392717\nN 20.6077460029 9.5757962068 10.5360780149\nC 18.4711348676 10.4963785422 9.3099884142\nN 17.2678285871 10.8934145535 8.6983678656\nN 17.3164753119 11.4028018959 7.0249597688\nO 16.7470457588 12.4564247186 6.8529374688\nO 17.8247579173 10.5991025245 6.2841918405\nN 16.4564790078 11.5577934778 9.5048566098\nN 16.7802856448 13.4127298478 10.0316479579\nO 16.2277448524 14.2158961078 9.3289904287\nO 17.5092227275 13.4767099572 10.9821786969\nN 15.1478059840 11.2539736342 9.4651387219\nN 14.4350189407 12.0540303047 10.1463999426\nN 15.2856675572 11.6058710982 12.9129205233\nO 16.1220626940 12.3381079496 13.3937008573\nO 14.4608473863 10.8526090357 13.3815876756\nN 13.1380667478 11.6595428009 10.5168004624\nN 12.4365917764 13.1694348883 9.1441309698\nO 12.5371947331 12.8359717078 7.9894097979\nO 12.1091174922 14.1784180844 9.7094261570\nN 12.7517521011 10.4204391427 10.3715998488\nN 10.5718492439 10.4908812933 11.5074392950\nO 9.5765069389 10.7685056432 10.8530562659\nO 10.6846260190 10.1321376428 12.6556993259\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4814.7 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 16.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 4823.5 secs\n\n total energy = -1655.77489057 Ry\n estimated scf accuracy < 0.00132221 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.93E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 4827.8 secs\n\n total energy = -1655.77475060 Ry\n estimated scf accuracy < 0.05652336 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.93E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 4832.0 secs\n\n total energy = -1655.77528595 Ry\n estimated scf accuracy < 0.00092063 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.44E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 4836.4 secs\n\n total energy = -1655.77537982 Ry\n estimated scf accuracy < 0.00013478 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.03E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 4841.8 secs\n\n total energy = -1655.77557436 Ry\n estimated scf accuracy < 0.00007177 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.68E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 4846.2 secs\n\n total energy = -1655.77557668 Ry\n estimated scf accuracy < 0.00004886 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.82E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4851.0 secs\n\n total energy = -1655.77559803 Ry\n estimated scf accuracy < 0.00002238 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.35E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 4855.6 secs\n\n total energy = -1655.77560351 Ry\n estimated scf accuracy < 0.00000595 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.22E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.774E-02 0.000E+00\n\n total cpu time spent up to now is 4860.7 secs\n\n total energy = -1655.77560742 Ry\n estimated scf accuracy < 0.00000183 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.84E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.767E-02 0.000E+00\n\n total cpu time spent up to now is 4865.8 secs\n\n total energy = -1655.77560873 Ry\n estimated scf accuracy < 0.00000078 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.92E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.764E-02 0.000E+00\n\n total cpu time spent up to now is 4870.7 secs\n\n total energy = -1655.77560909 Ry\n estimated scf accuracy < 0.00000036 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.36E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.766E-02 0.000E+00\n\n total cpu time spent up to now is 4875.8 secs\n\n total energy = -1655.77560932 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.86E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.767E-02 0.000E+00\n\n total cpu time spent up to now is 4880.7 secs\n\n total energy = -1655.77560935 Ry\n estimated scf accuracy < 0.00000026 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.86E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.769E-02 0.000E+00\n\n total cpu time spent up to now is 4885.1 secs\n\n total energy = -1655.77560932 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.18E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.771E-02 0.000E+00\n\n total cpu time spent up to now is 4889.8 secs\n\n total energy = -1655.77560928 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.02E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 4894.3 secs\n\n total energy = -1655.77560924 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.91E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.778E-02 0.000E+00\n\n total cpu time spent up to now is 4898.7 secs\n\n total energy = -1655.77560919 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.01E-12, avg # of iterations = 13.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 4904.0 secs\n\n total energy = -1655.77560919 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.95E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 4908.3 secs\n\n total energy = -1655.77560914 Ry\n estimated scf accuracy < 7.4E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.78E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 4912.6 secs\n\n total energy = -1655.77560910 Ry\n estimated scf accuracy < 5.6E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.07E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 4917.1 secs\n\n total energy = -1655.77560903 Ry\n estimated scf accuracy < 4.6E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4921.8 secs\n\n total energy = -1655.77560902 Ry\n estimated scf accuracy < 5.4E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4926.3 secs\n\n total energy = -1655.77560902 Ry\n estimated scf accuracy < 2.6E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.88E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4931.0 secs\n\n total energy = -1655.77560902 Ry\n estimated scf accuracy < 1.0E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.81E-13, avg # of iterations = 13.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4936.0 secs\n\n total energy = -1655.77560902 Ry\n estimated scf accuracy < 3.1E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.17E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4940.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8758 -32.8200 -32.8146 -32.7408 -32.6063 -32.5418 -32.1996 -32.0418\n -32.0374 -31.9850 -30.7046 -29.6830 -29.2791 -29.0491 -29.0186 -28.8954\n -28.8734 -28.8304 -28.7816 -28.6420 -28.4741 -28.2739 -28.1552 -28.1170\n -27.4910 -26.8651 -25.6093 -24.8189 -24.4054 -24.0322 -22.8477 -22.0269\n -20.7389 -19.2181 -18.7087 -18.2296 -18.0732 -17.4188 -17.3611 -17.2684\n -17.0610 -16.9317 -16.6101 -16.5677 -16.5286 -16.4938 -16.4339 -16.3993\n -15.7849 -15.7372 -15.5114 -15.3277 -15.1998 -15.1007 -14.9957 -14.8665\n -14.7599 -14.7050 -14.6353 -14.6152 -14.5635 -14.4564 -14.4310 -14.3775\n -14.3249 -14.3066 -14.2729 -14.2123 -14.2010 -14.1546 -14.0373 -14.0046\n -13.9843 -13.8968 -13.8696 -13.8380 -13.8086 -13.7847 -13.7324 -13.6934\n -13.6432 -13.5789 -13.2558 -13.0712 -12.7427 -12.4350 -12.1890 -12.1066\n -11.8137 -11.5183 -11.4452 -11.3650 -10.9480 -10.8010 -10.4754 -10.0701\n -9.9187 -9.7997 -9.7715 -9.6926 -9.6266 -9.6055 -9.5901 -9.5567\n -9.5462 -9.4078 -9.3743 -9.3235 -9.2889 -9.2435 -9.1845 -9.0815\n -9.0335 -9.0049 -8.9674 -8.9156 -8.8222 -8.7504 -8.6743 -8.5873\n -8.5206 -8.2528 -8.1362 -8.1017 -7.7515 -7.6129 -7.3453 -7.2220\n -6.9960 -6.8638 -6.3881 -6.3517 -6.2773 -6.0815 -6.0677 -5.8643\n -5.6034 -4.9327 -4.8555 -4.8097 -4.4332 -4.1845 -4.1344 -4.0599\n -4.0260 -3.8911 -3.8051 -3.6813 -3.6737 -3.6352 -3.6252 -3.5280\n -3.4382 -3.1836 -3.0600 -2.8382 -2.4020 -2.2634 -0.7570 -0.4012\n -0.1642\n\n the Fermi energy is -6.0746 ev\n\n! total energy = -1655.77560900 Ry\n total all-electron energy = -6224.607957 Ry\n estimated scf accuracy < 1.8E-10 Ry\n smearing contrib. (-TS) = -0.00558446 Ry\n internal energy E=F+TS = -1655.77002454 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18373.56174834 Ry\n hartree contribution = 9219.71599712 Ry\n xc contribution = -312.75514964 Ry\n ewald contribution = 8238.80417370 Ry\n DFT-D3 Dispersion = -0.16524095 Ry\n one-center paw contrib. = -427.80805645 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00045031 -0.00074916 0.00142035\n atom 2 type 1 force = -0.00004805 0.00031302 0.00150717\n atom 3 type 2 force = -0.00015533 0.00100670 0.00061079\n atom 4 type 2 force = 0.00115627 -0.00060806 -0.00113856\n atom 5 type 1 force = -0.00117941 -0.00077150 0.00084483\n atom 6 type 1 force = -0.00149535 0.00019802 0.00002376\n atom 7 type 2 force = 0.00023508 -0.00027946 0.00086960\n atom 8 type 2 force = 0.00016071 0.00113411 -0.00122598\n atom 9 type 1 force = 0.00032729 -0.00109019 0.00043408\n atom 10 type 1 force = -0.00034555 -0.00072514 -0.00049950\n atom 11 type 2 force = 0.00107725 -0.00007192 0.00098006\n atom 12 type 2 force = -0.00052384 0.00011730 0.00061842\n atom 13 type 1 force = -0.00010701 -0.00018820 0.00079417\n atom 14 type 1 force = 0.00048596 -0.00037546 0.00016571\n atom 15 type 1 force = -0.00357952 0.00128634 0.00222519\n atom 16 type 2 force = -0.00005143 -0.00059919 0.00032012\n atom 17 type 2 force = 0.00243380 0.00173973 -0.00266654\n atom 18 type 1 force = 0.00056511 -0.00037363 -0.00043117\n atom 19 type 1 force = 0.00035843 0.00102384 -0.00103764\n atom 20 type 2 force = -0.00163040 0.00013919 0.00076889\n atom 21 type 2 force = 0.00024025 0.00049606 -0.00035115\n atom 22 type 3 force = 0.00060690 -0.00052701 -0.00076789\n atom 23 type 1 force = 0.00034110 -0.00096438 0.00092606\n atom 24 type 1 force = 0.00057755 0.00039661 -0.00143838\n atom 25 type 1 force = 0.00029539 -0.00039419 0.00070510\n atom 26 type 1 force = 0.00018193 0.00003354 0.00047310\n atom 27 type 1 force = -0.00010471 -0.00075938 -0.00012685\n atom 28 type 1 force = 0.00021900 0.00050436 -0.00068331\n atom 29 type 3 force = 0.00033519 -0.00012779 -0.00014870\n atom 30 type 1 force = -0.00098826 0.00014515 0.00088276\n atom 31 type 1 force = -0.00161206 0.00638103 -0.00022982\n atom 32 type 2 force = 0.00082628 -0.00695268 0.00065668\n atom 33 type 2 force = -0.00002634 0.00176638 0.00073635\n atom 34 type 1 force = -0.00028048 0.00034316 -0.00196335\n atom 35 type 1 force = -0.00001660 -0.00042288 -0.00214963\n atom 36 type 2 force = 0.00101232 -0.00191093 0.00116564\n atom 37 type 2 force = -0.00030249 0.00079827 -0.00105322\n atom 38 type 1 force = -0.00102490 0.00041489 -0.00069643\n atom 39 type 1 force = 0.00100375 -0.00016593 0.00133975\n atom 40 type 1 force = 0.00024062 0.00050252 0.00014007\n atom 41 type 2 force = -0.00105246 -0.00053709 0.00072842\n atom 42 type 2 force = 0.00015178 -0.00087552 -0.00038205\n atom 43 type 1 force = -0.00094267 0.00068422 -0.00120285\n atom 44 type 1 force = -0.00057384 0.00065577 -0.00071799\n atom 45 type 2 force = 0.00008097 0.00061929 -0.00067216\n atom 46 type 2 force = 0.00110561 0.00079273 0.00139361\n atom 47 type 1 force = 0.00153894 -0.00092607 0.00157207\n atom 48 type 1 force = -0.00032269 -0.00149926 -0.00129152\n atom 49 type 2 force = -0.00049627 -0.00041710 -0.00060771\n atom 50 type 2 force = 0.00085185 0.00081992 -0.00082032\n\n Total force = 0.014808 Total SCF correction = 0.000029\n Energy error = 2.4E-04 Ry\n Gradient error = 7.0E-03 Ry/Bohr\n\n number of scf cycles = 83\n number of bfgs steps = 82\n\n energy old = -1655.7753662014 Ry\n energy new = -1655.7756090044 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0181582593 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7953500577 9.6389702306 9.3271655684\nN 10.5647906755 9.7663072551 8.1489866051\nO 9.5824020090 9.1139798726 8.4696882038\nO 10.6728841346 10.7541924407 7.4595619563\nN 13.1883947517 8.3937540989 9.2258642567\nN 12.4107569166 6.9734491992 10.5722102990\nO 12.2868364213 7.4372085343 11.6817293410\nO 12.2358409126 5.8884058075 10.0882822831\nN 14.4692812439 8.0085118447 9.6626734266\nN 15.3416800377 8.4039790499 6.8756322617\nO 14.7947152856 9.4195612319 6.4878605765\nO 15.8864780298 7.4895281885 6.2960462945\nN 15.1469071443 8.8351842802 10.3510322007\nN 16.4664926839 8.5719803102 10.3186365505\nN 16.8018802304 6.6672140820 9.8838638709\nO 17.5091398960 6.5264123082 8.9268289747\nO 16.2507427129 5.9264466867 10.6560847275\nN 17.2486649717 9.2362984188 11.1505960608\nN 17.5199662348 8.4355858496 12.8733233876\nO 17.8817093206 7.2835892175 12.8058977686\nO 17.2449340773 9.1669838406 13.7893806350\nC 18.4659184545 9.5835702230 10.5419488263\nN 19.5376736252 8.6761710488 9.8705624214\nN 19.5329472615 9.6463204964 8.6287514993\nN 20.6131557380 10.5002652934 9.3300192874\nN 19.5400423127 11.3975867658 9.9846626244\nN 19.5254932448 10.4249996299 11.2310499669\nN 20.6097789296 9.5709556135 10.5352770197\nC 18.4733732266 10.4960993385 9.3108626792\nN 17.2707450091 10.8954879005 8.6991492387\nN 17.3143242338 11.4030493791 7.0241638725\nO 16.7431439193 12.4547113390 6.8532159016\nO 17.8290833329 10.6024704355 6.2818486346\nN 16.4567992783 11.5565295333 9.5051543137\nN 16.7804158690 13.4114922999 10.0294791590\nO 16.2281166150 14.2139920898 9.3262178022\nO 17.5119511614 13.4760954114 10.9776324898\nN 15.1472384813 11.2504123422 9.4625276092\nN 14.4343892965 12.0499024702 10.1445413944\nN 15.2830939256 11.6056948136 12.9122289792\nO 16.1179963023 12.3372471102 13.3956220054\nO 14.4612576704 10.8466196801 13.3763804873\nN 13.1374560992 11.6600806520 10.5172193697\nN 12.4421507049 13.1719628941 9.1443153009\nO 12.5418989548 12.8424593303 7.9882921662\nO 12.1175525780 14.1795997025 9.7138741652\nN 12.7468122663 10.4214340621 10.3754609578\nN 10.5742383033 10.4939193347 11.5058268174\nO 9.5788175846 10.7658939663 10.8497589366\nO 10.6869809166 10.1331123550 12.6534125585\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 4950.4 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 18.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 4959.4 secs\n\n total energy = -1655.77520192 Ry\n estimated scf accuracy < 0.00088489 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.30E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 4963.9 secs\n\n total energy = -1655.77532851 Ry\n estimated scf accuracy < 0.02690616 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.30E-07, avg # of iterations = 3.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 4968.1 secs\n\n total energy = -1655.77559756 Ry\n estimated scf accuracy < 0.00039348 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.47E-07, avg # of iterations = 10.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 4972.8 secs\n\n total energy = -1655.77573190 Ry\n estimated scf accuracy < 0.00013281 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.96E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 4977.7 secs\n\n total energy = -1655.77579853 Ry\n estimated scf accuracy < 0.00006427 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.40E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4982.2 secs\n\n total energy = -1655.77581044 Ry\n estimated scf accuracy < 0.00003084 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.15E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 4986.9 secs\n\n total energy = -1655.77582071 Ry\n estimated scf accuracy < 0.00001031 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.85E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 4992.2 secs\n\n total energy = -1655.77583071 Ry\n estimated scf accuracy < 0.00000289 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-09, avg # of iterations = 6.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 4997.0 secs\n\n total energy = -1655.77583158 Ry\n estimated scf accuracy < 0.00000166 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.19E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.781E-02 0.000E+00\n\n total cpu time spent up to now is 5001.8 secs\n\n total energy = -1655.77583228 Ry\n estimated scf accuracy < 0.00000053 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.99E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 5006.6 secs\n\n total energy = -1655.77583243 Ry\n estimated scf accuracy < 0.00000023 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.70E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 5011.9 secs\n\n total energy = -1655.77583266 Ry\n estimated scf accuracy < 0.00000081 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.70E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 5016.3 secs\n\n total energy = -1655.77583267 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.81E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.781E-02 0.000E+00\n\n total cpu time spent up to now is 5021.0 secs\n\n total energy = -1655.77583266 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.47E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 5025.9 secs\n\n total energy = -1655.77583266 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.40E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 5030.9 secs\n\n total energy = -1655.77583264 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.81E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 5035.3 secs\n\n total energy = -1655.77583261 Ry\n estimated scf accuracy < 9.1E-09 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.38E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 5039.8 secs\n\n total energy = -1655.77583258 Ry\n estimated scf accuracy < 7.5E-09 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.79E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 5044.2 secs\n\n total energy = -1655.77583256 Ry\n estimated scf accuracy < 4.0E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.49E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 5049.1 secs\n\n total energy = -1655.77583255 Ry\n estimated scf accuracy < 2.8E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.03E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 5053.9 secs\n\n total energy = -1655.77583253 Ry\n estimated scf accuracy < 2.3E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.76E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 5058.3 secs\n\n total energy = -1655.77583251 Ry\n estimated scf accuracy < 9.3E-10 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.48E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 5062.9 secs\n\n total energy = -1655.77583250 Ry\n estimated scf accuracy < 1.0E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.48E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 5067.4 secs\n\n total energy = -1655.77583249 Ry\n estimated scf accuracy < 5.8E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.15E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 5071.9 secs\n\n total energy = -1655.77583249 Ry\n estimated scf accuracy < 1.0E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.15E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 5075.5 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8761 -32.8139 -32.8045 -32.7387 -32.6016 -32.5392 -32.2085 -32.0547\n -32.0477 -31.9852 -30.7025 -29.6738 -29.2703 -29.0490 -29.0141 -28.8869\n -28.8762 -28.8199 -28.7805 -28.6350 -28.4854 -28.2912 -28.1641 -28.1199\n -27.4836 -26.8574 -25.6026 -24.8183 -24.4015 -24.0253 -22.8403 -22.0210\n -20.7285 -19.2190 -18.7028 -18.2240 -18.0670 -17.4259 -17.3587 -17.2741\n -17.0597 -16.9298 -16.6088 -16.5695 -16.5325 -16.4985 -16.4363 -16.3979\n -15.7805 -15.7362 -15.5102 -15.3276 -15.1984 -15.0979 -14.9987 -14.8655\n -14.7573 -14.7024 -14.6340 -14.6133 -14.5618 -14.4555 -14.4266 -14.3758\n -14.3216 -14.3056 -14.2744 -14.2058 -14.1967 -14.1541 -14.0447 -14.0102\n -13.9910 -13.9058 -13.8795 -13.8461 -13.8161 -13.7863 -13.7374 -13.6965\n -13.6479 -13.5873 -13.2473 -13.0672 -12.7374 -12.4271 -12.1805 -12.0969\n -11.8102 -11.5128 -11.4411 -11.3620 -10.9452 -10.7952 -10.4720 -10.0666\n -9.9135 -9.7974 -9.7705 -9.6908 -9.6249 -9.5987 -9.5859 -9.5557\n -9.5439 -9.4127 -9.3705 -9.3323 -9.2952 -9.2430 -9.1857 -9.0758\n -9.0332 -9.0053 -8.9649 -8.9154 -8.8256 -8.7609 -8.6742 -8.5929\n -8.5232 -8.2461 -8.1346 -8.1000 -7.7432 -7.6129 -7.3448 -7.2168\n -6.9981 -6.8619 -6.3915 -6.3476 -6.2755 -6.0786 -6.0648 -5.8635\n -5.6011 -4.9298 -4.8402 -4.8011 -4.4243 -4.1915 -4.1343 -4.0568\n -4.0265 -3.8849 -3.8063 -3.6823 -3.6742 -3.6378 -3.6238 -3.5296\n -3.4354 -3.1812 -3.0598 -2.8365 -2.4025 -2.2664 -0.7477 -0.4008\n -0.1626\n\n the Fermi energy is -6.0717 ev\n\n! total energy = -1655.77583247 Ry\n total all-electron energy = -6224.608180 Ry\n estimated scf accuracy < 1.6E-10 Ry\n smearing contrib. (-TS) = -0.00558442 Ry\n internal energy E=F+TS = -1655.77024805 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18376.71038571 Ry\n hartree contribution = 9221.29932719 Ry\n xc contribution = -312.75476044 Ry\n ewald contribution = 8240.36878073 Ry\n DFT-D3 Dispersion = -0.16525809 Ry\n one-center paw contrib. = -427.80795173 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00066996 -0.00158191 0.00229651\n atom 2 type 1 force = 0.00000011 0.00018900 0.00165069\n atom 3 type 2 force = 0.00037195 0.00124908 0.00018315\n atom 4 type 2 force = 0.00111338 -0.00075420 -0.00100984\n atom 5 type 1 force = -0.00134028 -0.00189396 0.00043355\n atom 6 type 1 force = -0.00116348 0.00033794 0.00127178\n atom 7 type 2 force = 0.00001033 -0.00004285 0.00058594\n atom 8 type 2 force = 0.00008183 0.00096657 -0.00199567\n atom 9 type 1 force = 0.00034163 0.00014431 0.00030691\n atom 10 type 1 force = -0.00063174 -0.00020051 0.00080529\n atom 11 type 2 force = 0.00105429 -0.00011220 0.00048925\n atom 12 type 2 force = -0.00023681 -0.00036967 -0.00021427\n atom 13 type 1 force = -0.00065215 0.00055188 -0.00013459\n atom 14 type 1 force = 0.00084637 -0.00044139 0.00037656\n atom 15 type 1 force = -0.00346990 0.00105398 0.00346345\n atom 16 type 2 force = -0.00027894 -0.00109057 0.00016200\n atom 17 type 2 force = 0.00286817 0.00168559 -0.00375515\n atom 18 type 1 force = 0.00019230 -0.00102463 -0.00084409\n atom 19 type 1 force = 0.00111686 0.00201057 -0.00054069\n atom 20 type 2 force = -0.00205378 0.00089448 0.00122406\n atom 21 type 2 force = 0.00044727 -0.00101053 -0.00093902\n atom 22 type 3 force = 0.00100247 -0.00047600 -0.00089210\n atom 23 type 1 force = 0.00030128 -0.00149919 0.00157521\n atom 24 type 1 force = 0.00019534 0.00040307 -0.00194395\n atom 25 type 1 force = 0.00018887 -0.00033466 0.00066471\n atom 26 type 1 force = 0.00008248 0.00014819 0.00079980\n atom 27 type 1 force = -0.00017880 -0.00040403 -0.00017119\n atom 28 type 1 force = -0.00014305 0.00073742 -0.00085011\n atom 29 type 3 force = 0.00002279 0.00001068 -0.00024385\n atom 30 type 1 force = -0.00156554 -0.00046877 0.00071627\n atom 31 type 1 force = 0.00254386 0.00286000 -0.00201778\n atom 32 type 2 force = -0.00065280 -0.00547173 0.00022622\n atom 33 type 2 force = -0.00227556 0.00402344 0.00338084\n atom 34 type 1 force = -0.00052999 -0.00003114 -0.00218918\n atom 35 type 1 force = -0.00036514 -0.00122641 -0.00260101\n atom 36 type 2 force = 0.00055670 -0.00121733 0.00084034\n atom 37 type 2 force = 0.00016961 0.00093934 -0.00015027\n atom 38 type 1 force = -0.00062202 0.00050609 0.00000409\n atom 39 type 1 force = 0.00129307 0.00054504 0.00156244\n atom 40 type 1 force = -0.00015238 0.00016971 -0.00072102\n atom 41 type 2 force = -0.00057350 -0.00010065 0.00117561\n atom 42 type 2 force = 0.00008373 -0.00091160 -0.00004786\n atom 43 type 1 force = -0.00086358 0.00082242 -0.00119706\n atom 44 type 1 force = -0.00071819 0.00093608 -0.00041062\n atom 45 type 2 force = -0.00004340 0.00061310 -0.00032430\n atom 46 type 2 force = 0.00105143 0.00066213 0.00087913\n atom 47 type 1 force = 0.00213207 -0.00069159 0.00062873\n atom 48 type 1 force = -0.00040310 -0.00243333 -0.00090676\n atom 49 type 2 force = -0.00069951 0.00017129 -0.00064890\n atom 50 type 2 force = 0.00087551 0.00115743 -0.00095325\n\n Total force = 0.015785 Total SCF correction = 0.000032\n Energy error = 2.2E-04 Ry\n Gradient error = 5.5E-03 Ry/Bohr\n\n number of scf cycles = 84\n number of bfgs steps = 83\n\n energy old = -1655.7756090044 Ry\n energy new = -1655.7758324734 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0399481704 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7936428122 9.6399242275 9.3310276584\nN 10.5679402135 9.7653866429 8.1444096971\nO 9.5858026387 9.1160534796 8.4714742225\nO 10.6761611353 10.7459129475 7.4453759930\nN 13.1856533598 8.3945157297 9.2316732783\nN 12.4034614323 6.9730621756 10.5710858454\nO 12.2842690204 7.4342000656 11.6826504757\nO 12.2323508919 5.8866745818 10.0879553275\nN 14.4653885195 8.0054523606 9.6712688312\nN 15.3393318015 8.4020814812 6.8849988527\nO 14.8046475955 9.4258242061 6.5008512408\nO 15.8799336837 7.4855932599 6.3035660302\nN 15.1458026833 8.8325559084 10.3570034940\nN 16.4653938046 8.5716634337 10.3177225277\nN 16.7979190483 6.6749556411 9.8826915661\nO 17.5058510708 6.5354103403 8.9250538364\nO 16.2532784241 5.9322806017 10.6575900365\nN 17.2506535938 9.2343568696 11.1479737153\nN 17.5127991288 8.4399007261 12.8719962756\nO 17.8645054002 7.2841838793 12.8135258996\nO 17.2439602059 9.1814943880 13.7817745702\nC 18.4683876935 9.5800012375 10.5387032496\nN 19.5404905148 8.6744535450 9.8640681726\nN 19.5366380847 9.6498264842 8.6258136978\nN 20.6168848793 10.5004602325 9.3311357682\nN 19.5436806374 11.3958836263 9.9884249048\nN 19.5281724150 10.4180049072 11.2310889458\nN 20.6127384886 9.5665576215 10.5326501350\nC 18.4765709773 10.4973426762 9.3104310258\nN 17.2743215288 10.8991791259 8.6997908855\nN 17.3096973167 11.4032597011 7.0197829224\nO 16.7261243916 12.4479360843 6.8498860776\nO 17.8310377497 10.6101548721 6.2760042817\nN 16.4567470934 11.5555639619 9.5044466655\nN 16.7782446395 13.4098109320 10.0262353384\nO 16.2268967340 14.2121529975 9.3218133121\nO 17.5112892948 13.4763479717 10.9735179495\nN 15.1465674403 11.2461432129 9.4599228354\nN 14.4340506095 12.0424044024 10.1468148072\nN 15.2785349857 11.6054850761 12.9085233217\nO 16.1116870835 12.3358810879 13.3966069720\nO 14.4647572173 10.8337246347 13.3663011141\nN 13.1360906323 11.6585325596 10.5195668347\nN 12.4525226824 13.1764776894 9.1472785096\nO 12.5531088764 12.8528647816 7.9899083107\nO 12.1361936094 14.1827624635 9.7233290145\nN 12.7411417719 10.4203985079 10.3815869386\nN 10.5778723889 10.4966871373 11.5054743874\nO 9.5820363144 10.7625491220 10.8478804571\nO 10.6914605283 10.1333486605 12.6521455233\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 5085.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 22.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 5097.0 secs\n\n total energy = -1655.77565283 Ry\n estimated scf accuracy < 0.00144355 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.39E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 5101.2 secs\n\n total energy = -1655.77562699 Ry\n estimated scf accuracy < 0.00926905 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.39E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 5105.3 secs\n\n total energy = -1655.77573094 Ry\n estimated scf accuracy < 0.00598239 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.39E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.823E-02 0.000E+00\n\n total cpu time spent up to now is 5109.5 secs\n\n total energy = -1655.77581134 Ry\n estimated scf accuracy < 0.00037897 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.41E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 5114.4 secs\n\n total energy = -1655.77608076 Ry\n estimated scf accuracy < 0.00008483 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.17E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 5119.4 secs\n\n total energy = -1655.77613325 Ry\n estimated scf accuracy < 0.00005359 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.00E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 5123.8 secs\n\n total energy = -1655.77613927 Ry\n estimated scf accuracy < 0.00002257 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.42E-09, avg # of iterations = 13.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 5128.9 secs\n\n total energy = -1655.77615236 Ry\n estimated scf accuracy < 0.00001253 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.67E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 5133.6 secs\n\n total energy = -1655.77615442 Ry\n estimated scf accuracy < 0.00000381 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.42E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 5138.7 secs\n\n total energy = -1655.77615691 Ry\n estimated scf accuracy < 0.00000135 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.02E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 5143.7 secs\n\n total energy = -1655.77615753 Ry\n estimated scf accuracy < 0.00000072 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.69E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 5148.6 secs\n\n total energy = -1655.77615788 Ry\n estimated scf accuracy < 0.00000028 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 5153.5 secs\n\n total energy = -1655.77615801 Ry\n estimated scf accuracy < 0.00000014 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.11E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 5158.1 secs\n\n total energy = -1655.77615802 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.96E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 5163.2 secs\n\n total energy = -1655.77615805 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-11, avg # of iterations = 4.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 5167.7 secs\n\n total energy = -1655.77615803 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.83E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 5172.3 secs\n\n total energy = -1655.77615803 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.12E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 5176.8 secs\n\n total energy = -1655.77615801 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.16E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 5181.2 secs\n\n total energy = -1655.77615799 Ry\n estimated scf accuracy < 8.5E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.16E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 5185.8 secs\n\n total energy = -1655.77615798 Ry\n estimated scf accuracy < 3.1E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.16E-12, avg # of iterations = 13.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 5191.4 secs\n\n total energy = -1655.77615798 Ry\n estimated scf accuracy < 1.6E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.90E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 5196.0 secs\n\n total energy = -1655.77615797 Ry\n estimated scf accuracy < 1.0E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.87E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5201.0 secs\n\n total energy = -1655.77615796 Ry\n estimated scf accuracy < 8.3E-10 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5205.4 secs\n\n total energy = -1655.77615795 Ry\n estimated scf accuracy < 6.3E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.34E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 5209.7 secs\n\n total energy = -1655.77615795 Ry\n estimated scf accuracy < 2.5E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 5213.6 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8657 -32.8130 -32.8005 -32.7368 -32.5881 -32.5518 -32.2111 -32.0590\n -32.0474 -31.9983 -30.6950 -29.6668 -29.2635 -29.0338 -28.9969 -28.8919\n -28.8772 -28.8042 -28.7961 -28.6330 -28.4913 -28.2901 -28.1766 -28.1315\n -27.4800 -26.8532 -25.5999 -24.8113 -24.3970 -24.0192 -22.8346 -22.0156\n -20.7206 -19.2226 -18.6995 -18.2203 -18.0515 -17.4325 -17.3566 -17.2849\n -17.0613 -16.9311 -16.6116 -16.5741 -16.5387 -16.5038 -16.4409 -16.3982\n -15.7759 -15.7335 -15.5074 -15.3256 -15.1934 -15.0948 -15.0012 -14.8639\n -14.7525 -14.6986 -14.6356 -14.6136 -14.5609 -14.4538 -14.4172 -14.3847\n -14.3133 -14.3003 -14.2691 -14.1990 -14.1937 -14.1625 -14.0549 -14.0155\n -13.9942 -13.9080 -13.8782 -13.8552 -13.8256 -13.7926 -13.7443 -13.7045\n -13.6580 -13.5879 -13.2375 -13.0619 -12.7342 -12.4216 -12.1721 -12.0856\n -11.8076 -11.5093 -11.4382 -11.3575 -10.9430 -10.7888 -10.4755 -10.0653\n -9.9104 -9.7956 -9.7674 -9.6884 -9.6217 -9.5912 -9.5827 -9.5616\n -9.5388 -9.4165 -9.3656 -9.3349 -9.3048 -9.2366 -9.1816 -9.0752\n -9.0369 -8.9992 -8.9658 -8.9138 -8.8254 -8.7643 -8.6758 -8.6013\n -8.5315 -8.2434 -8.1323 -8.0973 -7.7361 -7.6126 -7.3461 -7.2142\n -7.0025 -6.8588 -6.3967 -6.3470 -6.2760 -6.0791 -6.0648 -5.8639\n -5.5999 -4.9318 -4.8163 -4.7929 -4.4222 -4.1928 -4.1268 -4.0508\n -4.0232 -3.8808 -3.8103 -3.6874 -3.6780 -3.6443 -3.6247 -3.5328\n -3.4340 -3.1859 -3.0597 -2.8370 -2.4055 -2.2741 -0.7499 -0.3996\n -0.1598\n\n the Fermi energy is -6.0720 ev\n\n! total energy = -1655.77615793 Ry\n total all-electron energy = -6224.608506 Ry\n estimated scf accuracy < 1.9E-10 Ry\n smearing contrib. (-TS) = -0.00557984 Ry\n internal energy E=F+TS = -1655.77057809 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18382.12243283 Ry\n hartree contribution = 9224.01172732 Ry\n xc contribution = -312.75278642 Ry\n ewald contribution = 8243.06598688 Ry\n DFT-D3 Dispersion = -0.16530777 Ry\n one-center paw contrib. = -427.80776527 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00085017 -0.00230334 0.00274711\n atom 2 type 1 force = 0.00015077 -0.00048466 0.00237768\n atom 3 type 2 force = -0.00016711 0.00102401 0.00008918\n atom 4 type 2 force = 0.00154678 0.00025747 -0.00155142\n atom 5 type 1 force = -0.00115519 -0.00302748 0.00044172\n atom 6 type 1 force = -0.00053288 -0.00033340 0.00229661\n atom 7 type 2 force = -0.00031648 -0.00023198 -0.00025950\n atom 8 type 2 force = 0.00002440 0.00209177 -0.00201181\n atom 9 type 1 force = 0.00053766 0.00089903 -0.00008026\n atom 10 type 1 force = -0.00024961 -0.00080602 0.00051243\n atom 11 type 2 force = 0.00149510 -0.00108986 0.00029564\n atom 12 type 2 force = -0.00113339 0.00116575 0.00014919\n atom 13 type 1 force = -0.00149876 0.00161144 -0.00099007\n atom 14 type 1 force = 0.00025469 -0.00062673 0.00022369\n atom 15 type 1 force = -0.00145332 0.00015742 0.00248115\n atom 16 type 2 force = -0.00134408 -0.00108966 0.00107144\n atom 17 type 2 force = 0.00248193 0.00142153 -0.00388343\n atom 18 type 1 force = 0.00051839 -0.00149348 -0.00085634\n atom 19 type 1 force = 0.00184345 0.00217262 -0.00034241\n atom 20 type 2 force = -0.00224011 0.00161009 0.00128415\n atom 21 type 2 force = 0.00050588 -0.00163315 -0.00081300\n atom 22 type 3 force = 0.00111256 -0.00002108 -0.00095102\n atom 23 type 1 force = 0.00032734 -0.00136876 0.00156548\n atom 24 type 1 force = -0.00015322 0.00026110 -0.00166779\n atom 25 type 1 force = -0.00011218 -0.00030418 0.00046772\n atom 26 type 1 force = 0.00005157 0.00005055 0.00093238\n atom 27 type 1 force = 0.00012962 -0.00009366 -0.00029712\n atom 28 type 1 force = -0.00002104 0.00079269 -0.00090000\n atom 29 type 3 force = -0.00024259 -0.00011080 0.00025475\n atom 30 type 1 force = -0.00180091 -0.00122987 0.00006189\n atom 31 type 1 force = 0.00187158 0.00495479 -0.00081141\n atom 32 type 2 force = -0.00128072 -0.00456865 0.00054050\n atom 33 type 2 force = -0.00086956 0.00133661 0.00235605\n atom 34 type 1 force = -0.00070432 -0.00041286 -0.00225937\n atom 35 type 1 force = -0.00007659 -0.00098956 -0.00196591\n atom 36 type 2 force = 0.00033641 -0.00131191 0.00081044\n atom 37 type 2 force = -0.00014818 0.00081519 -0.00045780\n atom 38 type 1 force = -0.00076285 0.00058306 0.00114312\n atom 39 type 1 force = 0.00177941 0.00144004 0.00110441\n atom 40 type 1 force = -0.00027666 0.00002087 -0.00068240\n atom 41 type 2 force = -0.00093390 -0.00037213 0.00110931\n atom 42 type 2 force = 0.00055764 -0.00039326 -0.00007263\n atom 43 type 1 force = -0.00009440 0.00113830 -0.00077480\n atom 44 type 1 force = -0.00042123 0.00059176 0.00039554\n atom 45 type 2 force = -0.00040473 0.00043318 -0.00075515\n atom 46 type 2 force = 0.00054915 0.00117965 0.00054439\n atom 47 type 1 force = 0.00246349 -0.00050218 -0.00054269\n atom 48 type 1 force = -0.00061552 -0.00350050 -0.00067460\n atom 49 type 2 force = -0.00065098 0.00068754 -0.00048436\n atom 50 type 2 force = 0.00027253 0.00160269 -0.00117062\n\n Total force = 0.016064 Total SCF correction = 0.000035\n Energy error = 3.3E-04 Ry\n Gradient error = 5.0E-03 Ry/Bohr\n\n number of scf cycles = 85\n number of bfgs steps = 84\n\n energy old = -1655.7758324734 Ry\n energy new = -1655.7761579296 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0760183712 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7900130838 9.6350436018 9.3387397067\nN 10.5722359070 9.7587842952 8.1380985319\nO 9.5892786127 9.1117979359 8.4679115598\nO 10.6823420518 10.7307534381 7.4269655695\nN 13.1814608343 8.3894792833 9.2412483931\nN 12.3912502641 6.9677880460 10.5743487949\nO 12.2760719611 7.4265109093 11.6870761085\nO 12.2273640723 5.8806450763 10.0909989203\nN 14.4613368616 7.9997353420 9.6833197338\nN 15.3391202967 8.3961119411 6.8972739387\nO 14.8229796793 9.4315827620 6.5190249170\nO 15.8719464170 7.4777878531 6.3127481043\nN 15.1436761039 8.8299946132 10.3642352480\nN 16.4639279684 8.5718019315 10.3160693657\nN 16.7964583721 6.6864442518 9.8783747779\nO 17.5056610563 6.5506215973 8.9206976800\nO 16.2658451273 5.9378110297 10.6561277488\nN 17.2542396855 9.2329176892 11.1426776007\nN 17.5056671195 8.4499935617 12.8713672395\nO 17.8388049532 7.2879547079 12.8259368478\nO 17.2461823838 9.2043904543 13.7737497472\nC 18.4719956147 9.5780471205 10.5319698610\nN 19.5443809268 8.6749103952 9.8541225096\nN 19.5411361988 9.6582063428 8.6192054487\nN 20.6214479206 10.5044747239 9.3312131076\nN 19.5475322839 11.3968341177 9.9924161813\nN 19.5312385993 10.4116033795 11.2290181054\nN 20.6168064489 9.5647510705 10.5267536368\nC 18.4800789938 10.5018150134 9.3080626452\nN 17.2776434463 10.9055371323 8.6982157687\nN 17.2985412258 11.4061883854 7.0093390678\nO 16.6890422147 12.4355681581 6.8403901128\nO 17.8348358135 10.6231115928 6.2648550272\nN 16.4555837032 11.5565029579 9.4995159633\nN 16.7740421096 13.4092268605 10.0239746108\nO 16.2218507765 14.2115077752 9.3202974423\nO 17.5078003255 13.4792818537 10.9705065526\nN 15.1452932313 11.2425019331 9.4561761353\nN 14.4350620305 12.0333780348 10.1521284875\nN 15.2737156666 11.6067180999 12.9047949059\nO 16.1051939986 12.3338858020 13.3998362889\nO 14.4728654238 10.8164807536 13.3546280487\nN 13.1349940368 11.6550266357 10.5222420927\nN 12.4655019705 13.1837177162 9.1530940865\nO 12.5670969463 12.8671480759 7.9936597127\nO 12.1609249142 14.1891767954 9.7371584393\nN 12.7375701824 10.4162433119 10.3887293389\nN 10.5817753736 10.4947893952 11.5071820559\nO 9.5852588569 10.7585892933 10.8504397734\nO 10.6976209984 10.1325052116 12.6538857922\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 5223.7 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 31.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 5237.1 secs\n\n total energy = -1655.77613144 Ry\n estimated scf accuracy < 0.00355721 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.33E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 5241.2 secs\n\n total energy = -1655.77590011 Ry\n estimated scf accuracy < 0.04221592 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.33E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 5245.3 secs\n\n total energy = -1655.77613634 Ry\n estimated scf accuracy < 0.00313723 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.17E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 5249.5 secs\n\n total energy = -1655.77623734 Ry\n estimated scf accuracy < 0.00064396 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.40E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 5253.9 secs\n\n total energy = -1655.77635662 Ry\n estimated scf accuracy < 0.00012333 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.60E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 5259.5 secs\n\n total energy = -1655.77653806 Ry\n estimated scf accuracy < 0.00006280 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.34E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5264.0 secs\n\n total energy = -1655.77654505 Ry\n estimated scf accuracy < 0.00002496 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.31E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 5268.8 secs\n\n total energy = -1655.77655623 Ry\n estimated scf accuracy < 0.00001068 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.99E-09, avg # of iterations = 11.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 5273.7 secs\n\n total energy = -1655.77656051 Ry\n estimated scf accuracy < 0.00000298 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.11E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 5279.1 secs\n\n total energy = -1655.77656325 Ry\n estimated scf accuracy < 0.00000166 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.19E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 5283.5 secs\n\n total energy = -1655.77656335 Ry\n estimated scf accuracy < 0.00000109 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.06E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 5287.9 secs\n\n total energy = -1655.77656347 Ry\n estimated scf accuracy < 0.00000059 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.21E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 5292.7 secs\n\n total energy = -1655.77656371 Ry\n estimated scf accuracy < 0.00000086 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.21E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 5297.2 secs\n\n total energy = -1655.77656378 Ry\n estimated scf accuracy < 0.00000022 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.36E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 5302.0 secs\n\n total energy = -1655.77656385 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.72E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 5307.0 secs\n\n total energy = -1655.77656390 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.61E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 5312.0 secs\n\n total energy = -1655.77656393 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.41E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 5316.4 secs\n\n total energy = -1655.77656394 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.66E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 5321.2 secs\n\n total energy = -1655.77656395 Ry\n estimated scf accuracy < 7.9E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.96E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 5326.0 secs\n\n total energy = -1655.77656396 Ry\n estimated scf accuracy < 4.0E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 5331.0 secs\n\n total energy = -1655.77656396 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.38E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 5335.8 secs\n\n total energy = -1655.77656397 Ry\n estimated scf accuracy < 8.9E-10 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.30E-13, avg # of iterations = 14.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 5341.0 secs\n\n total energy = -1655.77656397 Ry\n estimated scf accuracy < 5.7E-10 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.11E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 5345.4 secs\n\n total energy = -1655.77656397 Ry\n estimated scf accuracy < 8.1E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.11E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 5349.0 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8608 -32.8026 -32.7973 -32.7271 -32.5943 -32.5555 -32.2124 -32.0667\n -32.0589 -31.9973 -30.6849 -29.6622 -29.2598 -29.0209 -28.9789 -28.8875\n -28.8649 -28.8102 -28.8060 -28.6332 -28.4914 -28.3033 -28.1836 -28.1321\n -27.4777 -26.8517 -25.5971 -24.7998 -24.3897 -24.0163 -22.8355 -22.0054\n -20.7149 -19.2228 -18.6968 -18.2204 -18.0231 -17.4369 -17.3548 -17.2974\n -17.0643 -16.9342 -16.6150 -16.5760 -16.5423 -16.5095 -16.4442 -16.3993\n -15.7716 -15.7283 -15.5047 -15.3206 -15.1856 -15.0913 -14.9998 -14.8609\n -14.7469 -14.6996 -14.6369 -14.6119 -14.5590 -14.4497 -14.4196 -14.3878\n -14.3050 -14.2926 -14.2559 -14.2004 -14.1917 -14.1704 -14.0579 -14.0167\n -13.9937 -13.9157 -13.8869 -13.8632 -13.8310 -13.7951 -13.7487 -13.7091\n -13.6648 -13.5963 -13.2286 -13.0588 -12.7326 -12.4174 -12.1671 -12.0780\n -11.8066 -11.5067 -11.4379 -11.3518 -10.9423 -10.7835 -10.4814 -10.0663\n -9.9088 -9.7949 -9.7609 -9.6855 -9.6190 -9.5907 -9.5805 -9.5664\n -9.5314 -9.4152 -9.3610 -9.3419 -9.3083 -9.2281 -9.1713 -9.0802\n -9.0424 -8.9875 -8.9656 -8.9124 -8.8240 -8.7719 -8.6743 -8.6060\n -8.5355 -8.2462 -8.1301 -8.0928 -7.7327 -7.6144 -7.3512 -7.2152\n -7.0049 -6.8554 -6.3989 -6.3491 -6.2774 -6.0805 -6.0652 -5.8632\n -5.5984 -4.9398 -4.7963 -4.7811 -4.4297 -4.1902 -4.1186 -4.0434\n -4.0154 -3.8764 -3.8177 -3.6897 -3.6802 -3.6482 -3.6245 -3.5381\n -3.4363 -3.1992 -3.0634 -2.8405 -2.4147 -2.2888 -0.7619 -0.3983\n -0.1573\n\n the Fermi energy is -6.0729 ev\n\n! total energy = -1655.77656397 Ry\n total all-electron energy = -6224.608912 Ry\n estimated scf accuracy < 1.4E-10 Ry\n smearing contrib. (-TS) = -0.00557204 Ry\n internal energy E=F+TS = -1655.77099193 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18385.18609332 Ry\n hartree contribution = 9225.54808720 Ry\n xc contribution = -312.74776159 Ry\n ewald contribution = 8244.58762012 Ry\n DFT-D3 Dispersion = -0.16527758 Ry\n one-center paw contrib. = -427.80756675 Ry\n\n convergence has been achieved in 25 iterations\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00108412 -0.00240902 0.00220581\n atom 2 type 1 force = -0.00009585 -0.00009754 0.00203553\n atom 3 type 2 force = 0.00028537 0.00137823 0.00015382\n atom 4 type 2 force = 0.00102324 -0.00022243 -0.00082380\n atom 5 type 1 force = -0.00056099 -0.00364887 0.00097183\n atom 6 type 1 force = 0.00142746 0.00004133 0.00219820\n atom 7 type 2 force = -0.00093360 -0.00006640 0.00024861\n atom 8 type 2 force = -0.00048750 0.00184023 -0.00231641\n atom 9 type 1 force = 0.00022324 0.00147574 -0.00035965\n atom 10 type 1 force = -0.00072225 -0.00000101 0.00147602\n atom 11 type 2 force = 0.00144338 -0.00131216 0.00000213\n atom 12 type 2 force = -0.00075069 0.00050491 -0.00067669\n atom 13 type 1 force = -0.00176344 0.00202586 -0.00213072\n atom 14 type 1 force = -0.00002952 -0.00017017 0.00061406\n atom 15 type 1 force = 0.00120681 -0.00091051 0.00147207\n atom 16 type 2 force = -0.00143760 -0.00040403 0.00016965\n atom 17 type 2 force = 0.00044043 0.00052362 -0.00219812\n atom 18 type 1 force = 0.00027265 -0.00174760 -0.00124436\n atom 19 type 1 force = 0.00226254 0.00165463 0.00090180\n atom 20 type 2 force = -0.00220189 0.00253404 0.00090038\n atom 21 type 2 force = 0.00072769 -0.00200061 -0.00151563\n atom 22 type 3 force = 0.00072605 -0.00000542 -0.00036705\n atom 23 type 1 force = 0.00018313 -0.00058803 0.00077698\n atom 24 type 1 force = -0.00054981 -0.00014006 -0.00046182\n atom 25 type 1 force = -0.00043968 -0.00000360 -0.00035408\n atom 26 type 1 force = -0.00009659 -0.00001801 0.00044123\n atom 27 type 1 force = 0.00040602 0.00019120 -0.00011770\n atom 28 type 1 force = 0.00000073 0.00038399 -0.00050635\n atom 29 type 3 force = -0.00052578 0.00003980 0.00010788\n atom 30 type 1 force = -0.00170185 -0.00170629 -0.00076020\n atom 31 type 1 force = 0.00303781 0.00360218 -0.00133613\n atom 32 type 2 force = -0.00124904 -0.00433337 0.00064050\n atom 33 type 2 force = -0.00155685 0.00228340 0.00343114\n atom 34 type 1 force = -0.00048543 -0.00090531 -0.00144559\n atom 35 type 1 force = -0.00015976 -0.00059726 -0.00131543\n atom 36 type 2 force = -0.00043176 -0.00096989 -0.00024692\n atom 37 type 2 force = 0.00028362 -0.00004940 0.00000407\n atom 38 type 1 force = -0.00034591 0.00058339 0.00230532\n atom 39 type 1 force = 0.00094913 0.00228034 0.00030977\n atom 40 type 1 force = -0.00090000 -0.00070911 -0.00027495\n atom 41 type 2 force = -0.00069192 -0.00003082 0.00099415\n atom 42 type 2 force = 0.00089766 0.00011409 -0.00044105\n atom 43 type 1 force = 0.00091545 0.00062219 0.00018012\n atom 44 type 1 force = -0.00014343 0.00059527 0.00051231\n atom 45 type 2 force = -0.00102564 0.00071884 -0.00003192\n atom 46 type 2 force = 0.00028831 0.00055535 -0.00043432\n atom 47 type 1 force = 0.00239180 0.00039160 -0.00141937\n atom 48 type 1 force = 0.00012385 -0.00376427 -0.00022772\n atom 49 type 2 force = -0.00059604 0.00082283 -0.00092196\n atom 50 type 2 force = -0.00071764 0.00164810 -0.00112543\n\n Total force = 0.015710 Total SCF correction = 0.000028\n Energy error = 4.1E-04 Ry\n Gradient error = 4.3E-03 Ry/Bohr\n\n number of scf cycles = 86\n number of bfgs steps = 85\n\n energy old = -1655.7761579296 Ry\n energy new = -1655.7765639714 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0732371546 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7875770193 9.6281530310 9.3462599654\nN 10.5752512561 9.7529026385 8.1339725164\nO 9.5912750487 9.1083916647 8.4645561615\nO 10.6876807600 10.7164604689 7.4115101219\nN 13.1785356026 8.3820800594 9.2477066871\nN 12.3870064800 6.9631669804 10.5784804496\nO 12.2692273567 7.4219985757 11.6909907421\nO 12.2319158819 5.8745869164 10.0941014182\nN 14.4606463965 7.9958506224 9.6884385914\nN 15.3414349888 8.3928416695 6.9125683040\nO 14.8393954577 9.4363703158 6.5367873134\nO 15.8629610943 7.4704570983 6.3219617995\nN 15.1422439820 8.8290123550 10.3664556476\nN 16.4638384450 8.5721321823 10.3149864374\nN 16.7972558037 6.6952086876 9.8743250268\nO 17.5050590086 6.5637635936 8.9138710783\nO 16.2770287320 5.9405286533 10.6517482347\nN 17.2573129432 9.2328666673 11.1373958844\nN 17.5026786633 8.4619393347 12.8721386561\nO 17.8185431239 7.2948736138 12.8388941430\nO 17.2477273136 9.2254150763 13.7673001278\nC 18.4748861595 9.5786801243 10.5260526463\nN 19.5472673241 8.6766850594 9.8479638428\nN 19.5435205746 9.6643307346 8.6128478039\nN 20.6240205363 10.5091417139 9.3288461209\nN 19.5493449458 11.3999435208 9.9922636765\nN 19.5329785421 10.4108882471 11.2258465491\nN 20.6196453824 9.5671031469 10.5215355382\nC 18.4815374780 10.5060480892 9.3046250854\nN 17.2776033355 10.9093442267 8.6956024612\nN 17.2874750957 11.4086221450 7.0012532408\nO 16.6531873877 12.4228776254 6.8329493222\nO 17.8334785842 10.6336556488 6.2570662775\nN 16.4534798805 11.5579791537 9.4941580038\nN 16.7695250947 13.4079537603 10.0215449234\nO 16.2172144405 14.2090453709 9.3165674878\nO 17.4996679336 13.4817806304 10.9714309721\nN 15.1431689442 11.2419222734 9.4556909033\nN 14.4360471340 12.0271229778 10.1616030998\nN 15.2699145927 11.6063573774 12.8992918466\nO 16.0994518270 12.3325637334 13.3991644009\nO 14.4813863243 10.8005793630 13.3434860730\nN 13.1337202693 11.6502553427 10.5270977813\nN 12.4760979981 13.1877433189 9.1600281505\nO 12.5789516083 12.8767260383 7.9991143144\nO 12.1837002669 14.1937125344 9.7494909878\nN 12.7379956058 10.4102262171 10.3947989595\nN 10.5842105306 10.4892884730 11.5078311973\nO 9.5870743917 10.7543491401 10.8523612078\nO 10.7015454974 10.1317520672 12.6558395522\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 5359.0 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 26.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5371.4 secs\n\n total energy = -1655.77566277 Ry\n estimated scf accuracy < 0.01030995 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.85E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 5375.5 secs\n\n total energy = -1655.77335091 Ry\n estimated scf accuracy < 0.46052598 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.85E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.831E-02 0.000E+00\n\n total cpu time spent up to now is 5379.6 secs\n\n total energy = -1655.77657718 Ry\n estimated scf accuracy < 0.00102405 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.82E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 5383.8 secs\n\n total energy = -1655.77666157 Ry\n estimated scf accuracy < 0.00086546 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.23E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 5388.0 secs\n\n total energy = -1655.77670426 Ry\n estimated scf accuracy < 0.00025341 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.46E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 5392.9 secs\n\n total energy = -1655.77684714 Ry\n estimated scf accuracy < 0.00014000 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.22E-08, avg # of iterations = 3.0\n\n negative rho (up, down): 2.827E-02 0.000E+00\n\n total cpu time spent up to now is 5397.3 secs\n\n total energy = -1655.77686336 Ry\n estimated scf accuracy < 0.00005878 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 5401.9 secs\n\n total energy = -1655.77687311 Ry\n estimated scf accuracy < 0.00004415 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.65E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 5406.4 secs\n\n total energy = -1655.77687633 Ry\n estimated scf accuracy < 0.00001113 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.15E-09, avg # of iterations = 14.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 5412.0 secs\n\n total energy = -1655.77689010 Ry\n estimated scf accuracy < 0.00000309 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.15E-09, avg # of iterations = 17.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 5417.4 secs\n\n total energy = -1655.77689236 Ry\n estimated scf accuracy < 0.00000194 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.24E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 5421.8 secs\n\n total energy = -1655.77689240 Ry\n estimated scf accuracy < 0.00000079 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.96E-10, avg # of iterations = 14.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 5427.2 secs\n\n total energy = -1655.77689313 Ry\n estimated scf accuracy < 0.00000046 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.73E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.831E-02 0.000E+00\n\n total cpu time spent up to now is 5431.9 secs\n\n total energy = -1655.77689322 Ry\n estimated scf accuracy < 0.00000054 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.73E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 5436.2 secs\n\n total energy = -1655.77689328 Ry\n estimated scf accuracy < 0.00000019 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.98E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 5441.0 secs\n\n total energy = -1655.77689341 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.07E-11, avg # of iterations = 16.0\n\n negative rho (up, down): 2.826E-02 0.000E+00\n\n total cpu time spent up to now is 5446.4 secs\n\n total energy = -1655.77689348 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.40E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 5450.9 secs\n\n total energy = -1655.77689354 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.27E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 5455.8 secs\n\n total energy = -1655.77689357 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.02E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 5460.8 secs\n\n total energy = -1655.77689360 Ry\n estimated scf accuracy < 8.0E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.99E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 5465.2 secs\n\n total energy = -1655.77689362 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.99E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 5469.5 secs\n\n total energy = -1655.77689365 Ry\n estimated scf accuracy < 3.5E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.30E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 5473.8 secs\n\n total energy = -1655.77689367 Ry\n estimated scf accuracy < 2.7E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.01E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 5478.3 secs\n\n total energy = -1655.77689369 Ry\n estimated scf accuracy < 1.5E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.63E-13, avg # of iterations = 14.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 5483.4 secs\n\n total energy = -1655.77689369 Ry\n estimated scf accuracy < 1.5E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.54E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 5487.9 secs\n\n total energy = -1655.77689371 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.32E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 5492.2 secs\n\n total energy = -1655.77689371 Ry\n estimated scf accuracy < 9.5E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.55E-13, avg # of iterations = 1.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 5496.5 secs\n\n total energy = -1655.77689372 Ry\n estimated scf accuracy < 4.3E-10 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.60E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 5500.5 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8566 -32.8079 -32.7950 -32.7328 -32.5913 -32.5610 -32.2166 -32.0657\n -32.0366 -32.0021 -30.6736 -29.6654 -29.2633 -29.0116 -28.9641 -28.8964\n -28.8629 -28.8146 -28.8133 -28.6388 -28.4940 -28.2759 -28.1829 -28.1341\n -27.4837 -26.8590 -25.5997 -24.7885 -24.3854 -24.0184 -22.8427 -22.0005\n -20.7179 -19.2249 -18.6995 -18.2273 -18.0054 -17.4383 -17.3624 -17.3076\n -17.0727 -16.9407 -16.6202 -16.5816 -16.5433 -16.5059 -16.4460 -16.4014\n -15.7717 -15.7261 -15.5060 -15.3202 -15.1802 -15.0921 -15.0015 -14.8618\n -14.7474 -14.7054 -14.6402 -14.6132 -14.5614 -14.4511 -14.4206 -14.3918\n -14.3030 -14.2883 -14.2461 -14.2050 -14.1925 -14.1767 -14.0586 -14.0209\n -13.9958 -13.9022 -13.8739 -13.8632 -13.8312 -13.7968 -13.7538 -13.7134\n -13.6686 -13.5839 -13.2265 -13.0565 -12.7353 -12.4183 -12.1676 -12.0763\n -11.8075 -11.5083 -11.4410 -11.3508 -10.9441 -10.7844 -10.4897 -10.0721\n -9.9131 -9.7991 -9.7567 -9.6866 -9.6206 -9.5948 -9.5810 -9.5709\n -9.5275 -9.4167 -9.3604 -9.3289 -9.3091 -9.2245 -9.1643 -9.0868\n -9.0474 -8.9857 -8.9593 -8.9148 -8.8252 -8.7560 -8.6738 -8.6067\n -8.5376 -8.2564 -8.1302 -8.0911 -7.7371 -7.6202 -7.3582 -7.2227\n -7.0067 -6.8553 -6.4023 -6.3556 -6.2826 -6.0865 -6.0702 -5.8653\n -5.5971 -4.9476 -4.7946 -4.7655 -4.4395 -4.1803 -4.1131 -4.0406\n -4.0097 -3.8833 -3.8227 -3.6954 -3.6832 -3.6470 -3.6277 -3.5419\n -3.4403 -3.2123 -3.0673 -2.8476 -2.4236 -2.3007 -0.7823 -0.3974\n -0.1564\n\n the Fermi energy is -6.0783 ev\n\n! total energy = -1655.77689374 Ry\n total all-electron energy = -6224.609242 Ry\n estimated scf accuracy < 9.2E-11 Ry\n smearing contrib. (-TS) = -0.00556133 Ry\n internal energy E=F+TS = -1655.77133241 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18390.93073691 Ry\n hartree contribution = 9228.41188271 Ry\n xc contribution = -312.74221474 Ry\n ewald contribution = 8247.46245707 Ry\n DFT-D3 Dispersion = -0.16535701 Ry\n one-center paw contrib. = -427.80736353 Ry\n\n convergence has been achieved in 29 iterations\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00101459 -0.00191904 0.00100652\n atom 2 type 1 force = -0.00015239 0.00047803 0.00131741\n atom 3 type 2 force = -0.00005186 0.00095611 0.00074757\n atom 4 type 2 force = 0.00048984 -0.00026526 -0.00030903\n atom 5 type 1 force = -0.00001298 -0.00289486 0.00169865\n atom 6 type 1 force = 0.00243795 -0.00089886 0.00157647\n atom 7 type 2 force = -0.00120568 -0.00079977 -0.00039502\n atom 8 type 2 force = -0.00075104 0.00345565 -0.00100371\n atom 9 type 1 force = -0.00004595 0.00116845 -0.00033689\n atom 10 type 1 force = 0.00026684 -0.00162135 -0.00080607\n atom 11 type 2 force = 0.00126757 -0.00135052 0.00051908\n atom 12 type 2 force = -0.00169549 0.00205733 0.00086103\n atom 13 type 1 force = -0.00089647 0.00195444 -0.00239563\n atom 14 type 1 force = -0.00091089 -0.00014054 0.00041312\n atom 15 type 1 force = 0.00417881 -0.00144463 -0.00175533\n atom 16 type 2 force = -0.00220564 0.00041604 0.00094483\n atom 17 type 2 force = -0.00137568 -0.00047544 0.00000518\n atom 18 type 1 force = 0.00030176 -0.00133475 -0.00084260\n atom 19 type 1 force = 0.00176471 0.00034768 0.00048901\n atom 20 type 2 force = -0.00146082 0.00183264 0.00005041\n atom 21 type 2 force = 0.00062842 -0.00011019 -0.00025733\n atom 22 type 3 force = 0.00014492 0.00034851 0.00003472\n atom 23 type 1 force = 0.00010974 0.00064777 -0.00031143\n atom 24 type 1 force = -0.00054956 -0.00026753 0.00106565\n atom 25 type 1 force = -0.00046169 0.00005971 -0.00080976\n atom 26 type 1 force = -0.00026249 -0.00039416 -0.00020456\n atom 27 type 1 force = 0.00054654 0.00018442 -0.00026360\n atom 28 type 1 force = 0.00019521 -0.00010419 -0.00035081\n atom 29 type 3 force = -0.00062983 -0.00015060 -0.00000572\n atom 30 type 1 force = -0.00089846 -0.00170648 -0.00124323\n atom 31 type 1 force = 0.00108315 0.00417051 -0.00004245\n atom 32 type 2 force = -0.00064750 -0.00402437 0.00091333\n atom 33 type 2 force = 0.00008764 0.00099812 0.00191067\n atom 34 type 1 force = -0.00066976 -0.00097764 -0.00000947\n atom 35 type 1 force = 0.00044477 0.00003115 0.00045909\n atom 36 type 2 force = -0.00054666 -0.00085300 -0.00063893\n atom 37 type 2 force = -0.00036950 -0.00073714 -0.00135812\n atom 38 type 1 force = 0.00034131 0.00032337 0.00287902\n atom 39 type 1 force = 0.00041189 0.00234440 -0.00085114\n atom 40 type 1 force = -0.00063761 -0.00064353 0.00051640\n atom 41 type 2 force = -0.00101237 -0.00018365 0.00053501\n atom 42 type 2 force = 0.00088989 0.00029503 -0.00072533\n atom 43 type 1 force = 0.00170245 0.00013086 0.00102265\n atom 44 type 1 force = 0.00013553 0.00066569 0.00036846\n atom 45 type 2 force = -0.00145527 0.00065581 0.00022834\n atom 46 type 2 force = -0.00009402 0.00025255 -0.00076374\n atom 47 type 1 force = 0.00179457 0.00077463 -0.00175479\n atom 48 type 1 force = 0.00039460 -0.00316818 -0.00003303\n atom 49 type 2 force = -0.00015448 0.00048041 -0.00101501\n atom 50 type 2 force = -0.00147861 0.00143635 -0.00107993\n\n Total force = 0.014923 Total SCF correction = 0.000026\n Energy error = 3.3E-04 Ry\n Gradient error = 4.2E-03 Ry/Bohr\n\n number of scf cycles = 87\n number of bfgs steps = 86\n\n energy old = -1655.7765639714 Ry\n energy new = -1655.7768937352 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0671061022 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7856732069 9.6191598599 9.3539418829\nN 10.5772229221 9.7478134158 8.1323157308\nO 9.5923076310 9.1045547156 8.4625737813\nO 10.6912942332 10.7047778783 7.4007446381\nN 13.1771170857 8.3727295810 9.2550016947\nN 12.3856493023 6.9581894091 10.5839904629\nO 12.2632809617 7.4171504832 11.6950651961\nO 12.2346062593 5.8710715604 10.0967689012\nN 14.4616920909 7.9932593029 9.6922007128\nN 15.3438250865 8.3881278123 6.9235584756\nO 14.8533666840 9.4379511415 6.5500968030\nO 15.8561474095 7.4643622372 6.3284686380\nN 15.1416202056 8.8299769680 10.3673458155\nN 16.4640034019 8.5733044280 10.3141381278\nN 16.8021110567 6.7028516212 9.8700840677\nO 17.5061280580 6.5755050507 8.9067625290\nO 16.2888131922 5.9431858890 10.6464984211\nN 17.2604051977 9.2331807590 11.1328872822\nN 17.5027680427 8.4734440296 12.8726444602\nO 17.8029416028 7.3025396812 12.8476522395\nO 17.2517396109 9.2429959491 13.7636943033\nC 18.4773489341 9.5806315780 10.5210153416\nN 19.5497770827 8.6798828392 9.8429527988\nN 19.5445960918 9.6699224643 8.6076743164\nN 20.6252166491 10.5148155558 9.3254365982\nN 19.5494392576 11.4038820774 9.9906569810\nN 19.5340706211 10.4127676771 11.2222538426\nN 20.6218420029 9.5714284758 10.5165435745\nC 18.4816348912 10.5097778226 9.3010902410\nN 17.2760680914 10.9108194365 8.6921023081\nN 17.2779916926 11.4120900585 6.9944941107\nO 16.6200393351 12.4117673112 6.8267203525\nO 17.8338741391 10.6429148739 6.2515956015\nN 16.4509760869 11.5585968448 9.4896067635\nN 16.7653429779 13.4062436627 10.0206091877\nO 16.2116920074 14.2062253739 9.3149888963\nO 17.4921323842 13.4827321798 10.9725202361\nN 15.1418462752 11.2422605102 9.4565142985\nN 14.4370803330 12.0240027147 10.1681543638\nN 15.2677457112 11.6063219346 12.8957629551\nO 16.0956012239 12.3318834124 13.3993662030\nO 14.4885316411 10.7890984366 13.3359948500\nN 13.1336429172 11.6456262903 10.5311988761\nN 12.4823427093 13.1901922525 9.1660515454\nO 12.5849253410 12.8831523062 8.0038577756\nO 12.1984465403 14.1966474737 9.7587025555\nN 12.7401848979 10.4047642057 10.3985146191\nN 10.5856730404 10.4806276393 11.5077557439\nO 9.5878856373 10.7492470438 10.8541902883\nO 10.7040312892 10.1312240343 12.6580423443\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 5510.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 28.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5522.6 secs\n\n total energy = -1655.77645103 Ry\n estimated scf accuracy < 0.00455172 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.70E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 5526.8 secs\n\n total energy = -1655.77552594 Ry\n estimated scf accuracy < 0.17970120 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.70E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 5530.9 secs\n\n total energy = -1655.77680442 Ry\n estimated scf accuracy < 0.00133942 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.00E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 5535.1 secs\n\n total energy = -1655.77685180 Ry\n estimated scf accuracy < 0.00050725 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.89E-07, avg # of iterations = 8.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 5539.8 secs\n\n total energy = -1655.77708984 Ry\n estimated scf accuracy < 0.00012910 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.82E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 5544.5 secs\n\n total energy = -1655.77713966 Ry\n estimated scf accuracy < 0.00006644 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.48E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 5549.1 secs\n\n total energy = -1655.77715386 Ry\n estimated scf accuracy < 0.00002906 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 6.0\n\n negative rho (up, down): 2.826E-02 0.000E+00\n\n total cpu time spent up to now is 5553.8 secs\n\n total energy = -1655.77716618 Ry\n estimated scf accuracy < 0.00000943 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.52E-09, avg # of iterations = 15.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 5559.1 secs\n\n total energy = -1655.77717195 Ry\n estimated scf accuracy < 0.00000459 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.71E-09, avg # of iterations = 6.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 5563.9 secs\n\n total energy = -1655.77717411 Ry\n estimated scf accuracy < 0.00000173 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.47E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 5568.7 secs\n\n total energy = -1655.77717475 Ry\n estimated scf accuracy < 0.00000075 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.81E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.826E-02 0.000E+00\n\n total cpu time spent up to now is 5573.9 secs\n\n total energy = -1655.77717519 Ry\n estimated scf accuracy < 0.00000025 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.17E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 5579.0 secs\n\n total energy = -1655.77717537 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.80E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 5584.2 secs\n\n total energy = -1655.77717545 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.80E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 5588.6 secs\n\n total energy = -1655.77717550 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.80E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 5592.9 secs\n\n total energy = -1655.77717553 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.85E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 5598.4 secs\n\n total energy = -1655.77717556 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.88E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 5602.8 secs\n\n total energy = -1655.77717559 Ry\n estimated scf accuracy < 8.6E-09 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.20E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 5607.2 secs\n\n total energy = -1655.77717563 Ry\n estimated scf accuracy < 7.7E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.88E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 5611.5 secs\n\n total energy = -1655.77717565 Ry\n estimated scf accuracy < 7.1E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.65E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 5615.9 secs\n\n total energy = -1655.77717568 Ry\n estimated scf accuracy < 3.9E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 5620.5 secs\n\n total energy = -1655.77717570 Ry\n estimated scf accuracy < 2.6E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.79E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 5625.4 secs\n\n total energy = -1655.77717571 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.24E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 5630.0 secs\n\n total energy = -1655.77717571 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.24E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 5634.4 secs\n\n total energy = -1655.77717573 Ry\n estimated scf accuracy < 1.0E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.87E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 5638.8 secs\n\n total energy = -1655.77717574 Ry\n estimated scf accuracy < 5.6E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.07E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 5642.6 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8601 -32.8051 -32.8000 -32.7342 -32.6205 -32.5598 -32.2151 -32.0565\n -32.0420 -31.9956 -30.6676 -29.6753 -29.2746 -29.0136 -28.9645 -28.8974\n -28.8566 -28.8461 -28.8120 -28.6465 -28.4901 -28.2705 -28.1721 -28.1253\n -27.4913 -26.8675 -25.6048 -24.7834 -24.3826 -24.0262 -22.8548 -22.0018\n -20.7266 -19.2274 -18.7016 -18.2370 -17.9928 -17.4394 -17.3705 -17.3148\n -17.0832 -16.9457 -16.6237 -16.5830 -16.5402 -16.5006 -16.4430 -16.4046\n -15.7749 -15.7259 -15.5116 -15.3215 -15.1792 -15.0946 -15.0028 -14.8646\n -14.7516 -14.7208 -14.6415 -14.6154 -14.5644 -14.4575 -14.4367 -14.3896\n -14.3052 -14.2841 -14.2421 -14.2198 -14.1945 -14.1761 -14.0541 -14.0198\n -13.9930 -13.8963 -13.8729 -13.8609 -13.8244 -13.7930 -13.7528 -13.7114\n -13.6655 -13.5838 -13.2299 -13.0573 -12.7403 -12.4214 -12.1706 -12.0810\n -11.8093 -11.5115 -11.4448 -11.3522 -10.9469 -10.7873 -10.4948 -10.0785\n -9.9182 -9.8023 -9.7538 -9.6868 -9.6219 -9.6097 -9.5828 -9.5697\n -9.5268 -9.4141 -9.3614 -9.3227 -9.3034 -9.2243 -9.1589 -9.0941\n -9.0485 -8.9876 -8.9527 -8.9165 -8.8268 -8.7470 -8.6725 -8.5999\n -8.5326 -8.2673 -8.1329 -8.0901 -7.7446 -7.6257 -7.3640 -7.2294\n -7.0059 -6.8554 -6.4015 -6.3586 -6.2845 -6.0894 -6.0721 -5.8632\n -5.5929 -4.9499 -4.7947 -4.7520 -4.4525 -4.1705 -4.1125 -4.0383\n -4.0051 -3.8883 -3.8219 -3.6967 -3.6824 -3.6402 -3.6265 -3.5415\n -3.4415 -3.2210 -3.0693 -2.8522 -2.4278 -2.3059 -0.7927 -0.3973\n -0.1569\n\n the Fermi energy is -6.0807 ev\n\n! total energy = -1655.77717575 Ry\n total all-electron energy = -6224.609524 Ry\n estimated scf accuracy < 1.6E-10 Ry\n smearing contrib. (-TS) = -0.00555245 Ry\n internal energy E=F+TS = -1655.77162330 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18395.66889991 Ry\n hartree contribution = 9230.76712559 Ry\n xc contribution = -312.74761957 Ry\n ewald contribution = 8249.85015713 Ry\n DFT-D3 Dispersion = -0.16542367 Ry\n one-center paw contrib. = -427.80696286 Ry\n\n convergence has been achieved in 27 iterations\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00067129 -0.00042353 -0.00070105\n atom 2 type 1 force = -0.00054742 0.00083689 0.00042425\n atom 3 type 2 force = 0.00007025 0.00093954 0.00111429\n atom 4 type 2 force = 0.00013047 -0.00072829 0.00055086\n atom 5 type 1 force = 0.00025812 -0.00161265 0.00222784\n atom 6 type 1 force = 0.00349471 0.00012855 0.00003067\n atom 7 type 2 force = -0.00142142 -0.00049807 0.00118751\n atom 8 type 2 force = -0.00122079 0.00186448 -0.00102138\n atom 9 type 1 force = -0.00033211 0.00009856 -0.00020861\n atom 10 type 1 force = -0.00020121 -0.00071049 -0.00080049\n atom 11 type 2 force = 0.00059149 -0.00032195 0.00086975\n atom 12 type 2 force = -0.00065394 0.00003597 0.00035545\n atom 13 type 1 force = -0.00001354 0.00123907 -0.00227359\n atom 14 type 1 force = -0.00039677 -0.00008699 0.00040196\n atom 15 type 1 force = 0.00365964 -0.00169535 -0.00198459\n atom 16 type 2 force = -0.00098098 0.00091210 -0.00045569\n atom 17 type 2 force = -0.00231521 -0.00114059 0.00154353\n atom 18 type 1 force = 0.00017785 -0.00015954 -0.00039380\n atom 19 type 1 force = 0.00051964 0.00029588 0.00100862\n atom 20 type 2 force = -0.00051630 0.00035664 -0.00050546\n atom 21 type 2 force = 0.00090716 0.00093582 -0.00037089\n atom 22 type 3 force = -0.00073126 0.00038574 0.00046709\n atom 23 type 1 force = -0.00016381 0.00143121 -0.00100886\n atom 24 type 1 force = -0.00020497 -0.00040031 0.00174788\n atom 25 type 1 force = -0.00047299 -0.00000068 -0.00106649\n atom 26 type 1 force = -0.00010162 -0.00042635 -0.00085609\n atom 27 type 1 force = 0.00053705 0.00005540 -0.00031976\n atom 28 type 1 force = 0.00013276 -0.00046827 -0.00016010\n atom 29 type 3 force = -0.00045604 -0.00003958 -0.00033224\n atom 30 type 1 force = -0.00054261 -0.00090854 -0.00100415\n atom 31 type 1 force = -0.00067164 0.00340965 0.00024581\n atom 32 type 2 force = 0.00126653 -0.00531938 0.00095871\n atom 33 type 2 force = 0.00017813 0.00231972 0.00151339\n atom 34 type 1 force = 0.00047865 -0.00089563 0.00084968\n atom 35 type 1 force = -0.00043289 0.00073126 0.00004495\n atom 36 type 2 force = -0.00028013 -0.00100115 -0.00067963\n atom 37 type 2 force = 0.00027344 -0.00111461 -0.00092853\n atom 38 type 1 force = 0.00047097 -0.00055833 0.00247188\n atom 39 type 1 force = -0.00062850 0.00221893 -0.00104661\n atom 40 type 1 force = -0.00069132 -0.00086516 0.00115258\n atom 41 type 2 force = -0.00107443 -0.00010992 0.00026186\n atom 42 type 2 force = 0.00095420 0.00051192 -0.00103400\n atom 43 type 1 force = 0.00185975 -0.00046716 0.00122275\n atom 44 type 1 force = 0.00025259 0.00059405 -0.00034589\n atom 45 type 2 force = -0.00165092 0.00047682 0.00054395\n atom 46 type 2 force = -0.00037433 0.00029469 -0.00055239\n atom 47 type 1 force = 0.00120581 0.00086844 -0.00122533\n atom 48 type 1 force = 0.00047279 -0.00166972 -0.00012278\n atom 49 type 2 force = 0.00042330 -0.00014869 -0.00112833\n atom 50 type 2 force = -0.00190946 0.00082959 -0.00066854\n\n Total force = 0.013834 Total SCF correction = 0.000026\n Energy error = 2.8E-04 Ry\n Gradient error = 5.3E-03 Ry/Bohr\n\n number of scf cycles = 88\n number of bfgs steps = 87\n\n energy old = -1655.7768937352 Ry\n energy new = -1655.7771757457 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0435493224 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7869006491 9.6131327291 9.3594235956\nN 10.5782501538 9.7475710019 8.1348695841\nO 9.5923317395 9.1071758432 8.4668679491\nO 10.6945532044 10.6971333597 7.3934200215\nN 13.1765182280 8.3646191693 9.2613020492\nN 12.3917781798 6.9575969326 10.5868560097\nO 12.2619216487 7.4162809680 11.6972938639\nO 12.2419240797 5.8720010854 10.0955733656\nN 14.4638389870 7.9913649424 9.6925463206\nN 15.3454244481 8.3861704844 6.9341135030\nO 14.8626126313 9.4396715700 6.5611374433\nO 15.8492072976 7.4603386728 6.3342051833\nN 15.1411069032 8.8311647622 10.3661583732\nN 16.4645812162 8.5739470760 10.3143354797\nN 16.8060024456 6.7069155769 9.8679939937\nO 17.5045686712 6.5837538934 8.8998603207\nO 16.2935689316 5.9446068827 10.6420780423\nN 17.2628495549 9.2338121833 11.1300002047\nN 17.5048542978 8.4828400417 12.8725895506\nO 17.7929957325 7.3091970300 12.8538444727\nO 17.2542494718 9.2566867214 13.7593993255\nC 18.4788279244 9.5824866203 10.5179799451\nN 19.5516058956 8.6824109621 9.8408744860\nN 19.5446629276 9.6716095524 8.6048616230\nN 20.6252291619 10.5183092168 9.3213303209\nN 19.5487635065 11.4068319900 9.9869705895\nN 19.5347871561 10.4160740803 11.2191405945\nN 20.6232869751 9.5756793073 10.5133316338\nC 18.4805037775 10.5112309660 9.2981693303\nN 17.2725141847 10.9091933887 8.6892994688\nN 17.2710455260 11.4148482109 6.9938395402\nO 16.5986110724 12.4033038481 6.8261859218\nO 17.8328789582 10.6491355886 6.2520701199\nN 16.4482626533 11.5581130666 9.4867599485\nN 16.7623910730 13.4034048775 10.0178016485\nO 16.2091799685 14.2011584051 9.3093907698\nO 17.4851515603 13.4811792361 10.9730105626\nN 15.1395386760 11.2426490477 9.4599963853\nN 14.4369270601 12.0240818043 10.1738936380\nN 15.2659571412 11.6044629144 12.8921872749\nO 16.0908689821 12.3316924505 13.3977559185\nO 14.4935343629 10.7796963316 13.3288970441\nN 13.1335106513 11.6419387595 10.5362979858\nN 12.4859926171 13.1901279034 9.1705996896\nO 12.5870457770 12.8861744087 8.0073053046\nO 12.2094435923 14.1974487864 9.7654015964\nN 12.7436338757 10.4000988999 10.4019349030\nN 10.5861846316 10.4713566402 11.5038416259\nO 9.5886472657 10.7424657931 10.8504625845\nO 10.7036676178 10.1325342763 12.6573426268\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 5652.8 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 22.0\n\n negative rho (up, down): 2.823E-02 0.000E+00\n\n total cpu time spent up to now is 5663.9 secs\n\n total energy = -1655.77541117 Ry\n estimated scf accuracy < 0.01454973 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.43E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.841E-02 0.000E+00\n\n total cpu time spent up to now is 5668.0 secs\n\n total energy = -1655.77280862 Ry\n estimated scf accuracy < 0.60930149 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.43E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.845E-02 0.000E+00\n\n total cpu time spent up to now is 5672.2 secs\n\n total energy = -1655.77713527 Ry\n estimated scf accuracy < 0.00084711 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.16E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.860E-02 0.000E+00\n\n total cpu time spent up to now is 5676.5 secs\n\n total energy = -1655.77718101 Ry\n estimated scf accuracy < 0.00212912 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.16E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.863E-02 0.000E+00\n\n total cpu time spent up to now is 5680.8 secs\n\n total energy = -1655.77722480 Ry\n estimated scf accuracy < 0.00015850 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.91E-08, avg # of iterations = 13.0\n\n negative rho (up, down): 2.858E-02 0.000E+00\n\n total cpu time spent up to now is 5686.2 secs\n\n total energy = -1655.77739894 Ry\n estimated scf accuracy < 0.00009946 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.71E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.856E-02 0.000E+00\n\n total cpu time spent up to now is 5690.6 secs\n\n total energy = -1655.77740780 Ry\n estimated scf accuracy < 0.00003285 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.23E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.851E-02 0.000E+00\n\n total cpu time spent up to now is 5695.5 secs\n\n total energy = -1655.77742667 Ry\n estimated scf accuracy < 0.00022928 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.23E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.841E-02 0.000E+00\n\n total cpu time spent up to now is 5699.8 secs\n\n total energy = -1655.77742824 Ry\n estimated scf accuracy < 0.00004108 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.23E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 5704.1 secs\n\n total energy = -1655.77742794 Ry\n estimated scf accuracy < 0.00006948 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.23E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.827E-02 0.000E+00\n\n total cpu time spent up to now is 5708.5 secs\n\n total energy = -1655.77742940 Ry\n estimated scf accuracy < 0.00000937 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.50E-09, avg # of iterations = 6.0\n\n negative rho (up, down): 2.823E-02 0.000E+00\n\n total cpu time spent up to now is 5712.9 secs\n\n total energy = -1655.77743027 Ry\n estimated scf accuracy < 0.00000024 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.02E-11, avg # of iterations = 40.0\n\n negative rho (up, down): 2.823E-02 0.000E+00\n\n total cpu time spent up to now is 5724.7 secs\n\n total energy = -1655.77743428 Ry\n estimated scf accuracy < 0.00000097 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.02E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 5729.0 secs\n\n total energy = -1655.77743426 Ry\n estimated scf accuracy < 0.00000101 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.02E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 5733.3 secs\n\n total energy = -1655.77743419 Ry\n estimated scf accuracy < 0.00000082 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.02E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 5737.6 secs\n\n total energy = -1655.77743423 Ry\n estimated scf accuracy < 0.00000031 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.02E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 5742.0 secs\n\n total energy = -1655.77743428 Ry\n estimated scf accuracy < 0.00000016 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.91E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5746.6 secs\n\n total energy = -1655.77743434 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.61E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 5751.8 secs\n\n total energy = -1655.77743436 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.55E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 5756.2 secs\n\n total energy = -1655.77743435 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 5760.6 secs\n\n total energy = -1655.77743435 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.68E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5764.9 secs\n\n total energy = -1655.77743435 Ry\n estimated scf accuracy < 5.9E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.21E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5770.0 secs\n\n total energy = -1655.77743435 Ry\n estimated scf accuracy < 3.1E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.17E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5774.8 secs\n\n total energy = -1655.77743434 Ry\n estimated scf accuracy < 2.1E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.66E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5779.6 secs\n\n total energy = -1655.77743435 Ry\n estimated scf accuracy < 1.1E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.29E-13, avg # of iterations = 12.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5784.3 secs\n\n total energy = -1655.77743435 Ry\n estimated scf accuracy < 4.4E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.63E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5789.5 secs\n\n total energy = -1655.77743435 Ry\n estimated scf accuracy < 3.9E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.46E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 5793.1 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8675 -32.8156 -32.8085 -32.7418 -32.6276 -32.5535 -32.2299 -32.0487\n -32.0290 -31.9914 -30.6640 -29.6830 -29.2823 -29.0234 -28.9698 -28.9131\n -28.8607 -28.8563 -28.8034 -28.6501 -28.5042 -28.2470 -28.1629 -28.1189\n -27.4985 -26.8759 -25.6059 -24.7818 -24.3811 -24.0325 -22.8642 -22.0035\n -20.7323 -19.2311 -18.7020 -18.2447 -17.9959 -17.4430 -17.3823 -17.3212\n -17.0970 -16.9498 -16.6251 -16.5880 -16.5374 -16.4913 -16.4395 -16.4048\n -15.7784 -15.7290 -15.5208 -15.3295 -15.1818 -15.1005 -15.0084 -14.8702\n -14.7630 -14.7366 -14.6428 -14.6190 -14.5699 -14.4648 -14.4425 -14.3841\n -14.3130 -14.2852 -14.2451 -14.2280 -14.1974 -14.1710 -14.0536 -14.0277\n -14.0018 -13.8820 -13.8659 -13.8547 -13.8184 -13.7892 -13.7568 -13.7107\n -13.6608 -13.5727 -13.2348 -13.0552 -12.7409 -12.4216 -12.1712 -12.0839\n -11.8092 -11.5136 -11.4478 -11.3558 -10.9485 -10.7914 -10.4946 -10.0834\n -9.9237 -9.8069 -9.7546 -9.6897 -9.6256 -9.6179 -9.5859 -9.5661\n -9.5307 -9.4202 -9.3640 -9.3086 -9.3007 -9.2320 -9.1603 -9.0979\n -9.0448 -8.9857 -8.9526 -8.9237 -8.8343 -8.7297 -8.6711 -8.5936\n -8.5267 -8.2782 -8.1367 -8.0906 -7.7550 -7.6326 -7.3681 -7.2365\n -7.0035 -6.8569 -6.4040 -6.3601 -6.2861 -6.0921 -6.0741 -5.8627\n -5.5863 -4.9461 -4.7910 -4.7429 -4.4564 -4.1620 -4.1168 -4.0383\n -4.0039 -3.8996 -3.8188 -3.6999 -3.6835 -3.6339 -3.6222 -3.5391\n -3.4393 -3.2196 -3.0690 -2.8547 -2.4291 -2.3047 -0.7960 -0.3977\n -0.1581\n\n the Fermi energy is -6.0831 ev\n\n! total energy = -1655.77743436 Ry\n total all-electron energy = -6224.609782 Ry\n estimated scf accuracy < 1.9E-10 Ry\n smearing contrib. (-TS) = -0.00554416 Ry\n internal energy E=F+TS = -1655.77189021 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18404.22552314 Ry\n hartree contribution = 9235.02796490 Ry\n xc contribution = -312.75449980 Ry\n ewald contribution = 8254.15232986 Ry\n DFT-D3 Dispersion = -0.16559661 Ry\n one-center paw contrib. = -427.80656542 Ry\n\n convergence has been achieved in 28 iterations\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00019156 0.00059215 -0.00174867\n atom 2 type 1 force = -0.00055439 0.00130664 -0.00074188\n atom 3 type 2 force = 0.00015457 0.00058705 0.00129741\n atom 4 type 2 force = -0.00066052 -0.00123538 0.00140490\n atom 5 type 1 force = 0.00023504 0.00016387 0.00205875\n atom 6 type 1 force = 0.00281427 -0.00020675 -0.00015685\n atom 7 type 2 force = -0.00116483 -0.00117143 0.00051618\n atom 8 type 2 force = -0.00120090 0.00237482 0.00003998\n atom 9 type 1 force = -0.00029042 -0.00043262 0.00023854\n atom 10 type 1 force = 0.00028219 -0.00143752 -0.00228631\n atom 11 type 2 force = 0.00000630 0.00062532 0.00140764\n atom 12 type 2 force = -0.00060206 -0.00024192 0.00113063\n atom 13 type 1 force = 0.00179240 0.00019098 -0.00164644\n atom 14 type 1 force = -0.00017475 -0.00028299 0.00006280\n atom 15 type 1 force = 0.00300433 -0.00124433 -0.00330020\n atom 16 type 2 force = -0.00096488 0.00071382 0.00051479\n atom 17 type 2 force = -0.00188934 -0.00148768 0.00180877\n atom 18 type 1 force = -0.00037446 0.00062157 0.00030317\n atom 19 type 1 force = -0.00087461 -0.00014978 0.00018970\n atom 20 type 2 force = 0.00035618 -0.00093587 -0.00081192\n atom 21 type 2 force = 0.00113000 0.00235616 0.00078420\n atom 22 type 3 force = -0.00096806 0.00072609 0.00052217\n atom 23 type 1 force = -0.00051090 0.00167630 -0.00115822\n atom 24 type 1 force = -0.00000489 -0.00022939 0.00163969\n atom 25 type 1 force = -0.00022948 -0.00016338 -0.00085241\n atom 26 type 1 force = -0.00001875 -0.00048807 -0.00111895\n atom 27 type 1 force = 0.00024403 0.00001834 -0.00067104\n atom 28 type 1 force = -0.00012357 -0.00064706 -0.00029970\n atom 29 type 3 force = -0.00009225 -0.00013868 -0.00069318\n atom 30 type 1 force = 0.00029579 -0.00004195 -0.00053462\n atom 31 type 1 force = -0.00049551 -0.00046477 0.00093577\n atom 32 type 2 force = 0.00038042 -0.00251779 0.00064843\n atom 33 type 2 force = 0.00107495 0.00259241 0.00047981\n atom 34 type 1 force = 0.00047378 -0.00055273 0.00199572\n atom 35 type 1 force = -0.00021699 0.00030094 0.00071006\n atom 36 type 2 force = 0.00013438 -0.00054705 -0.00034874\n atom 37 type 2 force = -0.00017292 -0.00082132 -0.00184063\n atom 38 type 1 force = 0.00128816 -0.00085351 0.00172316\n atom 39 type 1 force = -0.00088487 0.00102354 -0.00118916\n atom 40 type 1 force = -0.00017331 -0.00027516 0.00071743\n atom 41 type 2 force = -0.00082813 0.00016272 0.00039739\n atom 42 type 2 force = 0.00015263 -0.00028151 -0.00060988\n atom 43 type 1 force = 0.00128746 -0.00077151 0.00096254\n atom 44 type 1 force = 0.00010909 0.00086116 -0.00074977\n atom 45 type 2 force = -0.00167279 0.00019192 0.00072896\n atom 46 type 2 force = -0.00057414 0.00030941 -0.00038353\n atom 47 type 1 force = 0.00076497 0.00074873 -0.00069612\n atom 48 type 1 force = 0.00048273 -0.00013531 0.00019251\n atom 49 type 2 force = 0.00048032 -0.00061759 -0.00117426\n atom 50 type 2 force = -0.00141784 0.00022912 -0.00039861\n\n Total force = 0.012621 Total SCF correction = 0.000036\n Energy error = 2.6E-04 Ry\n Gradient error = 3.3E-03 Ry/Bohr\n\n number of scf cycles = 89\n number of bfgs steps = 88\n\n energy old = -1655.7771757457 Ry\n energy new = -1655.7774343637 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0680003608 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7877456476 9.6051200763 9.3653803164\nN 10.5784755755 9.7449115309 8.1376389011\nO 9.5927073173 9.1066904218 8.4737939054\nO 10.6951138393 10.6882693555 7.3886666457\nN 13.1780106183 8.3553831014 9.2709214131\nN 12.3995240640 6.9542015195 10.5916393836\nO 12.2613910843 7.4132551465 11.7004487532\nO 12.2455913177 5.8711334308 10.0974644834\nN 14.4667182105 7.9886951944 9.6973440621\nN 15.3483015773 8.3807849786 6.9423067825\nO 14.8733421589 9.4392721871 6.5722971397\nO 15.8434303466 7.4530764286 6.3393195674\nN 15.1428592570 8.8328220767 10.3670040272\nN 16.4664662441 8.5770722973 10.3144809664\nN 16.8166627533 6.7138945668 9.8629712212\nO 17.5073287118 6.5971417618 8.8892035666\nO 16.3055313122 5.9483273436 10.6358424363\nN 17.2655360245 9.2381640279 11.1273849127\nN 17.5077498063 8.4952978134 12.8718796592\nO 17.7831447888 7.3182397431 12.8570099207\nO 17.2628225828 9.2751266728 13.7561386250\nC 18.4801519270 9.5877307474 10.5142809460\nN 19.5534256003 8.6887790790 9.8366736985\nN 19.5446698205 9.6757959833 8.6014191200\nN 20.6249019560 10.5248290927 9.3149374036\nN 19.5477795396 11.4124219809 9.9806341843\nN 19.5357653640 10.4229694055 11.2138023424\nN 20.6245111095 9.5827034398 10.5083116369\nC 18.4792709511 10.5147600240 9.2933023655\nN 17.2689732990 10.9088666145 8.6851389246\nN 17.2608044525 11.4179603971 6.9915712648\nO 16.5645242335 12.3923034194 6.8227299700\nO 17.8361806328 10.6593670889 6.2512888310\nN 16.4448586671 11.5558863275 9.4854306559\nN 16.7560696327 13.4001193535 10.0172888959\nO 16.2045063964 14.1975608750 9.3067807339\nO 17.4768892697 13.4768202597 10.9733636529\nN 15.1377904955 11.2392238626 9.4634788154\nN 14.4347091275 12.0222285025 10.1747724955\nN 15.2656353027 11.6032711346 12.8898962409\nO 16.0877671378 12.3323578918 13.3971116018\nO 14.4991675984 10.7710544498 13.3240821045\nN 13.1337018643 11.6354670530 10.5421615702\nN 12.4874538164 13.1883979630 9.1761919259\nO 12.5851227240 12.8870982804 8.0119222212\nO 12.2157267090 14.1955711514 9.7732864592\nN 12.7444265314 10.3944664579 10.4056862177\nN 10.5868686272 10.4599726825 11.5015823463\nO 9.5895122345 10.7292755272 10.8464408542\nO 10.7030747852 10.1315395391 12.6580975648\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 5803.1 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 27.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 5815.1 secs\n\n total energy = -1655.77717562 Ry\n estimated scf accuracy < 0.00250057 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.33E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 5819.3 secs\n\n total energy = -1655.77689871 Ry\n estimated scf accuracy < 0.05115405 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.33E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 5823.4 secs\n\n total energy = -1655.77728955 Ry\n estimated scf accuracy < 0.00253462 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.33E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 5827.6 secs\n\n total energy = -1655.77733209 Ry\n estimated scf accuracy < 0.00054852 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.05E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 5832.2 secs\n\n total energy = -1655.77753958 Ry\n estimated scf accuracy < 0.00015135 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.65E-08, avg # of iterations = 11.0\n\n negative rho (up, down): 2.827E-02 0.000E+00\n\n total cpu time spent up to now is 5837.1 secs\n\n total energy = -1655.77760634 Ry\n estimated scf accuracy < 0.00007650 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.85E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 5841.7 secs\n\n total energy = -1655.77762412 Ry\n estimated scf accuracy < 0.00002536 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.46E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 5847.0 secs\n\n total energy = -1655.77764773 Ry\n estimated scf accuracy < 0.00001347 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.03E-09, avg # of iterations = 7.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 5851.5 secs\n\n total energy = -1655.77764887 Ry\n estimated scf accuracy < 0.00000808 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.02E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 5856.0 secs\n\n total energy = -1655.77764988 Ry\n estimated scf accuracy < 0.00000224 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.36E-10, avg # of iterations = 15.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 5861.9 secs\n\n total energy = -1655.77765311 Ry\n estimated scf accuracy < 0.00000146 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.45E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 5866.3 secs\n\n total energy = -1655.77765327 Ry\n estimated scf accuracy < 0.00000078 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.90E-10, avg # of iterations = 15.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 5871.3 secs\n\n total energy = -1655.77765365 Ry\n estimated scf accuracy < 0.00000194 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.90E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 5875.6 secs\n\n total energy = -1655.77765374 Ry\n estimated scf accuracy < 0.00000027 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.01E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 5880.3 secs\n\n total energy = -1655.77765381 Ry\n estimated scf accuracy < 0.00000024 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.81E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5884.8 secs\n\n total energy = -1655.77765386 Ry\n estimated scf accuracy < 0.00000016 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.03E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 5889.3 secs\n\n total energy = -1655.77765390 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.25E-11, avg # of iterations = 16.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 5895.4 secs\n\n total energy = -1655.77765396 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.02E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 5899.8 secs\n\n total energy = -1655.77765394 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.52E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5904.8 secs\n\n total energy = -1655.77765394 Ry\n estimated scf accuracy < 3.6E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.35E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 5910.1 secs\n\n total energy = -1655.77765395 Ry\n estimated scf accuracy < 3.6E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.33E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5914.4 secs\n\n total energy = -1655.77765394 Ry\n estimated scf accuracy < 2.2E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.14E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5918.8 secs\n\n total energy = -1655.77765394 Ry\n estimated scf accuracy < 9.2E-10 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.43E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5923.9 secs\n\n total energy = -1655.77765393 Ry\n estimated scf accuracy < 5.1E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.89E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5928.8 secs\n\n total energy = -1655.77765393 Ry\n estimated scf accuracy < 4.9E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.83E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5932.5 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8723 -32.8115 -32.7785 -32.7253 -32.6490 -32.5487 -32.2261 -32.0432\n -32.0315 -31.9938 -30.6682 -29.6923 -29.2912 -29.0339 -28.9808 -28.8877\n -28.8764 -28.8454 -28.7964 -28.6535 -28.5020 -28.2465 -28.1582 -28.1173\n -27.5053 -26.8807 -25.6088 -24.7885 -24.3823 -24.0404 -22.8719 -22.0115\n -20.7372 -19.2378 -18.7000 -18.2508 -17.9991 -17.4471 -17.3895 -17.3261\n -17.1103 -16.9515 -16.6260 -16.5894 -16.5372 -16.4901 -16.4372 -16.4073\n -15.7814 -15.7324 -15.5302 -15.3298 -15.1889 -15.1015 -15.0080 -14.8745\n -14.7725 -14.7412 -14.6427 -14.6120 -14.5682 -14.4778 -14.4404 -14.3794\n -14.3179 -14.2852 -14.2485 -14.2365 -14.1911 -14.1653 -14.0560 -14.0277\n -13.9989 -13.8806 -13.8649 -13.8541 -13.8149 -13.7888 -13.7554 -13.7101\n -13.6584 -13.5733 -13.2418 -13.0539 -12.7386 -12.4202 -12.1704 -12.0871\n -11.8079 -11.5159 -11.4500 -11.3591 -10.9499 -10.7941 -10.4907 -10.0870\n -9.9267 -9.8076 -9.7539 -9.6892 -9.6279 -9.6243 -9.5789 -9.5614\n -9.5354 -9.4196 -9.3652 -9.3077 -9.3012 -9.2347 -9.1626 -9.1007\n -9.0409 -8.9839 -8.9540 -8.9235 -8.8360 -8.7288 -8.6716 -8.5903\n -8.5230 -8.2847 -8.1423 -8.0938 -7.7633 -7.6359 -7.3695 -7.2384\n -7.0019 -6.8569 -6.4052 -6.3567 -6.2833 -6.0924 -6.0738 -5.8599\n -5.5813 -4.9384 -4.7864 -4.7332 -4.4669 -4.1618 -4.1225 -4.0426\n -4.0061 -3.9055 -3.8135 -3.7019 -3.6844 -3.6308 -3.6192 -3.5360\n -3.4350 -3.2148 -3.0654 -2.8526 -2.4262 -2.2993 -0.7830 -0.3986\n -0.1592\n\n the Fermi energy is -6.0831 ev\n\n! total energy = -1655.77765393 Ry\n total all-electron energy = -6224.610002 Ry\n estimated scf accuracy < 1.5E-10 Ry\n smearing contrib. (-TS) = -0.00553792 Ry\n internal energy E=F+TS = -1655.77211602 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18412.48921932 Ry\n hartree contribution = 9239.15219004 Ry\n xc contribution = -312.75871747 Ry\n ewald contribution = 8258.29554834 Ry\n DFT-D3 Dispersion = -0.16578056 Ry\n one-center paw contrib. = -427.80613705 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00027151 0.00161092 -0.00228955\n atom 2 type 1 force = -0.00053296 0.00054823 -0.00073480\n atom 3 type 2 force = -0.00001289 0.00037307 0.00109406\n atom 4 type 2 force = -0.00036757 -0.00077029 0.00140043\n atom 5 type 1 force = -0.00004346 0.00134420 0.00137388\n atom 6 type 1 force = 0.00171562 0.00043283 -0.00048190\n atom 7 type 2 force = -0.00083673 -0.00077863 0.00145636\n atom 8 type 2 force = -0.00101508 0.00103016 -0.00035977\n atom 9 type 1 force = 0.00040379 -0.00087567 0.00057090\n atom 10 type 1 force = -0.00043583 0.00001567 -0.00177159\n atom 11 type 2 force = 0.00002355 0.00033863 0.00153429\n atom 12 type 2 force = 0.00001688 -0.00148372 0.00034035\n atom 13 type 1 force = 0.00215815 -0.00100358 -0.00123650\n atom 14 type 1 force = 0.00088455 -0.00047864 -0.00015660\n atom 15 type 1 force = -0.00064008 -0.00141848 -0.00106064\n atom 16 type 2 force = 0.00019561 -0.00003231 0.00005387\n atom 17 type 2 force = -0.00002462 -0.00086977 0.00013227\n atom 18 type 1 force = -0.00050344 0.00146935 0.00071687\n atom 19 type 1 force = -0.00183833 0.00009956 0.00118340\n atom 20 type 2 force = 0.00039858 0.00002008 -0.00029288\n atom 21 type 2 force = 0.00200847 0.00073703 -0.00063673\n atom 22 type 3 force = -0.00105414 0.00092225 0.00033944\n atom 23 type 1 force = -0.00094753 0.00096670 -0.00051814\n atom 24 type 1 force = 0.00019599 -0.00019537 0.00043899\n atom 25 type 1 force = -0.00010307 -0.00048952 -0.00053253\n atom 26 type 1 force = 0.00030078 -0.00017055 -0.00108762\n atom 27 type 1 force = 0.00000584 0.00010917 -0.00070629\n atom 28 type 1 force = -0.00057113 -0.00041100 -0.00042658\n atom 29 type 3 force = 0.00040337 0.00023819 -0.00074391\n atom 30 type 1 force = 0.00010764 0.00128358 0.00024248\n atom 31 type 1 force = -0.00328355 0.00052412 -0.00071422\n atom 32 type 2 force = 0.00492456 -0.00752560 0.00126641\n atom 33 type 2 force = -0.00038587 0.00572659 0.00139001\n atom 34 type 1 force = 0.00136723 -0.00024460 0.00179203\n atom 35 type 1 force = -0.00094908 0.00009162 -0.00078052\n atom 36 type 2 force = 0.00064373 -0.00074088 0.00026838\n atom 37 type 2 force = 0.00050808 -0.00016421 -0.00082760\n atom 38 type 1 force = 0.00081092 -0.00117523 0.00068393\n atom 39 type 1 force = -0.00070351 0.00002548 -0.00034461\n atom 40 type 1 force = -0.00074036 -0.00082540 0.00087783\n atom 41 type 2 force = -0.00092963 0.00011328 0.00054341\n atom 42 type 2 force = 0.00077731 0.00037382 -0.00077461\n atom 43 type 1 force = 0.00044031 -0.00058795 0.00000246\n atom 44 type 1 force = -0.00022957 0.00086718 -0.00086428\n atom 45 type 2 force = -0.00159766 -0.00014728 0.00046884\n atom 46 type 2 force = -0.00073229 0.00084010 -0.00001283\n atom 47 type 1 force = 0.00071412 0.00026111 0.00002277\n atom 48 type 1 force = -0.00015877 0.00114798 0.00002967\n atom 49 type 2 force = 0.00079542 -0.00091754 -0.00073493\n atom 50 type 2 force = -0.00089185 -0.00020471 -0.00013373\n\n Total force = 0.015060 Total SCF correction = 0.000029\n Energy error = 2.2E-04 Ry\n Gradient error = 7.5E-03 Ry/Bohr\n\n number of scf cycles = 90\n number of bfgs steps = 89\n\n energy old = -1655.7774343637 Ry\n energy new = -1655.7776539315 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0393262348 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7941489650 9.6089179130 9.3664745924\nN 10.5776284358 9.7557221797 8.1448660936\nO 9.5922111603 9.1210842675 8.4888155534\nO 10.6940448099 10.6924634112 7.3872351502\nN 13.1777443014 8.3550526542 9.2788001324\nN 12.4060621167 6.9618553269 10.5896803325\nO 12.2640181965 7.4136200453 11.7007015959\nO 12.2415410266 5.8854531416 10.0857208372\nN 14.4674705179 7.9880232697 9.6984175901\nN 15.3415326225 8.3793206920 6.9393424427\nO 14.8710909040 9.4406751217 6.5719146169\nO 15.8428102574 7.4556253251 6.3378993977\nN 15.1445352086 8.8325650406 10.3658575476\nN 16.4667846040 8.5743331073 10.3151036295\nN 16.8133463039 6.7114388475 9.8659143786\nO 17.5007391462 6.5911404613 8.8919536512\nO 16.2932759215 5.9514311676 10.6383893130\nN 17.2662292992 9.2341806156 11.1288828350\nN 17.5076791393 8.4921943717 12.8696429635\nO 17.7818574805 7.3158613069 12.8535500028\nO 17.2628197958 9.2727662794 13.7530190043\nC 18.4802575706 9.5832198227 10.5157952363\nN 19.5536015227 8.6853926636 9.8362710094\nN 19.5444710192 9.6716706059 8.6039007978\nN 20.6240739127 10.5212659283 9.3154868376\nN 19.5469377779 11.4077738279 9.9818532107\nN 19.5361310633 10.4178230208 11.2150902437\nN 20.6244422014 9.5779555827 10.5090174635\nC 18.4784184154 10.5096868741 9.2950388460\nN 17.2672106391 10.9025885278 8.6869027817\nN 17.2683386612 11.4192781934 7.0017350837\nO 16.5814249774 12.3948583149 6.8329647394\nO 17.8396021804 10.6600877063 6.2599344541\nN 16.4454833108 11.5525483375 9.4897884057\nN 16.7598472695 13.3956589618 10.0115391715\nO 16.2073536369 14.1913898643 9.2997650890\nO 17.4836182499 13.4729785766 10.9650450630\nN 15.1385504474 11.2395144434 9.4676743264\nN 14.4345305544 12.0289431075 10.1705530626\nN 15.2639243418 11.6020889271 12.8917075080\nO 16.0826801270 12.3326036289 13.4022758062\nO 14.4953881839 10.7699566305 13.3212954323\nN 13.1350816284 11.6395989237 10.5413880463\nN 12.4850871470 13.1906730302 9.1716105715\nO 12.5773678278 12.8907037555 8.0066687101\nO 12.2141951346 14.1968843330 9.7707788175\nN 12.7495647337 10.3974222570 10.4072733395\nN 10.5867563994 10.4569713259 11.4918678511\nO 9.5900991356 10.7245206010 10.8343732908\nO 10.7006847612 10.1378959406 12.6510248771\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 5942.7 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 22.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5953.8 secs\n\n total energy = -1655.77725663 Ry\n estimated scf accuracy < 0.00267626 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.99E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 5957.9 secs\n\n total energy = -1655.77672246 Ry\n estimated scf accuracy < 0.10290438 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.99E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 5962.1 secs\n\n total energy = -1655.77749238 Ry\n estimated scf accuracy < 0.00094910 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.54E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 5966.3 secs\n\n total energy = -1655.77754627 Ry\n estimated scf accuracy < 0.00025995 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.70E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 5971.3 secs\n\n total energy = -1655.77775110 Ry\n estimated scf accuracy < 0.00017674 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.59E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5975.6 secs\n\n total energy = -1655.77776070 Ry\n estimated scf accuracy < 0.00008679 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.24E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5979.9 secs\n\n total energy = -1655.77776999 Ry\n estimated scf accuracy < 0.00002610 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.74E-09, avg # of iterations = 11.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 5985.3 secs\n\n total energy = -1655.77779644 Ry\n estimated scf accuracy < 0.00002057 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.68E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 5989.6 secs\n\n total energy = -1655.77779590 Ry\n estimated scf accuracy < 0.00001550 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.78E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 5993.8 secs\n\n total energy = -1655.77779639 Ry\n estimated scf accuracy < 0.00000348 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.30E-09, avg # of iterations = 13.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 5999.1 secs\n\n total energy = -1655.77779894 Ry\n estimated scf accuracy < 0.00000088 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.29E-10, avg # of iterations = 14.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 6004.8 secs\n\n total energy = -1655.77780003 Ry\n estimated scf accuracy < 0.00000071 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.65E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 6009.2 secs\n\n total energy = -1655.77779998 Ry\n estimated scf accuracy < 0.00000095 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.65E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 6013.5 secs\n\n total energy = -1655.77780004 Ry\n estimated scf accuracy < 0.00000083 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.65E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 6017.8 secs\n\n total energy = -1655.77780004 Ry\n estimated scf accuracy < 0.00000023 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.41E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 6022.4 secs\n\n total energy = -1655.77780006 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.94E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 6028.2 secs\n\n total energy = -1655.77780015 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.90E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 6032.6 secs\n\n total energy = -1655.77780011 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.29E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 6037.0 secs\n\n total energy = -1655.77780010 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.13E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 6041.3 secs\n\n total energy = -1655.77780009 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.03E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 6046.0 secs\n\n total energy = -1655.77780008 Ry\n estimated scf accuracy < 8.1E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.02E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 6051.0 secs\n\n total energy = -1655.77780008 Ry\n estimated scf accuracy < 5.8E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.17E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 6055.4 secs\n\n total energy = -1655.77780006 Ry\n estimated scf accuracy < 2.3E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.51E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 6060.2 secs\n\n total energy = -1655.77780005 Ry\n estimated scf accuracy < 1.5E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.58E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 6064.7 secs\n\n total energy = -1655.77780005 Ry\n estimated scf accuracy < 3.2E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.58E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 6069.0 secs\n\n total energy = -1655.77780004 Ry\n estimated scf accuracy < 7.3E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.73E-13, avg # of iterations = 13.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 6073.9 secs\n\n total energy = -1655.77780004 Ry\n estimated scf accuracy < 6.5E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.42E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6078.4 secs\n\n total energy = -1655.77780003 Ry\n estimated scf accuracy < 3.7E-10 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.39E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6082.0 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8824 -32.8395 -32.8344 -32.7444 -32.6633 -32.5420 -32.2301 -32.0530\n -32.0369 -31.9859 -30.6754 -29.6969 -29.2980 -29.0401 -29.0079 -28.9275\n -28.8850 -28.8657 -28.7890 -28.6541 -28.5089 -28.2693 -28.1528 -28.1089\n -27.5054 -26.8805 -25.6037 -24.7963 -24.3838 -24.0439 -22.8708 -22.0175\n -20.7358 -19.2389 -18.6963 -18.2455 -18.0191 -17.4563 -17.3984 -17.3342\n -17.1241 -16.9489 -16.6218 -16.5880 -16.5344 -16.4931 -16.4312 -16.4027\n -15.7822 -15.7386 -15.5411 -15.3476 -15.1954 -15.1116 -15.0227 -14.8829\n -14.7864 -14.7642 -14.6562 -14.6163 -14.5768 -14.4890 -14.4499 -14.3737\n -14.3194 -14.2952 -14.2590 -14.2376 -14.1962 -14.1590 -14.0594 -14.0300\n -14.0024 -13.8910 -13.8753 -13.8577 -13.8104 -13.7849 -13.7552 -13.7061\n -13.6495 -13.5820 -13.2434 -13.0528 -12.7380 -12.4193 -12.1633 -12.0886\n -11.8066 -11.5110 -11.4482 -11.3602 -10.9505 -10.7941 -10.4835 -10.0818\n -9.9265 -9.8079 -9.7591 -9.6914 -9.6274 -9.6249 -9.5850 -9.5576\n -9.5425 -9.4234 -9.3653 -9.3180 -9.3033 -9.2426 -9.1720 -9.0984\n -9.0317 -8.9805 -8.9610 -8.9245 -8.8392 -8.7410 -8.6717 -8.5846\n -8.5144 -8.2843 -8.1463 -8.0971 -7.7640 -7.6360 -7.3671 -7.2368\n -6.9945 -6.8565 -6.4052 -6.3504 -6.2796 -6.0881 -6.0698 -5.8572\n -5.5700 -4.9214 -4.7707 -4.7190 -4.4505 -4.1611 -4.1224 -4.0409\n -3.9943 -3.9070 -3.8083 -3.7000 -3.6831 -3.6283 -3.6145 -3.5285\n -3.4228 -3.1973 -3.0569 -2.8454 -2.4136 -2.2828 -0.7655 -0.3991\n -0.1590\n\n the Fermi energy is -6.0789 ev\n\n! total energy = -1655.77780001 Ry\n total all-electron energy = -6224.610148 Ry\n estimated scf accuracy < 2.1E-10 Ry\n smearing contrib. (-TS) = -0.00554088 Ry\n internal energy E=F+TS = -1655.77225913 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18418.93383568 Ry\n hartree contribution = 9242.35944170 Ry\n xc contribution = -312.79152277 Ry\n ewald contribution = 8261.56514036 Ry\n DFT-D3 Dispersion = -0.16582881 Ry\n one-center paw contrib. = -427.80565394 Ry\n\n convergence has been achieved in 29 iterations\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00041296 0.00169600 -0.00188033\n atom 2 type 1 force = -0.00029282 0.00016812 -0.00117894\n atom 3 type 2 force = 0.00044420 0.00036349 0.00015246\n atom 4 type 2 force = -0.00029362 -0.00123753 0.00194526\n atom 5 type 1 force = -0.00041073 0.00197994 -0.00033382\n atom 6 type 1 force = -0.00026922 0.00077644 -0.00019464\n atom 7 type 2 force = -0.00028311 -0.00027096 0.00195659\n atom 8 type 2 force = -0.00064387 -0.00036240 -0.00077490\n atom 9 type 1 force = 0.00035091 -0.00089112 0.00061804\n atom 10 type 1 force = -0.00147998 0.00216626 0.00042264\n atom 11 type 2 force = 0.00001120 0.00040041 0.00115901\n atom 12 type 2 force = 0.00116921 -0.00360636 -0.00144107\n atom 13 type 1 force = 0.00218080 -0.00112833 -0.00032075\n atom 14 type 1 force = 0.00206988 -0.00068018 -0.00060005\n atom 15 type 1 force = -0.00381731 0.00004885 0.00174465\n atom 16 type 2 force = 0.00236404 -0.00094272 -0.00221771\n atom 17 type 2 force = 0.00087566 -0.00182302 -0.00018282\n atom 18 type 1 force = -0.00058049 0.00166342 0.00097404\n atom 19 type 1 force = -0.00259016 0.00230828 0.00012087\n atom 20 type 2 force = 0.00101724 -0.00233068 0.00023203\n atom 21 type 2 force = 0.00204904 0.00073602 0.00017666\n atom 22 type 3 force = -0.00084281 0.00091709 0.00001673\n atom 23 type 1 force = -0.00106983 -0.00022288 0.00041431\n atom 24 type 1 force = -0.00007311 -0.00012797 -0.00118369\n atom 25 type 1 force = 0.00001831 -0.00075669 -0.00008285\n atom 26 type 1 force = 0.00060849 0.00024797 -0.00064763\n atom 27 type 1 force = -0.00018494 0.00061585 -0.00074325\n atom 28 type 1 force = -0.00088564 -0.00006937 -0.00064007\n atom 29 type 3 force = 0.00062212 0.00038765 -0.00052455\n atom 30 type 1 force = 0.00093370 0.00170749 0.00087683\n atom 31 type 1 force = 0.00047553 -0.00708823 0.00064570\n atom 32 type 2 force = -0.00206278 0.00277015 0.00047632\n atom 33 type 2 force = 0.00216060 0.00290699 -0.00004976\n atom 34 type 1 force = 0.00182828 0.00014080 0.00142313\n atom 35 type 1 force = -0.00111926 -0.00022885 -0.00142017\n atom 36 type 2 force = 0.00097221 -0.00051327 0.00081963\n atom 37 type 2 force = 0.00062506 0.00055082 -0.00022757\n atom 38 type 1 force = 0.00050387 -0.00122745 -0.00041061\n atom 39 type 1 force = -0.00046918 -0.00094863 0.00052938\n atom 40 type 1 force = -0.00035092 -0.00019406 -0.00009845\n atom 41 type 2 force = -0.00084807 0.00009354 0.00082439\n atom 42 type 2 force = 0.00041885 -0.00017104 -0.00010650\n atom 43 type 1 force = -0.00057443 -0.00020381 -0.00074102\n atom 44 type 1 force = -0.00056524 0.00080646 -0.00025411\n atom 45 type 2 force = -0.00126928 -0.00032827 0.00022368\n atom 46 type 2 force = -0.00066955 0.00112919 -0.00005936\n atom 47 type 1 force = 0.00022214 0.00002501 0.00023691\n atom 48 type 1 force = -0.00058608 0.00231590 -0.00004945\n atom 49 type 2 force = 0.00075289 -0.00085179 -0.00014894\n atom 50 type 2 force = -0.00002885 -0.00071654 0.00052377\n\n Total force = 0.015533 Total SCF correction = 0.000035\n Energy error = 1.5E-04 Ry\n Gradient error = 7.1E-03 Ry/Bohr\n\n number of scf cycles = 91\n number of bfgs steps = 90\n\n energy old = -1655.7776539315 Ry\n energy new = -1655.7778000103 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0504855244 bohr\n new conv_thr = 0.0000000001 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7940959224 9.6053390612 9.3667032636\nN 10.5773619096 9.7508054466 8.1468247386\nO 9.5922104456 9.1170920258 8.4922673947\nO 10.6944675343 10.6869923019 7.3895750668\nN 13.1791139099 8.3510542408 9.2833533903\nN 12.4106307225 6.9584818823 10.5928084987\nO 12.2648797639 7.4113727475 11.7036135874\nO 12.2435582388 5.8813225272 10.0898019322\nN 14.4689838924 7.9845026664 9.7038744646\nN 15.3453047548 8.3757392090 6.9419006495\nO 14.8771104479 9.4389717657 6.5771181377\nO 15.8413837489 7.4484368207 6.3391948386\nN 15.1466830834 8.8319930411 10.3671200132\nN 16.4693251992 8.5770922421 10.3154109301\nN 16.8211591985 6.7146626822 9.8616972074\nO 17.5066904797 6.6019254089 8.8837244214\nO 16.3053814973 5.9501838427 10.6341659192\nN 17.2668564715 9.2411583498 11.1281828191\nN 17.5092638035 8.5002375317 12.8693764645\nO 17.7789401698 7.3216201393 12.8539967297\nO 17.2718316554 9.2846351158 13.7518428515\nC 18.4799024712 9.5899992494 10.5134231597\nN 19.5534599158 8.6914363368 9.8339091926\nN 19.5445080644 9.6751737258 8.6009400516\nN 20.6239971769 10.5257106068 9.3104550272\nN 19.5473917535 11.4132709193 9.9754967017\nN 19.5367925946 10.4255004386 11.2103854411\nN 20.6242738824 9.5839172423 10.5054182126\nC 18.4781854672 10.5142578932 9.2906635597\nN 17.2657910784 10.9061590554 8.6841045236\nN 17.2582460007 11.4194211763 6.9997326852\nO 16.5561291667 12.3870963433 6.8292759533\nO 17.8437293397 10.6683582871 6.2577843947\nN 16.4435917932 11.5520759633 9.4893009237\nN 16.7537330901 13.3953442546 10.0128874489\nO 16.2049380642 14.1928660330 9.3007625239\nO 17.4782814156 13.4697520550 10.9665288445\nN 15.1365739574 11.2349023649 9.4686198214\nN 14.4310745450 12.0260324183 10.1688432183\nN 15.2652328884 11.6017447565 12.8919388581\nO 16.0828517774 12.3334349303 13.4020948342\nO 14.4997537911 10.7669675337 13.3216233923\nN 13.1342683414 11.6340445986 10.5448722456\nN 12.4833249574 13.1882502140 9.1753512914\nO 12.5734521186 12.8881422751 8.0102935346\nO 12.2135522011 14.1945573647 9.7752958231\nN 12.7479948339 10.3931592917 10.4093533796\nN 10.5865514038 10.4516202779 11.4931946860\nO 9.5908253110 10.7140952171 10.8326145627\nO 10.6990527929 10.1347683868 12.6530841225\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 6092.0 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 5 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 6102.2 secs\n\n total energy = -1655.77740056 Ry\n estimated scf accuracy < 0.00208560 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.78E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 6106.4 secs\n\n total energy = -1655.77701504 Ry\n estimated scf accuracy < 0.08827031 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.78E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 6110.5 secs\n\n total energy = -1655.77766333 Ry\n estimated scf accuracy < 0.00074546 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.78E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 6114.7 secs\n\n total energy = -1655.77770501 Ry\n estimated scf accuracy < 0.00041230 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.54E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 6119.4 secs\n\n total energy = -1655.77785089 Ry\n estimated scf accuracy < 0.00010354 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.86E-08, avg # of iterations = 11.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 6124.7 secs\n\n total energy = -1655.77795153 Ry\n estimated scf accuracy < 0.00007587 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.83E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 6129.1 secs\n\n total energy = -1655.77795850 Ry\n estimated scf accuracy < 0.00002666 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.95E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 6133.8 secs\n\n total energy = -1655.77796800 Ry\n estimated scf accuracy < 0.00000770 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.87E-09, avg # of iterations = 11.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 6139.1 secs\n\n total energy = -1655.77797344 Ry\n estimated scf accuracy < 0.00000520 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.94E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6143.4 secs\n\n total energy = -1655.77797386 Ry\n estimated scf accuracy < 0.00000171 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.39E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6148.5 secs\n\n total energy = -1655.77797481 Ry\n estimated scf accuracy < 0.00000113 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.21E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 6153.3 secs\n\n total energy = -1655.77797513 Ry\n estimated scf accuracy < 0.00000066 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.48E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6157.8 secs\n\n total energy = -1655.77797525 Ry\n estimated scf accuracy < 0.00000075 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.48E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 6162.2 secs\n\n total energy = -1655.77797530 Ry\n estimated scf accuracy < 0.00000050 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.86E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6166.5 secs\n\n total energy = -1655.77797533 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.57E-11, avg # of iterations = 14.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6172.3 secs\n\n total energy = -1655.77797548 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.57E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6176.6 secs\n\n total energy = -1655.77797548 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.17E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6181.3 secs\n\n total energy = -1655.77797550 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.49E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6185.8 secs\n\n total energy = -1655.77797551 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.79E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6190.9 secs\n\n total energy = -1655.77797552 Ry\n estimated scf accuracy < 8.3E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6195.6 secs\n\n total energy = -1655.77797552 Ry\n estimated scf accuracy < 6.8E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.53E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6199.9 secs\n\n total energy = -1655.77797552 Ry\n estimated scf accuracy < 2.3E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.59E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6205.1 secs\n\n total energy = -1655.77797552 Ry\n estimated scf accuracy < 1.7E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.48E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6209.4 secs\n\n total energy = -1655.77797552 Ry\n estimated scf accuracy < 3.6E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.48E-13, avg # of iterations = 1.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6213.6 secs\n\n total energy = -1655.77797553 Ry\n estimated scf accuracy < 6.2E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.31E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6218.2 secs\n\n total energy = -1655.77797553 Ry\n estimated scf accuracy < 2.0E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6223.6 secs\n\n total energy = -1655.77797553 Ry\n estimated scf accuracy < 1.7E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6227.2 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8735 -32.8038 -32.7893 -32.7251 -32.6446 -32.5380 -32.2350 -32.0474\n -32.0402 -32.0018 -30.6796 -29.6919 -29.2908 -29.0381 -28.9908 -28.8846\n -28.8646 -28.8540 -28.7864 -28.6487 -28.5127 -28.2672 -28.1668 -28.1222\n -27.5047 -26.8782 -25.6021 -24.8000 -24.3853 -24.0399 -22.8657 -22.0176\n -20.7302 -19.2411 -18.6937 -18.2441 -18.0253 -17.4571 -17.3970 -17.3328\n -17.1244 -16.9475 -16.6208 -16.5880 -16.5391 -16.4995 -16.4362 -16.4033\n -15.7802 -15.7383 -15.5385 -15.3385 -15.1979 -15.1049 -15.0162 -14.8792\n -14.7807 -14.7488 -14.6422 -14.6071 -14.5683 -14.4763 -14.4422 -14.3716\n -14.3177 -14.2932 -14.2573 -14.2300 -14.1841 -14.1583 -14.0674 -14.0319\n -14.0053 -13.8933 -13.8722 -13.8613 -13.8180 -13.7930 -13.7584 -13.7127\n -13.6556 -13.5806 -13.2440 -13.0502 -12.7293 -12.4121 -12.1605 -12.0843\n -11.8035 -11.5111 -11.4469 -11.3594 -10.9488 -10.7925 -10.4783 -10.0806\n -9.9251 -9.8075 -9.7564 -9.6898 -9.6261 -9.6174 -9.5722 -9.5569\n -9.5427 -9.4250 -9.3647 -9.3211 -9.3118 -9.2390 -9.1735 -9.0924\n -9.0336 -8.9820 -8.9601 -8.9215 -8.8365 -8.7469 -8.6728 -8.5928\n -8.5216 -8.2822 -8.1479 -8.1013 -7.7664 -7.6345 -7.3655 -7.2351\n -6.9968 -6.8567 -6.4087 -6.3489 -6.2779 -6.0889 -6.0704 -5.8592\n -5.5732 -4.9189 -4.7695 -4.7221 -4.4525 -4.1687 -4.1267 -4.0502\n -4.0032 -3.9114 -3.8091 -3.7001 -3.6864 -3.6363 -3.6154 -3.5313\n -3.4234 -3.1944 -3.0549 -2.8433 -2.4157 -2.2835 -0.7566 -0.4001\n -0.1594\n\n the Fermi energy is -6.0796 ev\n\n! total energy = -1655.77797553 Ry\n total all-electron energy = -6224.610323 Ry\n estimated scf accuracy < 8.0E-11 Ry\n smearing contrib. (-TS) = -0.00553966 Ry\n internal energy E=F+TS = -1655.77243588 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18420.75740188 Ry\n hartree contribution = 9243.28202660 Ry\n xc contribution = -312.77347140 Ry\n ewald contribution = 8262.44815127 Ry\n DFT-D3 Dispersion = -0.16590553 Ry\n one-center paw contrib. = -427.80583494 Ry\n\n convergence has been achieved in 28 iterations\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00009746 0.00095208 -0.00055368\n atom 2 type 1 force = 0.00001074 -0.00055301 -0.00049255\n atom 3 type 2 force = 0.00023655 0.00001262 0.00004494\n atom 4 type 2 force = -0.00046096 -0.00025387 0.00109621\n atom 5 type 1 force = -0.00031419 0.00175371 -0.00099183\n atom 6 type 1 force = -0.00175648 -0.00021230 0.00085678\n atom 7 type 2 force = 0.00016547 -0.00077148 0.00046058\n atom 8 type 2 force = -0.00005064 0.00133982 -0.00027283\n atom 9 type 1 force = 0.00072945 0.00002835 0.00058275\n atom 10 type 1 force = -0.00037506 -0.00003061 -0.00024632\n atom 11 type 2 force = 0.00039912 -0.00048271 0.00067113\n atom 12 type 2 force = -0.00040713 -0.00060677 -0.00038355\n atom 13 type 1 force = 0.00194417 -0.00141657 -0.00026347\n atom 14 type 1 force = 0.00147796 -0.00048540 -0.00051166\n atom 15 type 1 force = -0.00289123 -0.00101268 0.00070085\n atom 16 type 2 force = -0.00038017 -0.00160648 0.00168662\n atom 17 type 2 force = 0.00281059 -0.00006854 -0.00304920\n atom 18 type 1 force = -0.00075101 0.00084206 0.00055443\n atom 19 type 1 force = -0.00155081 0.00060515 0.00042182\n atom 20 type 2 force = -0.00002762 0.00105236 0.00068252\n atom 21 type 2 force = 0.00226786 -0.00072616 -0.00048066\n atom 22 type 3 force = 0.00008713 0.00093614 -0.00026841\n atom 23 type 1 force = -0.00113736 -0.00077841 0.00092269\n atom 24 type 1 force = -0.00047292 -0.00010131 -0.00161425\n atom 25 type 1 force = 0.00004409 -0.00074954 -0.00002962\n atom 26 type 1 force = 0.00033729 0.00034007 -0.00050001\n atom 27 type 1 force = -0.00037190 0.00072398 -0.00061892\n atom 28 type 1 force = -0.00080911 0.00019612 -0.00056530\n atom 29 type 3 force = 0.00075745 0.00042747 -0.00039255\n atom 30 type 1 force = 0.00058319 0.00180018 0.00074163\n atom 31 type 1 force = -0.00012315 -0.00424064 -0.00269806\n atom 32 type 2 force = 0.00213984 -0.00356438 0.00130182\n atom 33 type 2 force = -0.00101523 0.00640315 0.00291945\n atom 34 type 1 force = 0.00035656 0.00018237 0.00110307\n atom 35 type 1 force = 0.00036884 -0.00100123 -0.00062132\n atom 36 type 2 force = 0.00050084 -0.00021530 0.00050804\n atom 37 type 2 force = -0.00008044 0.00088331 -0.00074877\n atom 38 type 1 force = 0.00073504 -0.00007308 -0.00024759\n atom 39 type 1 force = 0.00066640 -0.00191126 0.00057281\n atom 40 type 1 force = -0.00050370 -0.00027007 -0.00033402\n atom 41 type 2 force = -0.00049239 0.00046003 0.00105059\n atom 42 type 2 force = 0.00016523 -0.00045609 -0.00001906\n atom 43 type 1 force = -0.00086290 0.00034324 -0.00131592\n atom 44 type 1 force = -0.00080583 0.00108287 0.00018885\n atom 45 type 2 force = -0.00130982 -0.00019327 0.00017118\n atom 46 type 2 force = -0.00053143 0.00082906 -0.00042477\n atom 47 type 1 force = 0.00036278 -0.00027128 -0.00000146\n atom 48 type 1 force = -0.00041563 0.00189228 0.00001813\n atom 49 type 2 force = 0.00017964 -0.00051206 0.00002014\n atom 50 type 2 force = 0.00066832 -0.00052193 0.00036875\n\n Total force = 0.014279 Total SCF correction = 0.000022\n Energy error = 1.8E-04 Ry\n Gradient error = 6.4E-03 Ry/Bohr\n\n number of scf cycles = 92\n number of bfgs steps = 91\n\n energy old = -1655.7778000103 Ry\n energy new = -1655.7779755326 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0279774506 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7951759378 9.6041969377 9.3669234562\nN 10.5766833318 9.7468371507 8.1471970061\nO 9.5921169997 9.1132954496 8.4939621777\nO 10.6933112340 10.6838894050 7.3914011178\nN 13.1795758997 8.3495854942 9.2880325531\nN 12.4089116996 6.9558939541 10.5963943267\nO 12.2623897498 7.4065338042 11.7080760661\nO 12.2388072132 5.8803259690 10.0910984283\nN 14.4694114685 7.9809951260 9.7098869369\nN 15.3458112116 8.3708335542 6.9400073663\nO 14.8817021955 9.4372210872 6.5791765690\nO 15.8424296518 7.4431614449 6.3373765147\nN 15.1497319429 8.8302452774 10.3681793425\nN 16.4718599674 8.5781784302 10.3142249282\nN 16.8248117255 6.7165186485 9.8578771989\nO 17.5113630427 6.6055420721 8.8806103871\nO 16.3136250402 5.9504512775 10.6316164696\nN 17.2668125808 9.2450740992 11.1277310274\nN 17.5079753535 8.5038840491 12.8695688809\nO 17.7758909119 7.3244321236 12.8538979337\nO 17.2801786601 9.2910488635 13.7525479463\nC 18.4795263424 9.5937885285 10.5116327006\nN 19.5522040805 8.6943282954 9.8311065898\nN 19.5445073110 9.6782260084 8.5981579408\nN 20.6241086418 10.5277446972 9.3082999832\nN 19.5481620312 11.4158283056 9.9730536728\nN 19.5370871659 10.4282378460 11.2076351298\nN 20.6235382091 9.5854946081 10.5026349178\nC 18.4791264206 10.5174699310 9.2880685030\nN 17.2671133214 10.9102010054 8.6828694403\nN 17.2536758181 11.4190102464 6.9980211716\nO 16.5423131914 12.3822397835 6.8271030416\nO 17.8485255244 10.6762192890 6.2551096110\nN 16.4440563509 11.5518071667 9.4908573843\nN 16.7508330520 13.3950141417 10.0138873946\nO 16.2025181521 14.1943452763 9.3033552371\nO 17.4787120261 13.4691753284 10.9651769569\nN 15.1373577588 11.2318578345 9.4684897262\nN 14.4300332199 12.0240569966 10.1656183653\nN 15.2659826778 11.6029928431 12.8942113062\nO 16.0830408389 12.3341513842 13.4065181726\nO 14.5017851436 10.7656798778 13.3226770288\nN 13.1346118569 11.6321916476 10.5447225106\nN 12.4814960576 13.1897618916 9.1758045999\nO 12.5679971162 12.8894737324 8.0106915430\nO 12.2115168086 14.1953503601 9.7769216570\nN 12.7485883371 10.3915578036 10.4107289962\nN 10.5864086318 10.4503306338 11.4948214573\nO 9.5907820367 10.7080496946 10.8322641758\nO 10.6985091028 10.1329488835 12.6545758851\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 6237.2 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 18.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 6246.3 secs\n\n total energy = -1655.77655729 Ry\n estimated scf accuracy < 0.01059654 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.95E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 6250.4 secs\n\n total energy = -1655.77485209 Ry\n estimated scf accuracy < 0.41717345 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.95E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 6254.5 secs\n\n total energy = -1655.77779850 Ry\n estimated scf accuracy < 0.00043632 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.63E-07, avg # of iterations = 11.0\n\n negative rho (up, down): 2.768E-02 0.000E+00\n\n total cpu time spent up to now is 6259.4 secs\n\n total energy = -1655.77808037 Ry\n estimated scf accuracy < 0.00082474 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.63E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.769E-02 0.000E+00\n\n total cpu time spent up to now is 6263.7 secs\n\n total energy = -1655.77809809 Ry\n estimated scf accuracy < 0.00033812 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.26E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.772E-02 0.000E+00\n\n total cpu time spent up to now is 6267.9 secs\n\n total energy = -1655.77810774 Ry\n estimated scf accuracy < 0.00003325 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.24E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 6273.4 secs\n\n total energy = -1655.77814772 Ry\n estimated scf accuracy < 0.00003296 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.23E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 6277.7 secs\n\n total energy = -1655.77814690 Ry\n estimated scf accuracy < 0.00011359 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.23E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 6282.0 secs\n\n total energy = -1655.77814869 Ry\n estimated scf accuracy < 0.00001954 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.29E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 6286.3 secs\n\n total energy = -1655.77814919 Ry\n estimated scf accuracy < 0.00006320 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.29E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 6290.5 secs\n\n total energy = -1655.77815053 Ry\n estimated scf accuracy < 0.00003206 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.29E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 6294.8 secs\n\n total energy = -1655.77815133 Ry\n estimated scf accuracy < 0.00000039 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-10, avg # of iterations = 37.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 6306.5 secs\n\n total energy = -1655.77815903 Ry\n estimated scf accuracy < 0.00000060 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 6310.8 secs\n\n total energy = -1655.77815905 Ry\n estimated scf accuracy < 0.00000061 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6315.0 secs\n\n total energy = -1655.77815900 Ry\n estimated scf accuracy < 0.00000066 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6319.2 secs\n\n total energy = -1655.77815897 Ry\n estimated scf accuracy < 0.00000048 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6323.5 secs\n\n total energy = -1655.77815900 Ry\n estimated scf accuracy < 0.00000036 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.33E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6327.7 secs\n\n total energy = -1655.77815896 Ry\n estimated scf accuracy < 0.00000043 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.33E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 6331.9 secs\n\n total energy = -1655.77815888 Ry\n estimated scf accuracy < 0.00000028 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.06E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6336.2 secs\n\n total energy = -1655.77815888 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.38E-11, avg # of iterations = 15.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 6341.7 secs\n\n total energy = -1655.77815894 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.38E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 6346.0 secs\n\n total energy = -1655.77815894 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6350.2 secs\n\n total energy = -1655.77815894 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.38E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6354.6 secs\n\n total energy = -1655.77815895 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.38E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6359.2 secs\n\n total energy = -1655.77815896 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.83E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6363.6 secs\n\n total energy = -1655.77815896 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.27E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6367.9 secs\n\n total energy = -1655.77815896 Ry\n estimated scf accuracy < 3.9E-09 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6372.8 secs\n\n total energy = -1655.77815896 Ry\n estimated scf accuracy < 3.9E-09 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6377.1 secs\n\n total energy = -1655.77815896 Ry\n estimated scf accuracy < 2.7E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.01E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6381.7 secs\n\n total energy = -1655.77815896 Ry\n estimated scf accuracy < 9.1E-10 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.40E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6386.4 secs\n\n total energy = -1655.77815896 Ry\n estimated scf accuracy < 5.1E-10 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.92E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6391.0 secs\n\n total energy = -1655.77815897 Ry\n estimated scf accuracy < 1.1E-09 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.92E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6394.6 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8635 -32.8045 -32.7666 -32.7170 -32.6421 -32.5410 -32.2223 -32.0521\n -32.0423 -32.0103 -30.6839 -29.6899 -29.2890 -29.0242 -28.9895 -28.8667\n -28.8584 -28.8490 -28.7909 -28.6478 -28.4994 -28.2808 -28.1747 -28.1292\n -27.5024 -26.8755 -25.6018 -24.8024 -24.3875 -24.0368 -22.8596 -22.0186\n -20.7266 -19.2392 -18.6943 -18.2389 -18.0292 -17.4573 -17.3934 -17.3313\n -17.1213 -16.9459 -16.6201 -16.5852 -16.5418 -16.5096 -16.4390 -16.4033\n -15.7791 -15.7372 -15.5345 -15.3328 -15.1977 -15.1009 -15.0123 -14.8760\n -14.7743 -14.7392 -14.6400 -14.6022 -14.5642 -14.4729 -14.4399 -14.3728\n -14.3088 -14.2916 -14.2550 -14.2274 -14.1785 -14.1612 -14.0708 -14.0255\n -13.9972 -13.9041 -13.8767 -13.8630 -13.8217 -13.7977 -13.7551 -13.7151\n -13.6589 -13.5865 -13.2429 -13.0510 -12.7272 -12.4113 -12.1580 -12.0833\n -11.8033 -11.5104 -11.4439 -11.3564 -10.9491 -10.7892 -10.4783 -10.0759\n -9.9229 -9.8058 -9.7546 -9.6872 -9.6224 -9.6142 -9.5669 -9.5576\n -9.5423 -9.4197 -9.3636 -9.3318 -9.3169 -9.2310 -9.1715 -9.0911\n -9.0361 -8.9828 -8.9588 -8.9137 -8.8287 -8.7616 -8.6753 -8.5976\n -8.5269 -8.2778 -8.1490 -8.1045 -7.7640 -7.6295 -7.3635 -7.2312\n -6.9969 -6.8555 -6.4086 -6.3485 -6.2772 -6.0893 -6.0710 -5.8618\n -5.5770 -4.9187 -4.7662 -4.7197 -4.4504 -4.1741 -4.1249 -4.0476\n -4.0045 -3.9104 -3.8118 -3.6994 -3.6873 -3.6478 -3.6166 -3.5328\n -3.4244 -3.1944 -3.0525 -2.8417 -2.4157 -2.2828 -0.7538 -0.4004\n -0.1590\n\n the Fermi energy is -6.0801 ev\n\n! total energy = -1655.77815897 Ry\n total all-electron energy = -6224.610507 Ry\n estimated scf accuracy < 1.5E-10 Ry\n smearing contrib. (-TS) = -0.00554092 Ry\n internal energy E=F+TS = -1655.77261805 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18418.21316434 Ry\n hartree contribution = 9242.01951969 Ry\n xc contribution = -312.76900974 Ry\n ewald contribution = 8261.16194658 Ry\n DFT-D3 Dispersion = -0.16583864 Ry\n one-center paw contrib. = -427.80607160 Ry\n\n convergence has been achieved in 33 iterations\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00034185 0.00026014 0.00049097\n atom 2 type 1 force = 0.00036611 -0.00075798 0.00002321\n atom 3 type 2 force = -0.00004806 -0.00020531 -0.00005373\n atom 4 type 2 force = -0.00007687 0.00021403 0.00060227\n atom 5 type 1 force = 0.00006059 0.00080846 -0.00144395\n atom 6 type 1 force = -0.00210802 -0.00000061 0.00101658\n atom 7 type 2 force = 0.00037800 -0.00059851 0.00033443\n atom 8 type 2 force = 0.00017003 0.00126928 -0.00048014\n atom 9 type 1 force = 0.00072408 0.00065234 0.00026444\n atom 10 type 1 force = -0.00001200 -0.00084747 0.00033265\n atom 11 type 2 force = 0.00086503 -0.00148510 0.00003225\n atom 12 type 2 force = -0.00128778 0.00117304 -0.00032388\n atom 13 type 1 force = 0.00046234 -0.00104747 -0.00039952\n atom 14 type 1 force = 0.00080665 -0.00027540 -0.00041219\n atom 15 type 1 force = -0.00214231 -0.00119084 0.00150270\n atom 16 type 2 force = -0.00035927 -0.00153099 0.00091200\n atom 17 type 2 force = 0.00233489 -0.00026547 -0.00290646\n atom 18 type 1 force = -0.00020358 0.00034535 -0.00007097\n atom 19 type 1 force = -0.00007846 0.00043517 0.00105079\n atom 20 type 2 force = -0.00080695 0.00234892 0.00088575\n atom 21 type 2 force = 0.00203742 -0.00172996 -0.00141208\n atom 22 type 3 force = 0.00049306 0.00054328 -0.00026325\n atom 23 type 1 force = -0.00071764 -0.00100880 0.00103369\n atom 24 type 1 force = -0.00068808 -0.00032448 -0.00136068\n atom 25 type 1 force = -0.00002754 -0.00070012 -0.00029158\n atom 26 type 1 force = 0.00021142 0.00043073 -0.00052032\n atom 27 type 1 force = -0.00027665 0.00083424 -0.00022617\n atom 28 type 1 force = -0.00048812 0.00045086 -0.00033077\n atom 29 type 3 force = 0.00039552 0.00048849 0.00003794\n atom 30 type 1 force = -0.00017050 0.00148438 0.00059997\n atom 31 type 1 force = -0.00195053 0.00049269 -0.00364549\n atom 32 type 2 force = 0.00466344 -0.00759543 0.00204591\n atom 33 type 2 force = -0.00177958 0.00628235 0.00380562\n atom 34 type 1 force = 0.00024600 0.00002297 -0.00001530\n atom 35 type 1 force = 0.00102420 -0.00044624 -0.00050667\n atom 36 type 2 force = 0.00009340 -0.00052622 0.00012724\n atom 37 type 2 force = -0.00020217 0.00063899 -0.00046841\n atom 38 type 1 force = 0.00030716 0.00024303 -0.00025045\n atom 39 type 1 force = 0.00085412 -0.00143312 0.00094755\n atom 40 type 1 force = -0.00079282 -0.00069493 0.00038940\n atom 41 type 2 force = -0.00082558 0.00020645 0.00072517\n atom 42 type 2 force = 0.00079750 0.00022928 -0.00045851\n atom 43 type 1 force = -0.00061145 0.00062990 -0.00143722\n atom 44 type 1 force = -0.00090544 0.00097708 0.00068235\n atom 45 type 2 force = -0.00121744 -0.00017874 -0.00013446\n atom 46 type 2 force = -0.00037415 0.00071406 -0.00051695\n atom 47 type 1 force = 0.00008759 -0.00013973 -0.00032314\n atom 48 type 1 force = -0.00047576 0.00129665 -0.00023617\n atom 49 type 2 force = 0.00018329 -0.00019793 0.00026727\n atom 50 type 2 force = 0.00072304 -0.00029130 0.00037831\n\n Total force = 0.015976 Total SCF correction = 0.000028\n Energy error = 1.8E-04 Ry\n Gradient error = 7.6E-03 Ry/Bohr\n\n number of scf cycles = 93\n number of bfgs steps = 92\n\n energy old = -1655.7779755326 Ry\n energy new = -1655.7781589717 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0355209477 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7959042716 9.6015648619 9.3671012062\nN 10.5765109812 9.7421875844 8.1504191330\nO 9.5920830896 9.1093817958 8.4981582087\nO 10.6936101936 10.6796986922 7.3954386908\nN 13.1790357385 8.3455956407 9.2960300703\nN 12.4055557007 6.9543605240 10.6024577894\nO 12.2588426635 7.3981349034 11.7168495233\nO 12.2297721936 5.8835089847 10.0892775386\nN 14.4702078589 7.9755516807 9.7190679508\nN 15.3449952770 8.3621585138 6.9370527815\nO 14.8891715176 9.4336757664 6.5813910624\nO 15.8434533673 7.4357215330 6.3332255274\nN 15.1541228661 8.8278569755 10.3683826658\nN 16.4757160876 8.5781906986 10.3132471656\nN 16.8284825072 6.7178281737 9.8539437692\nO 17.5178502545 6.6114359287 8.8767782826\nO 16.3254222401 5.9465518697 10.6280674099\nN 17.2674768966 9.2497925992 11.1268943430\nN 17.5073710707 8.5095049038 12.8690473449\nO 17.7701172271 7.3286052763 12.8533220389\nO 17.2945978698 9.2998107637 13.7526520459\nC 18.4795755045 9.5991132136 10.5087747511\nN 19.5504535945 8.6976094016 9.8278039618\nN 19.5443410844 9.6817897945 8.5934187992\nN 20.6245330108 10.5298043510 9.3046873523\nN 19.5497498613 11.4195390692 9.9687818901\nN 19.5378036831 10.4326208947 11.2034881381\nN 20.6226849019 9.5878588703 10.4984454216\nC 18.4804484388 10.5219212689 9.2843378768\nN 17.2682201389 10.9153834997 8.6812862506\nN 17.2477523318 11.4184671496 6.9974898113\nO 16.5255123320 12.3738418087 6.8278294631\nO 17.8573995069 10.6895529596 6.2526494573\nN 16.4447037954 11.5519802177 9.4922144277\nN 16.7481776439 13.3936014558 10.0137357150\nO 16.1987910147 14.1949246102 9.3064800810\nO 17.4810905074 13.4678927900 10.9615745231\nN 15.1381340536 11.2293073528 9.4683872448\nN 14.4290680026 12.0232432004 10.1620748823\nN 15.2665639558 11.6045905467 12.8988732267\nO 16.0817190225 12.3354029604 13.4154037280\nO 14.5046741564 10.7635803333 13.3243051251\nN 13.1349590118 11.6306140607 10.5427319984\nN 12.4760879520 13.1933635904 9.1760815471\nO 12.5565380925 12.8920268336 8.0107666125\nO 12.2066620007 14.1988626145 9.7778733417\nN 12.7520122830 10.3895934813 10.4113875100\nN 10.5862861951 10.4466484308 11.4950754195\nO 9.5910417103 10.6995591978 10.8301390254\nO 10.6974093843 10.1318666310 12.6558996035\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 6404.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 22.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 6415.6 secs\n\n total energy = -1655.77702531 Ry\n estimated scf accuracy < 0.00988849 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.69E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 6419.7 secs\n\n total energy = -1655.77509851 Ry\n estimated scf accuracy < 0.42405634 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.69E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 6423.8 secs\n\n total energy = -1655.77809965 Ry\n estimated scf accuracy < 0.00048456 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.81E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 6428.4 secs\n\n total energy = -1655.77829086 Ry\n estimated scf accuracy < 0.00066282 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.81E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 6432.7 secs\n\n total energy = -1655.77831247 Ry\n estimated scf accuracy < 0.00049953 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.81E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 6436.9 secs\n\n total energy = -1655.77832653 Ry\n estimated scf accuracy < 0.00043435 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 6441.1 secs\n\n total energy = -1655.77833718 Ry\n estimated scf accuracy < 0.00063994 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6445.4 secs\n\n total energy = -1655.77834958 Ry\n estimated scf accuracy < 0.00012139 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.53E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6449.9 secs\n\n total energy = -1655.77836447 Ry\n estimated scf accuracy < 0.00001422 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.31E-09, avg # of iterations = 19.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6455.9 secs\n\n total energy = -1655.77839781 Ry\n estimated scf accuracy < 0.00004653 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.31E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6460.2 secs\n\n total energy = -1655.77839817 Ry\n estimated scf accuracy < 0.00004985 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.31E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 6464.5 secs\n\n total energy = -1655.77839900 Ry\n estimated scf accuracy < 0.00001029 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.84E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6468.7 secs\n\n total energy = -1655.77839996 Ry\n estimated scf accuracy < 0.00001112 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.84E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6472.9 secs\n\n total energy = -1655.77840068 Ry\n estimated scf accuracy < 0.00001360 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.84E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6477.1 secs\n\n total energy = -1655.77840022 Ry\n estimated scf accuracy < 0.00001552 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.84E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6481.3 secs\n\n total energy = -1655.77840048 Ry\n estimated scf accuracy < 0.00001408 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.84E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6485.6 secs\n\n total energy = -1655.77839855 Ry\n estimated scf accuracy < 0.00001447 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.84E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 6489.8 secs\n\n total energy = -1655.77839744 Ry\n estimated scf accuracy < 0.00000768 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.86E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 6494.1 secs\n\n total energy = -1655.77839757 Ry\n estimated scf accuracy < 0.00000238 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.88E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 6498.7 secs\n\n total energy = -1655.77839787 Ry\n estimated scf accuracy < 0.00000121 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.52E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 6503.8 secs\n\n total energy = -1655.77839880 Ry\n estimated scf accuracy < 0.00000035 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.30E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 6508.6 secs\n\n total energy = -1655.77839895 Ry\n estimated scf accuracy < 0.00000015 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.75E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 6513.3 secs\n\n total energy = -1655.77839902 Ry\n estimated scf accuracy < 0.00000018 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.75E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 6517.7 secs\n\n total energy = -1655.77839905 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.52E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 6522.0 secs\n\n total energy = -1655.77839907 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.25E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 6527.5 secs\n\n total energy = -1655.77839910 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.20E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6532.2 secs\n\n total energy = -1655.77839912 Ry\n estimated scf accuracy < 7.9E-09 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.94E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 6537.5 secs\n\n total energy = -1655.77839913 Ry\n estimated scf accuracy < 9.4E-09 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.94E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 6541.8 secs\n\n total energy = -1655.77839914 Ry\n estimated scf accuracy < 3.4E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.28E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6546.2 secs\n\n total energy = -1655.77839914 Ry\n estimated scf accuracy < 3.1E-09 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.17E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6550.5 secs\n\n total energy = -1655.77839915 Ry\n estimated scf accuracy < 7.8E-10 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.92E-13, avg # of iterations = 14.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6556.2 secs\n\n total energy = -1655.77839915 Ry\n estimated scf accuracy < 4.3E-10 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.60E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6560.8 secs\n\n total energy = -1655.77839915 Ry\n estimated scf accuracy < 2.6E-10 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6565.3 secs\n\n total energy = -1655.77839915 Ry\n estimated scf accuracy < 2.5E-10 Ry\n\n iteration # 35 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 6568.8 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8547 -32.7846 -32.7695 -32.7192 -32.6430 -32.5397 -32.2157 -32.0525\n -32.0474 -32.0161 -30.6859 -29.6891 -29.2897 -29.0079 -28.9668 -28.8666\n -28.8581 -28.8512 -28.7911 -28.6492 -28.4898 -28.2942 -28.1820 -28.1312\n -27.5022 -26.8760 -25.6029 -24.8018 -24.3898 -24.0336 -22.8534 -22.0207\n -20.7252 -19.2375 -18.6978 -18.2349 -18.0416 -17.4616 -17.3938 -17.3313\n -17.1221 -16.9447 -16.6192 -16.5825 -16.5446 -16.5188 -16.4418 -16.4033\n -15.7804 -15.7369 -15.5286 -15.3304 -15.1959 -15.0986 -15.0125 -14.8737\n -14.7706 -14.7366 -14.6324 -14.5998 -14.5616 -14.4728 -14.4412 -14.3713\n -14.2989 -14.2873 -14.2491 -14.2267 -14.1779 -14.1632 -14.0739 -14.0209\n -13.9926 -13.9148 -13.8834 -13.8623 -13.8227 -13.8029 -13.7536 -13.7172\n -13.6599 -13.5922 -13.2399 -13.0515 -12.7261 -12.4104 -12.1550 -12.0836\n -11.8034 -11.5104 -11.4405 -11.3525 -10.9501 -10.7862 -10.4801 -10.0710\n -9.9227 -9.8077 -9.7523 -9.6871 -9.6189 -9.6130 -9.5667 -9.5574\n -9.5400 -9.4163 -9.3643 -9.3408 -9.3218 -9.2243 -9.1671 -9.0912\n -9.0372 -8.9822 -8.9532 -8.9075 -8.8224 -8.7748 -8.6790 -8.6011\n -8.5302 -8.2764 -8.1523 -8.1078 -7.7648 -7.6239 -7.3624 -7.2292\n -6.9984 -6.8557 -6.4087 -6.3515 -6.2799 -6.0918 -6.0735 -5.8655\n -5.5799 -4.9187 -4.7604 -4.7181 -4.4408 -4.1792 -4.1232 -4.0471\n -4.0058 -3.9115 -3.8160 -3.6987 -3.6888 -3.6586 -3.6191 -3.5347\n -3.4241 -3.1938 -3.0501 -2.8416 -2.4177 -2.2809 -0.7599 -0.4012\n -0.1593\n\n the Fermi energy is -6.0826 ev\n\n! total energy = -1655.77839916 Ry\n total all-electron energy = -6224.610747 Ry\n estimated scf accuracy < 1.3E-10 Ry\n smearing contrib. (-TS) = -0.00554251 Ry\n internal energy E=F+TS = -1655.77285666 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18414.27435923 Ry\n hartree contribution = 9240.05301537 Ry\n xc contribution = -312.76658108 Ry\n ewald contribution = 8259.18707954 Ry\n DFT-D3 Dispersion = -0.16570234 Ry\n one-center paw contrib. = -427.80630892 Ry\n\n convergence has been achieved in 35 iterations\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00136174 -0.00057264 0.00173382\n atom 2 type 1 force = 0.00044019 -0.00063532 0.00005393\n atom 3 type 2 force = -0.00010626 -0.00044532 -0.00023448\n atom 4 type 2 force = -0.00032708 0.00024111 0.00049392\n atom 5 type 1 force = 0.00070829 0.00023954 -0.00184471\n atom 6 type 1 force = -0.00250056 -0.00001021 0.00074698\n atom 7 type 2 force = 0.00072286 -0.00033839 0.00006703\n atom 8 type 2 force = 0.00037375 0.00108779 -0.00027788\n atom 9 type 1 force = 0.00009711 0.00105791 -0.00042759\n atom 10 type 1 force = 0.00050337 -0.00190924 0.00082239\n atom 11 type 2 force = 0.00101762 -0.00183724 -0.00056281\n atom 12 type 2 force = -0.00199890 0.00255582 -0.00021932\n atom 13 type 1 force = -0.00107440 -0.00027776 -0.00005422\n atom 14 type 1 force = -0.00026177 0.00026679 -0.00011589\n atom 15 type 1 force = 0.00089026 -0.00255014 0.00031139\n atom 16 type 2 force = -0.00236552 -0.00128556 0.00255143\n atom 17 type 2 force = 0.00197347 0.00063382 -0.00336910\n atom 18 type 1 force = 0.00022726 -0.00038283 -0.00095491\n atom 19 type 1 force = 0.00186438 -0.00043144 0.00109585\n atom 20 type 2 force = -0.00152848 0.00304227 0.00075789\n atom 21 type 2 force = 0.00133164 -0.00140584 -0.00150272\n atom 22 type 3 force = 0.00084484 -0.00008584 -0.00016652\n atom 23 type 1 force = 0.00007230 -0.00066050 0.00085760\n atom 24 type 1 force = -0.00086130 -0.00061035 -0.00030191\n atom 25 type 1 force = -0.00013001 -0.00049487 -0.00071624\n atom 26 type 1 force = -0.00016059 0.00030424 -0.00072540\n atom 27 type 1 force = -0.00012748 0.00077345 0.00008659\n atom 28 type 1 force = 0.00030276 0.00065118 0.00004614\n atom 29 type 3 force = -0.00014745 0.00008971 0.00042802\n atom 30 type 1 force = 0.00004353 0.00038361 0.00003271\n atom 31 type 1 force = -0.00098997 0.00272859 -0.00397735\n atom 32 type 2 force = 0.00408939 -0.00775975 0.00188862\n atom 33 type 2 force = -0.00253706 0.00543724 0.00490605\n atom 34 type 1 force = -0.00070809 0.00018927 -0.00074514\n atom 35 type 1 force = 0.00212340 0.00012281 0.00019316\n atom 36 type 2 force = -0.00054643 -0.00052465 -0.00064026\n atom 37 type 2 force = -0.00052295 0.00023847 -0.00036264\n atom 38 type 1 force = 0.00010599 0.00078590 -0.00019719\n atom 39 type 1 force = 0.00103480 -0.00105950 0.00093618\n atom 40 type 1 force = -0.00026771 -0.00028653 0.00093911\n atom 41 type 2 force = -0.00108470 0.00006219 0.00020958\n atom 42 type 2 force = 0.00057066 -0.00001530 -0.00060246\n atom 43 type 1 force = -0.00023084 0.00099142 -0.00125538\n atom 44 type 1 force = -0.00085923 0.00076271 0.00070190\n atom 45 type 2 force = -0.00108247 -0.00000552 0.00003121\n atom 46 type 2 force = -0.00006160 0.00020219 -0.00059207\n atom 47 type 1 force = -0.00093240 -0.00016456 -0.00065786\n atom 48 type 1 force = -0.00013812 0.00085229 0.00013064\n atom 49 type 2 force = -0.00006865 0.00009171 0.00055907\n atom 50 type 2 force = 0.00092039 -0.00004274 -0.00007715\n\n Total force = 0.017226 Total SCF correction = 0.000030\n Energy error = 2.4E-04 Ry\n Gradient error = 7.8E-03 Ry/Bohr\n\n number of scf cycles = 94\n number of bfgs steps = 93\n\n energy old = -1655.7781589717 Ry\n energy new = -1655.7783991645 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0565811858 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7998439537 9.5962178346 9.3705692827\nN 10.5759684802 9.7353934229 8.1535737382\nO 9.5910594640 9.1039675367 8.5020708646\nO 10.6940260000 10.6718951426 7.3972231133\nN 13.1795338190 8.3386357384 9.3049711287\nN 12.4036005627 6.9511298991 10.6108448316\nO 12.2533837991 7.3887738258 11.7273219702\nO 12.2255282351 5.8850394016 10.0886845802\nN 14.4725626446 7.9689620784 9.7267752118\nN 15.3460511633 8.3519836313 6.9392078063\nO 14.9013224088 9.4297370654 6.5881540357\nO 15.8415309725 7.4264529200 6.3304209821\nN 15.1584075998 8.8252902089 10.3679229588\nN 16.4802298496 8.5795555811 10.3109932515\nN 16.8355286313 6.7197197869 9.8473056537\nO 17.5241855080 6.6173022253 8.8697560226\nO 16.3405930311 5.9443419445 10.6203721416\nN 17.2686986477 9.2561476066 11.1242131382\nN 17.5082042497 8.5196717051 12.8699026054\nO 17.7608869512 7.3368354060 12.8566715668\nO 17.3110987284 9.3146984439 13.7525148642\nC 18.4799110131 9.6062993781 10.5044994802\nN 19.5484807964 8.7025478601 9.8238171261\nN 19.5429996331 9.6862768941 8.5872169340\nN 20.6242763073 10.5335268594 9.2985788456\nN 19.5503312532 11.4252470622 9.9619259370\nN 19.5380762118 10.4397662906 11.1975748475\nN 20.6219054682 9.5928905425 10.4926813484\nC 18.4809542085 10.5276140111 9.2790856565\nN 17.2686190574 10.9209285393 8.6781080154\nN 17.2377676888 11.4192680803 6.9954979100\nO 16.4982133297 12.3615508309 6.8273956271\nO 17.8639698378 10.7060565582 6.2505092022\nN 16.4443259267 11.5525986270 9.4924749523\nN 16.7447795398 13.3918436573 10.0131945768\nO 16.1931894543 14.1935680533 9.3077135087\nO 17.4796869985 13.4677443308 10.9597605553\nN 15.1388728734 11.2269150135 9.4698363108\nN 14.4289770781 12.0215479469 10.1617651949\nN 15.2671022591 11.6056609686 12.9023796490\nO 16.0789017118 12.3370311635 13.4237622414\nO 14.5101843191 10.7576323191 13.3230375438\nN 13.1357886713 11.6278027921 10.5426758567\nN 12.4725723927 13.1972000890 9.1784088801\nO 12.5448727657 12.8956844454 8.0125527798\nO 12.2064233559 14.2028257766 9.7815535381\nN 12.7570569237 10.3850268522 10.4137100196\nN 10.5856366596 10.4400718607 11.4953619877\nO 9.5904419324 10.6884026191 10.8283722024\nO 10.6961306759 10.1303974316 12.6578812571\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 6578.9 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 22.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 6590.6 secs\n\n total energy = -1655.77809519 Ry\n estimated scf accuracy < 0.00235318 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.78E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 6594.9 secs\n\n total energy = -1655.77804100 Ry\n estimated scf accuracy < 0.02755895 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.78E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 6599.0 secs\n\n total energy = -1655.77825087 Ry\n estimated scf accuracy < 0.00248233 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.78E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 6603.2 secs\n\n total energy = -1655.77830862 Ry\n estimated scf accuracy < 0.00020543 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.67E-08, avg # of iterations = 14.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 6608.6 secs\n\n total energy = -1655.77858192 Ry\n estimated scf accuracy < 0.00013752 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.13E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 6612.9 secs\n\n total energy = -1655.77859096 Ry\n estimated scf accuracy < 0.00004430 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.65E-08, avg # of iterations = 6.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 6617.3 secs\n\n total energy = -1655.77859806 Ry\n estimated scf accuracy < 0.00003159 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.18E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 6621.7 secs\n\n total energy = -1655.77860359 Ry\n estimated scf accuracy < 0.00000642 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.40E-09, avg # of iterations = 14.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 6627.6 secs\n\n total energy = -1655.77861494 Ry\n estimated scf accuracy < 0.00000333 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.24E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6632.0 secs\n\n total energy = -1655.77861489 Ry\n estimated scf accuracy < 0.00000317 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.18E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6636.4 secs\n\n total energy = -1655.77861493 Ry\n estimated scf accuracy < 0.00000270 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.01E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6640.9 secs\n\n total energy = -1655.77861521 Ry\n estimated scf accuracy < 0.00000026 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 4 eigenvalues not converged\n ethr = 9.56E-11, avg # of iterations = 20.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6648.3 secs\n\n total energy = -1655.77861643 Ry\n estimated scf accuracy < 0.00000077 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.56E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 6652.6 secs\n\n total energy = -1655.77861640 Ry\n estimated scf accuracy < 0.00000042 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.56E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 6657.5 secs\n\n total energy = -1655.77861640 Ry\n estimated scf accuracy < 0.00000018 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.84E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 6661.9 secs\n\n total energy = -1655.77861641 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.97E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 6667.2 secs\n\n total energy = -1655.77861645 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.46E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 6672.5 secs\n\n total energy = -1655.77861646 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.37E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 6677.0 secs\n\n total energy = -1655.77861646 Ry\n estimated scf accuracy < 5.6E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.11E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 6681.9 secs\n\n total energy = -1655.77861647 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.11E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 6686.4 secs\n\n total energy = -1655.77861648 Ry\n estimated scf accuracy < 1.7E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.16E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6691.5 secs\n\n total energy = -1655.77861648 Ry\n estimated scf accuracy < 7.4E-10 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.76E-13, avg # of iterations = 14.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6697.0 secs\n\n total energy = -1655.77861648 Ry\n estimated scf accuracy < 7.6E-10 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.76E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6701.4 secs\n\n total energy = -1655.77861649 Ry\n estimated scf accuracy < 3.4E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.29E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6706.4 secs\n\n total energy = -1655.77861649 Ry\n estimated scf accuracy < 3.0E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.11E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 6710.1 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8473 -32.8031 -32.7843 -32.7267 -32.6455 -32.5388 -32.2136 -32.0483\n -32.0384 -32.0123 -30.6857 -29.6930 -29.2938 -28.9948 -28.9748 -28.8784\n -28.8656 -28.8554 -28.7901 -28.6535 -28.4863 -28.2832 -28.1814 -28.1262\n -27.5025 -26.8783 -25.6025 -24.8001 -24.3901 -24.0356 -22.8526 -22.0220\n -20.7272 -19.2339 -18.7022 -18.2335 -18.0527 -17.4609 -17.3969 -17.3266\n -17.1248 -16.9440 -16.6194 -16.5832 -16.5436 -16.5186 -16.4407 -16.4030\n -15.7847 -15.7367 -15.5274 -15.3322 -15.1938 -15.1003 -15.0126 -14.8738\n -14.7705 -14.7408 -14.6387 -14.5996 -14.5633 -14.4756 -14.4449 -14.3689\n -14.2937 -14.2856 -14.2475 -14.2305 -14.1821 -14.1640 -14.0727 -14.0206\n -13.9913 -13.9100 -13.8781 -13.8580 -13.8204 -13.8013 -13.7521 -13.7151\n -13.6558 -13.5856 -13.2426 -13.0532 -12.7276 -12.4142 -12.1551 -12.0876\n -11.8047 -11.5112 -11.4378 -11.3493 -10.9519 -10.7843 -10.4830 -10.0665\n -9.9241 -9.8104 -9.7517 -9.6880 -9.6175 -9.6164 -9.5693 -9.5581\n -9.5415 -9.4163 -9.3650 -9.3369 -9.3228 -9.2212 -9.1639 -9.0945\n -9.0367 -8.9818 -8.9490 -8.9067 -8.8217 -8.7697 -8.6819 -8.6011\n -8.5288 -8.2786 -8.1567 -8.1099 -7.7671 -7.6201 -7.3628 -7.2276\n -6.9944 -6.8545 -6.4091 -6.3537 -6.2821 -6.0954 -6.0770 -5.8698\n -5.5823 -4.9208 -4.7558 -4.7170 -4.4330 -4.1762 -4.1219 -4.0412\n -4.0016 -3.9167 -3.8192 -3.7001 -3.6898 -3.6596 -3.6219 -3.5337\n -3.4251 -3.1930 -3.0477 -2.8436 -2.4205 -2.2781 -0.7686 -0.4016\n -0.1604\n\n the Fermi energy is -6.0862 ev\n\n! total energy = -1655.77861650 Ry\n total all-electron energy = -6224.610964 Ry\n estimated scf accuracy < 1.9E-10 Ry\n smearing contrib. (-TS) = -0.00554018 Ry\n internal energy E=F+TS = -1655.77307632 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18412.50855978 Ry\n hartree contribution = 9239.17021940 Ry\n xc contribution = -312.77101862 Ry\n ewald contribution = 8258.30843885 Ry\n DFT-D3 Dispersion = -0.16563863 Ry\n one-center paw contrib. = -427.80651754 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00152561 -0.00059295 0.00186279\n atom 2 type 1 force = 0.00048555 -0.00026166 -0.00026301\n atom 3 type 2 force = 0.00010155 -0.00065613 -0.00038183\n atom 4 type 2 force = -0.00072008 -0.00001774 0.00074007\n atom 5 type 1 force = 0.00130361 0.00006022 -0.00186755\n atom 6 type 1 force = -0.00273416 0.00020808 0.00032348\n atom 7 type 2 force = 0.00112752 -0.00057599 -0.00073103\n atom 8 type 2 force = 0.00038893 0.00096939 0.00054632\n atom 9 type 1 force = -0.00001012 0.00114119 -0.00074383\n atom 10 type 1 force = 0.00104621 -0.00282275 -0.00000032\n atom 11 type 2 force = 0.00085735 -0.00173055 -0.00046171\n atom 12 type 2 force = -0.00245419 0.00329415 0.00045391\n atom 13 type 1 force = -0.00165825 -0.00004155 0.00028573\n atom 14 type 1 force = -0.00124045 0.00056438 0.00024042\n atom 15 type 1 force = 0.00267865 -0.00150012 -0.00052741\n atom 16 type 2 force = -0.00144756 -0.00064535 0.00048450\n atom 17 type 2 force = -0.00033859 -0.00119612 -0.00032514\n atom 18 type 1 force = 0.00026162 -0.00081678 -0.00145511\n atom 19 type 1 force = 0.00293787 -0.00046236 0.00089752\n atom 20 type 2 force = -0.00171640 0.00217230 0.00044809\n atom 21 type 2 force = 0.00075551 -0.00056005 -0.00134538\n atom 22 type 3 force = 0.00071213 -0.00066163 0.00006610\n atom 23 type 1 force = 0.00086387 -0.00012617 0.00060806\n atom 24 type 1 force = -0.00049113 -0.00092920 0.00073670\n atom 25 type 1 force = -0.00016411 -0.00022082 -0.00104097\n atom 26 type 1 force = -0.00025653 0.00011811 -0.00091442\n atom 27 type 1 force = 0.00006206 0.00061719 0.00024416\n atom 28 type 1 force = 0.00066511 0.00075923 0.00031015\n atom 29 type 3 force = -0.00033484 -0.00025639 0.00046176\n atom 30 type 1 force = -0.00085346 0.00019633 -0.00007658\n atom 31 type 1 force = -0.00132524 0.00517472 -0.00260261\n atom 32 type 2 force = 0.00387199 -0.00779767 0.00167516\n atom 33 type 2 force = -0.00204284 0.00377012 0.00410409\n atom 34 type 1 force = -0.00024627 -0.00002829 -0.00147297\n atom 35 type 1 force = 0.00227703 0.00101116 0.00050998\n atom 36 type 2 force = -0.00039968 -0.00082736 -0.00071477\n atom 37 type 2 force = -0.00083830 -0.00009374 -0.00065499\n atom 38 type 1 force = 0.00005246 0.00107980 -0.00055071\n atom 39 type 1 force = 0.00027069 -0.00077337 0.00101122\n atom 40 type 1 force = -0.00000864 -0.00014070 0.00141103\n atom 41 type 2 force = -0.00132807 -0.00006692 -0.00017388\n atom 42 type 2 force = 0.00057752 0.00000618 -0.00076071\n atom 43 type 1 force = -0.00009276 0.00055904 -0.00084823\n atom 44 type 1 force = -0.00097174 0.00051240 0.00034596\n atom 45 type 2 force = -0.00085143 -0.00003806 0.00019977\n atom 46 type 2 force = 0.00017611 -0.00014451 -0.00035760\n atom 47 type 1 force = -0.00166405 0.00068096 -0.00059322\n atom 48 type 1 force = 0.00004861 0.00080352 0.00039979\n atom 49 type 2 force = 0.00009102 0.00021050 0.00096783\n atom 50 type 2 force = 0.00105037 0.00007598 -0.00047064\n\n Total force = 0.016886 Total SCF correction = 0.000034\n Energy error = 2.2E-04 Ry\n Gradient error = 7.8E-03 Ry/Bohr\n\n number of scf cycles = 95\n number of bfgs steps = 94\n\n energy old = -1655.7783991645 Ry\n energy new = -1655.7786165031 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0727983570 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8008617975 9.5875318885 9.3747657010\nN 10.5768394937 9.7267386393 8.1577953336\nO 9.5911504463 9.0968777056 8.5065232970\nO 10.6958901563 10.6620724833 7.3997610139\nN 13.1803119560 8.3290335268 9.3143986518\nN 12.4002704209 6.9482455956 10.6206364163\nO 12.2492282181 7.3776381675 11.7396721122\nO 12.2199936761 5.8880902177 10.0880430245\nN 14.4753049724 7.9628402485 9.7360400910\nN 15.3473953358 8.3390787481 6.9440666071\nO 14.9167508729 9.4242607214 6.5970131474\nO 15.8369805713 7.4156275694 6.3280892478\nN 15.1624004628 8.8240001385 10.3677818593\nN 16.4844749891 8.5810224701 10.3100851031\nN 16.8454206417 6.7220859397 9.8409804740\nO 17.5318211275 6.6289724492 8.8600638973\nO 16.3609717537 5.9371067355 10.6114544786\nN 17.2712380382 9.2629722220 11.1200322547\nN 17.5120459978 8.5338278482 12.8698487343\nO 17.7476534020 7.3476054685 12.8603314774\nO 17.3321104310 9.3343283847 13.7505628682\nC 18.4813983028 9.6148844901 10.4989687831\nN 19.5480073966 8.7091206981 9.8196790051\nN 19.5418626068 9.6912977279 8.5798326987\nN 20.6244796336 10.5388499192 9.2899407706\nN 19.5513068072 11.4331816689 9.9520529398\nN 19.5389747417 10.4503823250 11.1899571618\nN 20.6221330137 9.6010398178 10.4858925270\nC 18.4813411762 10.5343566974 9.2725288153\nN 17.2675862558 10.9263509133 8.6740716267\nN 17.2253338352 11.4205073720 6.9932986875\nO 16.4637876756 12.3442877709 6.8283445546\nO 17.8721438950 10.7270808963 6.2484511895\nN 16.4430696123 11.5530758242 9.4909821894\nN 16.7409401298 13.3894997850 10.0121653246\nO 16.1856648005 14.1909223435 9.3089922557\nO 17.4765078912 13.4662114320 10.9580226857\nN 15.1389695328 11.2250601050 9.4706198953\nN 14.4285409332 12.0186233743 10.1634345690\nN 15.2672413034 11.6062180919 12.9060556954\nO 16.0742251279 12.3393731736 13.4326564941\nO 14.5173121508 10.7491151940 13.3210552877\nN 13.1359561809 11.6234933457 10.5419159327\nN 12.4668506945 13.2011804573 9.1832045611\nO 12.5311209833 12.8984705241 8.0170120307\nO 12.2054122329 14.2082743394 9.7860266213\nN 12.7608974414 10.3799438661 10.4144251607\nN 10.5858638944 10.4308444063 11.4956694128\nO 9.5905899940 10.6754124354 10.8272786220\nO 10.6960600391 10.1286620963 12.6603204447\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 6720.4 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 30.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 6733.7 secs\n\n total energy = -1655.77752296 Ry\n estimated scf accuracy < 0.01240557 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.63E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 6737.9 secs\n\n total energy = -1655.77533675 Ry\n estimated scf accuracy < 0.46742879 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.63E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6742.1 secs\n\n total energy = -1655.77852058 Ry\n estimated scf accuracy < 0.00116687 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.35E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 6746.4 secs\n\n total energy = -1655.77857911 Ry\n estimated scf accuracy < 0.00141709 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.35E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6750.6 secs\n\n total energy = -1655.77863495 Ry\n estimated scf accuracy < 0.00013708 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.12E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6756.3 secs\n\n total energy = -1655.77884179 Ry\n estimated scf accuracy < 0.00015215 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.12E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 6760.6 secs\n\n total energy = -1655.77883794 Ry\n estimated scf accuracy < 0.00006213 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.32E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 6765.0 secs\n\n total energy = -1655.77884519 Ry\n estimated scf accuracy < 0.00004050 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.827E-02 0.000E+00\n\n total cpu time spent up to now is 6769.4 secs\n\n total energy = -1655.77884670 Ry\n estimated scf accuracy < 0.00000989 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.69E-09, avg # of iterations = 13.0\n\n negative rho (up, down): 2.826E-02 0.000E+00\n\n total cpu time spent up to now is 6775.0 secs\n\n total energy = -1655.77886136 Ry\n estimated scf accuracy < 0.00000829 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 6779.3 secs\n\n total energy = -1655.77886209 Ry\n estimated scf accuracy < 0.00000389 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 6783.9 secs\n\n total energy = -1655.77886394 Ry\n estimated scf accuracy < 0.00000674 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 6788.6 secs\n\n total energy = -1655.77886489 Ry\n estimated scf accuracy < 0.00001034 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 6793.0 secs\n\n total energy = -1655.77886524 Ry\n estimated scf accuracy < 0.00001105 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 6797.3 secs\n\n total energy = -1655.77886487 Ry\n estimated scf accuracy < 0.00001162 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 6801.5 secs\n\n total energy = -1655.77886294 Ry\n estimated scf accuracy < 0.00001083 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.823E-02 0.000E+00\n\n total cpu time spent up to now is 6805.9 secs\n\n total energy = -1655.77886260 Ry\n estimated scf accuracy < 0.00000593 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 6810.2 secs\n\n total energy = -1655.77886191 Ry\n estimated scf accuracy < 0.00000376 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.40E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 6814.7 secs\n\n total energy = -1655.77886243 Ry\n estimated scf accuracy < 0.00000091 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.41E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 6819.6 secs\n\n total energy = -1655.77886292 Ry\n estimated scf accuracy < 0.00000054 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.00E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 6823.9 secs\n\n total energy = -1655.77886286 Ry\n estimated scf accuracy < 0.00000039 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 6828.7 secs\n\n total energy = -1655.77886301 Ry\n estimated scf accuracy < 0.00000022 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.14E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 6833.1 secs\n\n total energy = -1655.77886304 Ry\n estimated scf accuracy < 0.00000014 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.17E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 6837.5 secs\n\n total energy = -1655.77886306 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.61E-11, avg # of iterations = 15.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 6843.1 secs\n\n total energy = -1655.77886312 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.79E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 6847.5 secs\n\n total energy = -1655.77886313 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.31E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 6852.5 secs\n\n total energy = -1655.77886314 Ry\n estimated scf accuracy < 7.9E-09 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.95E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 6856.9 secs\n\n total energy = -1655.77886317 Ry\n estimated scf accuracy < 5.8E-09 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.16E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 6861.7 secs\n\n total energy = -1655.77886318 Ry\n estimated scf accuracy < 3.1E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.16E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 6866.5 secs\n\n total energy = -1655.77886319 Ry\n estimated scf accuracy < 1.7E-09 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.31E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 6871.3 secs\n\n total energy = -1655.77886320 Ry\n estimated scf accuracy < 9.7E-10 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.64E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 6875.9 secs\n\n total energy = -1655.77886320 Ry\n estimated scf accuracy < 7.1E-10 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.66E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 6880.3 secs\n\n total energy = -1655.77886321 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.66E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 6884.6 secs\n\n total energy = -1655.77886321 Ry\n estimated scf accuracy < 6.4E-10 Ry\n\n iteration # 35 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.39E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 6889.0 secs\n\n total energy = -1655.77886322 Ry\n estimated scf accuracy < 2.3E-10 Ry\n\n iteration # 36 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 6893.1 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8538 -32.8096 -32.7865 -32.7324 -32.6616 -32.5351 -32.2147 -32.0441\n -32.0310 -32.0072 -30.6823 -29.7021 -29.3042 -28.9954 -28.9530 -28.9046\n -28.8847 -28.8588 -28.7847 -28.6635 -28.4867 -28.2618 -28.1786 -28.1191\n -27.5110 -26.8867 -25.6084 -24.7969 -24.3909 -24.0413 -22.8579 -22.0277\n -20.7355 -19.2374 -18.7080 -18.2404 -18.0676 -17.4623 -17.4035 -17.3216\n -17.1320 -16.9450 -16.6218 -16.5864 -16.5414 -16.5112 -16.4384 -16.4064\n -15.7930 -15.7384 -15.5262 -15.3351 -15.1931 -15.1024 -15.0141 -14.8763\n -14.7777 -14.7540 -14.6346 -14.6040 -14.5626 -14.4872 -14.4480 -14.3644\n -14.2934 -14.2827 -14.2404 -14.2380 -14.1907 -14.1625 -14.0718 -14.0233\n -13.9926 -13.8966 -13.8707 -13.8540 -13.8165 -13.7989 -13.7515 -13.7130\n -13.6516 -13.5756 -13.2455 -13.0548 -12.7311 -12.4183 -12.1572 -12.0953\n -11.8062 -11.5152 -11.4378 -11.3490 -10.9545 -10.7853 -10.4888 -10.0679\n -9.9281 -9.8156 -9.7498 -9.6903 -9.6259 -9.6183 -9.5743 -9.5590\n -9.5392 -9.4189 -9.3658 -9.3250 -9.3218 -9.2208 -9.1607 -9.0995\n -9.0352 -8.9801 -8.9400 -8.9104 -8.8272 -8.7523 -8.6852 -8.5989\n -8.5243 -8.2849 -8.1608 -8.1103 -7.7719 -7.6189 -7.3642 -7.2287\n -6.9939 -6.8537 -6.4090 -6.3577 -6.2855 -6.1004 -6.0816 -5.8705\n -5.5825 -4.9255 -4.7538 -4.7195 -4.4233 -4.1718 -4.1206 -4.0411\n -4.0000 -3.9198 -3.8201 -3.7035 -3.6908 -3.6508 -3.6253 -3.5313\n -3.4238 -3.1918 -3.0454 -2.8469 -2.4250 -2.2728 -0.7808 -0.4023\n -0.1624\n\n the Fermi energy is -6.0910 ev\n\n! total energy = -1655.77886324 Ry\n total all-electron energy = -6224.611211 Ry\n estimated scf accuracy < 1.2E-10 Ry\n smearing contrib. (-TS) = -0.00553529 Ry\n internal energy E=F+TS = -1655.77332795 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18411.79309906 Ry\n hartree contribution = 9238.80343219 Ry\n xc contribution = -312.77817027 Ry\n ewald contribution = 8257.96649782 Ry\n DFT-D3 Dispersion = -0.16560470 Ry\n one-center paw contrib. = -427.80638394 Ry\n\n convergence has been achieved in 36 iterations\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00194346 -0.00007877 0.00117068\n atom 2 type 1 force = 0.00006429 0.00025028 -0.00087555\n atom 3 type 2 force = 0.00003057 -0.00095863 -0.00041972\n atom 4 type 2 force = -0.00127611 -0.00042888 0.00119390\n atom 5 type 1 force = 0.00149609 0.00083186 -0.00114917\n atom 6 type 1 force = -0.00213692 0.00021119 -0.00127656\n atom 7 type 2 force = 0.00125827 -0.00003003 -0.00020930\n atom 8 type 2 force = 0.00003796 -0.00016622 0.00109813\n atom 9 type 1 force = -0.00039476 0.00028774 -0.00129038\n atom 10 type 1 force = 0.00069852 -0.00168611 -0.00097719\n atom 11 type 2 force = 0.00039215 -0.00117715 0.00037799\n atom 12 type 2 force = -0.00172172 0.00151569 0.00051194\n atom 13 type 1 force = -0.00180891 0.00028712 0.00091243\n atom 14 type 1 force = -0.00165916 0.00064791 0.00060928\n atom 15 type 1 force = 0.00388212 -0.00306681 -0.00148374\n atom 16 type 2 force = -0.00232110 -0.00032224 0.00136412\n atom 17 type 2 force = -0.00044532 0.00029741 -0.00048895\n atom 18 type 1 force = 0.00037863 -0.00067065 -0.00120445\n atom 19 type 1 force = 0.00319354 -0.00137518 0.00041036\n atom 20 type 2 force = -0.00163916 0.00153205 0.00012166\n atom 21 type 2 force = 0.00044323 0.00080886 -0.00085719\n atom 22 type 3 force = 0.00020944 -0.00086935 0.00013032\n atom 23 type 1 force = 0.00148358 0.00069126 0.00038311\n atom 24 type 1 force = 0.00021055 -0.00117548 0.00182166\n atom 25 type 1 force = 0.00004651 0.00004006 -0.00109595\n atom 26 type 1 force = -0.00046992 -0.00033312 -0.00105873\n atom 27 type 1 force = 0.00027593 0.00009547 0.00013178\n atom 28 type 1 force = 0.00123399 0.00084114 0.00031083\n atom 29 type 3 force = -0.00049172 -0.00084597 0.00012981\n atom 30 type 1 force = -0.00013625 -0.00071391 -0.00076095\n atom 31 type 1 force = -0.00044842 0.00559751 -0.00043309\n atom 32 type 2 force = 0.00231740 -0.00588653 0.00061910\n atom 33 type 2 force = -0.00155771 0.00234350 0.00308881\n atom 34 type 1 force = -0.00056486 0.00054194 -0.00113035\n atom 35 type 1 force = 0.00158622 0.00114171 0.00025079\n atom 36 type 2 force = -0.00010623 -0.00070915 -0.00080843\n atom 37 type 2 force = -0.00045389 -0.00004484 -0.00028049\n atom 38 type 1 force = -0.00031198 0.00092169 -0.00078331\n atom 39 type 1 force = -0.00009235 -0.00022914 0.00055615\n atom 40 type 1 force = 0.00024359 0.00003967 0.00165532\n atom 41 type 2 force = -0.00155391 -0.00018229 -0.00045444\n atom 42 type 2 force = 0.00055953 -0.00000332 -0.00081376\n atom 43 type 1 force = 0.00000980 0.00045261 0.00006619\n atom 44 type 1 force = -0.00082283 0.00018537 -0.00056546\n atom 45 type 2 force = -0.00067300 -0.00007631 0.00042215\n atom 46 type 2 force = 0.00037070 -0.00050648 0.00020832\n atom 47 type 1 force = -0.00267549 0.00059164 -0.00030518\n atom 48 type 1 force = 0.00041877 0.00117319 0.00043375\n atom 49 type 2 force = -0.00008688 0.00026780 0.00115926\n atom 50 type 2 force = 0.00106377 -0.00005811 -0.00041549\n\n Total force = 0.015343 Total SCF correction = 0.000027\n Energy error = 2.5E-04 Ry\n Gradient error = 5.9E-03 Ry/Bohr\n\n number of scf cycles = 96\n number of bfgs steps = 95\n\n energy old = -1655.7786165031 Ry\n energy new = -1655.7788632412 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0906607635 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8064687559 9.5782871308 9.3807820408\nN 10.5770038014 9.7157487122 8.1616716238\nO 9.5901160883 9.0880628438 8.5110486079\nO 10.6969931208 10.6496488878 7.4018136398\nN 13.1839709819 8.3193286229 9.3224034763\nN 12.3995476670 6.9435840207 10.6303485575\nO 12.2462308294 7.3679258627 11.7511129484\nO 12.2218928756 5.8864290017 10.0913543817\nN 14.4798854209 7.9559400391 9.7427070792\nN 15.3518965190 8.3263764044 6.9534980025\nO 14.9350706176 9.4184369095 6.6104501303\nO 15.8293982860 7.4028610760 6.3277150984\nN 15.1658207354 8.8221955562 10.3687125228\nN 16.4888397495 8.5848340140 10.3084766028\nN 16.8599820440 6.7230797904 9.8320242845\nO 17.5393683573 6.6398042374 8.8461978304\nO 16.3840544627 5.9313034645 10.5986123488\nN 17.2737838205 9.2729688087 11.1147979537\nN 17.5180434595 8.5520782340 12.8711643766\nO 17.7330991716 7.3623920732 12.8671960912\nO 17.3544048163 9.3597550579 13.7480770585\nC 18.4824458754 9.6257999894 10.4926169059\nN 19.5476049548 8.7181213932 9.8156077291\nN 19.5396656354 9.6962805665 8.5723085703\nN 20.6238481451 10.5458146869 9.2782073309\nN 19.5509566833 11.4430487030 9.9385487686\nN 19.5394036197 10.4645528012 11.1803794227\nN 20.6224582612 9.6126180255 10.4778978512\nC 18.4805603919 10.5418360684 9.2642339562\nN 17.2655305080 10.9322474831 8.6682333345\nN 17.2077633576 11.4228957618 6.9909732594\nO 16.4203218674 12.3239990306 6.8274787114\nO 17.8767197773 10.7500711721 6.2477929550\nN 16.4403345845 11.5539101793 9.4888700625\nN 16.7355965899 13.3879664952 10.0111200533\nO 16.1780847337 14.1882597172 9.3077522115\nO 17.4684677110 13.4654357404 10.9590916695\nN 15.1380385067 11.2219912122 9.4725033317\nN 14.4273749267 12.0137034687 10.1672395481\nN 15.2678156791 11.6056360211 12.9082174711\nO 16.0684590061 12.3423181573 13.4388897602\nO 14.5272149087 10.7375223784 13.3167104569\nN 13.1355628038 11.6175148145 10.5441861822\nN 12.4628921661 13.2034760125 9.1903631528\nO 12.5179910885 12.8995950621 8.0239514351\nO 12.2084621785 14.2122036579 9.7935310475\nN 12.7623949762 10.3726984466 10.4172100521\nN 10.5853961552 10.4205670679 11.4967364056\nO 9.5897144394 10.6589135020 10.8266505737\nO 10.6957419317 10.1256398961 12.6633348681\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 6903.2 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 34.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 6917.1 secs\n\n total energy = -1655.77534184 Ry\n estimated scf accuracy < 0.03594753 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.34E-05, avg # of iterations = 1.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 6921.2 secs\n\n total energy = -1655.77392655 Ry\n estimated scf accuracy < 0.75117348 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.34E-05, avg # of iterations = 1.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6925.4 secs\n\n total energy = -1655.77842743 Ry\n estimated scf accuracy < 0.00698246 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.61E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 6929.6 secs\n\n total energy = -1655.77811519 Ry\n estimated scf accuracy < 0.06001146 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.61E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 6933.8 secs\n\n total energy = -1655.77894050 Ry\n estimated scf accuracy < 0.00919445 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.61E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 6938.0 secs\n\n total energy = -1655.77875124 Ry\n estimated scf accuracy < 0.01072154 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.61E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 6942.5 secs\n\n total energy = -1655.77889189 Ry\n estimated scf accuracy < 0.00544039 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.03E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 6946.8 secs\n\n total energy = -1655.77896617 Ry\n estimated scf accuracy < 0.00058788 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 6951.1 secs\n\n total energy = -1655.77898840 Ry\n estimated scf accuracy < 0.00000404 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 37.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 6963.3 secs\n\n total energy = -1655.77913817 Ry\n estimated scf accuracy < 0.00010580 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 6967.7 secs\n\n total energy = -1655.77913190 Ry\n estimated scf accuracy < 0.00015195 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 6971.9 secs\n\n total energy = -1655.77911847 Ry\n estimated scf accuracy < 0.00006146 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 6.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6976.7 secs\n\n total energy = -1655.77912123 Ry\n estimated scf accuracy < 0.00001488 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6981.1 secs\n\n total energy = -1655.77911959 Ry\n estimated scf accuracy < 0.00001334 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 6985.4 secs\n\n total energy = -1655.77911914 Ry\n estimated scf accuracy < 0.00000699 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 6989.8 secs\n\n total energy = -1655.77911817 Ry\n estimated scf accuracy < 0.00000453 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 7.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 6994.3 secs\n\n total energy = -1655.77911861 Ry\n estimated scf accuracy < 0.00000094 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.50E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 6999.6 secs\n\n total energy = -1655.77911947 Ry\n estimated scf accuracy < 0.00000020 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.40E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 7005.3 secs\n\n total energy = -1655.77911971 Ry\n estimated scf accuracy < 0.00000053 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.40E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 7009.8 secs\n\n total energy = -1655.77911971 Ry\n estimated scf accuracy < 0.00000047 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.40E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 7014.0 secs\n\n total energy = -1655.77911967 Ry\n estimated scf accuracy < 0.00000034 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.40E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7018.4 secs\n\n total energy = -1655.77911966 Ry\n estimated scf accuracy < 0.00000018 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.60E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 7023.1 secs\n\n total energy = -1655.77911970 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.68E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 7027.6 secs\n\n total energy = -1655.77911970 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.22E-11, avg # of iterations = 6.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 7032.0 secs\n\n total energy = -1655.77911970 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.50E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 7036.9 secs\n\n total energy = -1655.77911971 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.19E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 7041.4 secs\n\n total energy = -1655.77911971 Ry\n estimated scf accuracy < 7.9E-09 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.95E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7046.1 secs\n\n total energy = -1655.77911972 Ry\n estimated scf accuracy < 3.8E-09 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.43E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7051.2 secs\n\n total energy = -1655.77911972 Ry\n estimated scf accuracy < 3.0E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.11E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7055.7 secs\n\n total energy = -1655.77911973 Ry\n estimated scf accuracy < 1.5E-09 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.57E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7060.5 secs\n\n total energy = -1655.77911972 Ry\n estimated scf accuracy < 1.6E-09 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.57E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7064.9 secs\n\n total energy = -1655.77911973 Ry\n estimated scf accuracy < 5.3E-10 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.96E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 7069.9 secs\n\n total energy = -1655.77911973 Ry\n estimated scf accuracy < 4.9E-10 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.83E-13, avg # of iterations = 4.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 7073.6 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8616 -32.8241 -32.8091 -32.7386 -32.6664 -32.5319 -32.2264 -32.0381\n -32.0114 -32.0009 -30.6792 -29.7091 -29.3088 -28.9980 -28.9725 -28.9266\n -28.8934 -28.8624 -28.7807 -28.6694 -28.5000 -28.2253 -28.1698 -28.1138\n -27.5144 -26.8906 -25.6085 -24.7950 -24.3891 -24.0480 -22.8639 -22.0298\n -20.7409 -19.2378 -18.7100 -18.2481 -18.0837 -17.4584 -17.4058 -17.3063\n -17.1341 -16.9438 -16.6239 -16.5921 -16.5381 -16.4966 -16.4334 -16.4071\n -15.8006 -15.7393 -15.5283 -15.3385 -15.1927 -15.1054 -15.0132 -14.8785\n -14.7813 -14.7660 -14.6451 -14.6083 -14.5624 -14.4919 -14.4515 -14.3601\n -14.2966 -14.2843 -14.2447 -14.2426 -14.1971 -14.1604 -14.0698 -14.0324\n -14.0008 -13.8742 -13.8593 -13.8443 -13.8132 -13.7914 -13.7539 -13.7085\n -13.6459 -13.5570 -13.2532 -13.0563 -12.7327 -12.4226 -12.1610 -12.1032\n -11.8067 -11.5181 -11.4379 -11.3487 -10.9554 -10.7856 -10.4898 -10.0684\n -9.9291 -9.8175 -9.7496 -9.6916 -9.6318 -9.6211 -9.5783 -9.5586\n -9.5445 -9.4273 -9.3671 -9.3197 -9.3043 -9.2232 -9.1622 -9.1024\n -9.0334 -8.9773 -8.9399 -8.9185 -8.8371 -8.7254 -8.6851 -8.5947\n -8.5187 -8.2885 -8.1637 -8.1105 -7.7741 -7.6190 -7.3653 -7.2274\n -6.9872 -6.8509 -6.4108 -6.3566 -6.2839 -6.1032 -6.0836 -5.8705\n -5.5837 -4.9316 -4.7575 -4.7258 -4.4125 -4.1627 -4.1214 -4.0381\n -3.9929 -3.9232 -3.8194 -3.7083 -3.6898 -3.6373 -3.6242 -3.5255\n -3.4247 -3.1855 -3.0429 -2.8494 -2.4294 -2.2663 -0.7851 -0.4024\n -0.1644\n\n the Fermi energy is -6.0934 ev\n\n! total energy = -1655.77911974 Ry\n total all-electron energy = -6224.611468 Ry\n estimated scf accuracy < 1.5E-10 Ry\n smearing contrib. (-TS) = -0.00552684 Ry\n internal energy E=F+TS = -1655.77359290 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18413.69579691 Ry\n hartree contribution = 9239.75230353 Ry\n xc contribution = -312.78697849 Ry\n ewald contribution = 8258.92885356 Ry\n DFT-D3 Dispersion = -0.16569827 Ry\n one-center paw contrib. = -427.80627633 Ry\n\n convergence has been achieved in 34 iterations\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00126291 0.00074736 -0.00003269\n atom 2 type 1 force = -0.00015686 0.00037832 -0.00110457\n atom 3 type 2 force = 0.00024353 -0.00128550 -0.00050117\n atom 4 type 2 force = -0.00168742 -0.00034888 0.00124541\n atom 5 type 1 force = 0.00123696 0.00112152 -0.00041523\n atom 6 type 1 force = -0.00153178 0.00044675 -0.00171761\n atom 7 type 2 force = 0.00141031 -0.00009945 -0.00089799\n atom 8 type 2 force = -0.00041691 -0.00079558 0.00175054\n atom 9 type 1 force = -0.00012652 -0.00007848 -0.00122401\n atom 10 type 1 force = 0.00097106 -0.00178729 -0.00282470\n atom 11 type 2 force = -0.00032352 -0.00012268 0.00129642\n atom 12 type 2 force = -0.00140291 0.00040909 0.00132388\n atom 13 type 1 force = -0.00071950 -0.00009835 0.00115461\n atom 14 type 1 force = -0.00154137 0.00033443 0.00121246\n atom 15 type 1 force = 0.00357430 -0.00077002 -0.00262833\n atom 16 type 2 force = -0.00072939 -0.00016136 -0.00046394\n atom 17 type 2 force = -0.00196269 -0.00150414 0.00245504\n atom 18 type 1 force = -0.00022816 -0.00080089 -0.00065933\n atom 19 type 1 force = 0.00252777 -0.00124833 -0.00038066\n atom 20 type 2 force = -0.00129049 0.00023175 -0.00005716\n atom 21 type 2 force = 0.00051432 0.00176869 -0.00027605\n atom 22 type 3 force = -0.00020531 -0.00089856 0.00015839\n atom 23 type 1 force = 0.00168801 0.00101798 0.00042931\n atom 24 type 1 force = 0.00107949 -0.00136398 0.00188861\n atom 25 type 1 force = 0.00015183 0.00033429 -0.00074600\n atom 26 type 1 force = -0.00040895 -0.00059209 -0.00091897\n atom 27 type 1 force = 0.00031748 -0.00020069 -0.00018409\n atom 28 type 1 force = 0.00109026 0.00080195 0.00025000\n atom 29 type 3 force = -0.00014002 -0.00106896 -0.00055944\n atom 30 type 1 force = -0.00132362 -0.00026875 -0.00073745\n atom 31 type 1 force = 0.00038988 0.00553291 0.00146848\n atom 32 type 2 force = 0.00166358 -0.00491204 0.00011953\n atom 33 type 2 force = -0.00113094 0.00155428 0.00163017\n atom 34 type 1 force = 0.00013220 0.00026051 -0.00112746\n atom 35 type 1 force = 0.00052296 0.00118548 -0.00000416\n atom 36 type 2 force = 0.00081798 -0.00091341 -0.00019043\n atom 37 type 2 force = -0.00049105 0.00023638 -0.00071876\n atom 38 type 1 force = -0.00034273 0.00104365 -0.00102883\n atom 39 type 1 force = -0.00087843 -0.00002826 0.00018968\n atom 40 type 1 force = 0.00014191 0.00004383 0.00108627\n atom 41 type 2 force = -0.00136927 0.00003424 -0.00017768\n atom 42 type 2 force = 0.00044333 -0.00015608 -0.00054113\n atom 43 type 1 force = -0.00026150 -0.00024045 0.00106034\n atom 44 type 1 force = -0.00084053 -0.00004779 -0.00115294\n atom 45 type 2 force = -0.00049694 -0.00011341 0.00042977\n atom 46 type 2 force = 0.00049263 -0.00077927 0.00061396\n atom 47 type 1 force = -0.00258432 0.00152775 0.00010160\n atom 48 type 1 force = 0.00052938 0.00126297 0.00046414\n atom 49 type 2 force = 0.00023676 0.00047040 0.00142688\n atom 50 type 2 force = 0.00115231 -0.00005984 -0.00048472\n\n Total force = 0.014684 Total SCF correction = 0.000027\n Energy error = 2.6E-04 Ry\n Gradient error = 5.5E-03 Ry/Bohr\n\n number of scf cycles = 97\n number of bfgs steps = 96\n\n energy old = -1655.7788632412 Ry\n energy new = -1655.7791197429 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0965298156 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8099183010 9.5691202944 9.3859933070\nN 10.5785849607 9.7038757264 8.1655706154\nO 9.5907957631 9.0784873435 8.5168114943\nO 10.6983158528 10.6370463654 7.4045491922\nN 13.1887776032 8.3107699774 9.3294363122\nN 12.3968488262 6.9404764682 10.6383648132\nO 12.2471872754 7.3584176343 11.7618698183\nO 12.2217534636 5.8851357305 10.0953803676\nN 14.4842303939 7.9505169758 9.7504033231\nN 15.3559945059 8.3123666639 6.9641788098\nO 14.9543594579 9.4123292495 6.6265968329\nO 15.8187750759 7.3887458342 6.3288043917\nN 15.1686816298 8.8214361447 10.3720357610\nN 16.4921332524 8.5886784619 10.3091771736\nN 16.8764608280 6.7238654907 9.8235892679\nO 17.5467455036 6.6542328363 8.8306125401\nO 16.4096580801 5.9215849496 10.5861960595\nN 17.2771069250 9.2827200639 11.1089513158\nN 17.5263441336 8.5725736535 12.8708565933\nO 17.7148740927 7.3783578909 12.8736418796\nO 17.3799328211 9.3889271792 13.7429356787\nC 18.4842595977 9.6367492256 10.4856442738\nN 19.5493129364 8.7280617670 9.8119553559\nN 19.5387868096 9.7001579009 8.5650971383\nN 20.6241222690 10.5533207979 9.2649173597\nN 19.5511553316 11.4533926298 9.9227208089\nN 19.5406847383 10.4804919021 11.1696722350\nN 20.6241653457 9.6259503559 10.4698403043\nC 18.4801549908 10.5487631595 9.2548295558\nN 17.2624376873 10.9375526939 8.6618165896\nN 17.1901258908 11.4254611298 6.9906902467\nO 16.3751147915 12.3002347384 6.8284199562\nO 17.8820321767 10.7766262765 6.2484558387\nN 16.4370781621 11.5536457976 9.4862684045\nN 16.7299014488 13.3858516680 10.0091793604\nO 16.1706517563 14.1848899209 9.3055253407\nO 17.4595099200 13.4631963374 10.9593140174\nN 15.1360867254 11.2182528482 9.4728907969\nN 14.4249505201 12.0062746901 10.1715847912\nN 15.2674224899 11.6041412377 12.9098082457\nO 16.0598947842 12.3460666630 13.4447435281\nO 14.5378256744 10.7232770179 13.3111676964\nN 13.1336141948 11.6108061959 10.5463300665\nN 12.4574429721 13.2053557564 9.1993920679\nO 12.5042531431 12.8992415868 8.0333101659\nO 12.2112955071 14.2164745862 9.8019827592\nN 12.7586487917 10.3668286436 10.4188506462\nN 10.5864809406 10.4110306330 11.4978736774\nO 9.5899279269 10.6414864019 10.8268366109\nO 10.6978767746 10.1224307630 12.6657283478\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.777E-02 0.000E+00\n\n total cpu time spent up to now is 7084.1 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 36.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 7098.5 secs\n\n total energy = -1655.77582251 Ry\n estimated scf accuracy < 0.03017391 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.13E-05, avg # of iterations = 1.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 7102.6 secs\n\n total energy = -1655.77396975 Ry\n estimated scf accuracy < 0.76871059 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.13E-05, avg # of iterations = 1.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 7106.9 secs\n\n total energy = -1655.77873334 Ry\n estimated scf accuracy < 0.00652498 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.43E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 7111.1 secs\n\n total energy = -1655.77863709 Ry\n estimated scf accuracy < 0.04741384 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.43E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 7115.3 secs\n\n total energy = -1655.77915496 Ry\n estimated scf accuracy < 0.00182693 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.82E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 7119.7 secs\n\n total energy = -1655.77913188 Ry\n estimated scf accuracy < 0.00323696 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.82E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 7124.0 secs\n\n total energy = -1655.77921157 Ry\n estimated scf accuracy < 0.00286328 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.82E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 7128.2 secs\n\n total energy = -1655.77924933 Ry\n estimated scf accuracy < 0.00003822 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.43E-08, avg # of iterations = 21.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 7136.0 secs\n\n total energy = -1655.77944085 Ry\n estimated scf accuracy < 0.00007823 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.43E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 7140.3 secs\n\n total energy = -1655.77942715 Ry\n estimated scf accuracy < 0.00010023 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.43E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 7144.7 secs\n\n total energy = -1655.77941172 Ry\n estimated scf accuracy < 0.00012155 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.43E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 7149.1 secs\n\n total energy = -1655.77941105 Ry\n estimated scf accuracy < 0.00001436 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.36E-09, avg # of iterations = 6.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 7153.6 secs\n\n total energy = -1655.77941269 Ry\n estimated scf accuracy < 0.00000314 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.17E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 7159.0 secs\n\n total energy = -1655.77941614 Ry\n estimated scf accuracy < 0.00000098 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.67E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 7164.3 secs\n\n total energy = -1655.77941706 Ry\n estimated scf accuracy < 0.00000083 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 7168.7 secs\n\n total energy = -1655.77941723 Ry\n estimated scf accuracy < 0.00000123 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 7173.1 secs\n\n total energy = -1655.77941714 Ry\n estimated scf accuracy < 0.00000152 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 7177.9 secs\n\n total energy = -1655.77941758 Ry\n estimated scf accuracy < 0.00000258 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 7182.3 secs\n\n total energy = -1655.77941740 Ry\n estimated scf accuracy < 0.00000256 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 7186.6 secs\n\n total energy = -1655.77941736 Ry\n estimated scf accuracy < 0.00000198 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 7191.0 secs\n\n total energy = -1655.77941714 Ry\n estimated scf accuracy < 0.00000189 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 7195.3 secs\n\n total energy = -1655.77941689 Ry\n estimated scf accuracy < 0.00000129 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 7199.8 secs\n\n total energy = -1655.77941702 Ry\n estimated scf accuracy < 0.00000032 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.20E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 7204.3 secs\n\n total energy = -1655.77941708 Ry\n estimated scf accuracy < 0.00000027 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.92E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 7208.7 secs\n\n total energy = -1655.77941710 Ry\n estimated scf accuracy < 0.00000044 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.92E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 7213.1 secs\n\n total energy = -1655.77941712 Ry\n estimated scf accuracy < 0.00000020 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.29E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 7217.4 secs\n\n total energy = -1655.77941715 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 7223.2 secs\n\n total energy = -1655.77941719 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7227.5 secs\n\n total energy = -1655.77941720 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.42E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7232.3 secs\n\n total energy = -1655.77941721 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.42E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7236.6 secs\n\n total energy = -1655.77941721 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.99E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7240.9 secs\n\n total energy = -1655.77941721 Ry\n estimated scf accuracy < 6.2E-09 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.32E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7245.6 secs\n\n total energy = -1655.77941722 Ry\n estimated scf accuracy < 2.8E-09 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.06E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 7250.5 secs\n\n total energy = -1655.77941722 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 35 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.39E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 7255.3 secs\n\n total energy = -1655.77941723 Ry\n estimated scf accuracy < 5.4E-10 Ry\n\n iteration # 36 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.02E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 7260.1 secs\n\n total energy = -1655.77941723 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 37 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.02E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 7264.4 secs\n\n total energy = -1655.77941723 Ry\n estimated scf accuracy < 2.7E-10 Ry\n\n iteration # 38 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 7268.3 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8845 -32.8411 -32.7963 -32.7314 -32.6706 -32.5312 -32.2343 -32.0402\n -32.0023 -31.9965 -30.6777 -29.7163 -29.3148 -29.0103 -28.9666 -28.9496\n -28.8961 -28.8576 -28.7795 -28.6768 -28.5114 -28.2002 -28.1634 -28.1130\n -27.5237 -26.8967 -25.6135 -24.7958 -24.3898 -24.0553 -22.8727 -22.0362\n -20.7478 -19.2469 -18.7110 -18.2636 -18.1081 -17.4597 -17.4068 -17.2904\n -17.1362 -16.9430 -16.6280 -16.5983 -16.5381 -16.4842 -16.4299 -16.4087\n -15.8089 -15.7424 -15.5295 -15.3399 -15.1962 -15.1076 -15.0124 -14.8816\n -14.7870 -14.7808 -14.6466 -14.6128 -14.5606 -14.4940 -14.4498 -14.3582\n -14.3030 -14.2826 -14.2444 -14.2421 -14.2013 -14.1593 -14.0726 -14.0408\n -14.0069 -13.8664 -13.8517 -13.8364 -13.8141 -13.7834 -13.7581 -13.7034\n -13.6430 -13.5453 -13.2587 -13.0569 -12.7335 -12.4237 -12.1650 -12.1113\n -11.8058 -11.5227 -11.4406 -11.3519 -10.9565 -10.7880 -10.4904 -10.0747\n -9.9292 -9.8187 -9.7475 -9.6915 -9.6326 -9.6251 -9.5807 -9.5587\n -9.5471 -9.4352 -9.3688 -9.3187 -9.2883 -9.2259 -9.1623 -9.1006\n -9.0325 -8.9736 -8.9384 -8.9252 -8.8480 -8.7065 -8.6833 -8.5908\n -8.5139 -8.2910 -8.1659 -8.1100 -7.7748 -7.6226 -7.3671 -7.2277\n -6.9853 -6.8495 -6.4147 -6.3550 -6.2806 -6.1047 -6.0841 -5.8660\n -5.5839 -4.9399 -4.7695 -4.7327 -4.3980 -4.1564 -4.1217 -4.0357\n -3.9884 -3.9206 -3.8164 -3.7141 -3.6888 -3.6305 -3.6161 -3.5194\n -3.4227 -3.1742 -3.0406 -2.8511 -2.4342 -2.2554 -0.7840 -0.4019\n -0.1653\n\n the Fermi energy is -6.0944 ev\n\n! total energy = -1655.77941726 Ry\n total all-electron energy = -6224.611765 Ry\n estimated scf accuracy < 1.6E-10 Ry\n smearing contrib. (-TS) = -0.00551562 Ry\n internal energy E=F+TS = -1655.77390164 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18417.33023021 Ry\n hartree contribution = 9241.56126745 Ry\n xc contribution = -312.79611589 Ry\n ewald contribution = 8260.76280200 Ry\n DFT-D3 Dispersion = -0.16584534 Ry\n one-center paw contrib. = -427.80577965 Ry\n\n convergence has been achieved in 38 iterations\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00078306 0.00161649 -0.00119148\n atom 2 type 1 force = -0.00055756 0.00053074 -0.00126317\n atom 3 type 2 force = 0.00010615 -0.00162155 -0.00066728\n atom 4 type 2 force = -0.00170719 -0.00032015 0.00128029\n atom 5 type 1 force = 0.00030052 0.00155641 0.00056338\n atom 6 type 1 force = -0.00029192 -0.00014123 -0.00225967\n atom 7 type 2 force = 0.00124894 0.00065533 -0.00080979\n atom 8 type 2 force = -0.00100674 -0.00150963 0.00172501\n atom 9 type 1 force = 0.00010264 -0.00058370 -0.00108920\n atom 10 type 1 force = 0.00031845 -0.00001457 -0.00354718\n atom 11 type 2 force = -0.00078614 0.00035165 0.00219178\n atom 12 type 2 force = -0.00043317 -0.00203256 0.00101641\n atom 13 type 1 force = 0.00026962 -0.00059506 0.00109209\n atom 14 type 1 force = -0.00079208 -0.00043146 0.00141043\n atom 15 type 1 force = 0.00116906 -0.00155865 -0.00163789\n atom 16 type 2 force = -0.00026603 -0.00058229 -0.00019472\n atom 17 type 2 force = -0.00054475 0.00071258 0.00096966\n atom 18 type 1 force = -0.00015902 -0.00034982 0.00064932\n atom 19 type 1 force = 0.00111280 -0.00158172 -0.00051557\n atom 20 type 2 force = -0.00094522 0.00043327 0.00004666\n atom 21 type 2 force = 0.00112066 0.00166279 -0.00036892\n atom 22 type 3 force = -0.00052994 -0.00037021 -0.00005269\n atom 23 type 1 force = 0.00147303 0.00085188 0.00071674\n atom 24 type 1 force = 0.00173218 -0.00132198 0.00123232\n atom 25 type 1 force = 0.00042933 0.00047129 -0.00010811\n atom 26 type 1 force = -0.00041091 -0.00086088 -0.00060889\n atom 27 type 1 force = 0.00021789 -0.00052865 -0.00058345\n atom 28 type 1 force = 0.00091550 0.00076095 -0.00003730\n atom 29 type 3 force = -0.00007929 -0.00120477 -0.00115652\n atom 30 type 1 force = -0.00083150 -0.00059832 -0.00107242\n atom 31 type 1 force = 0.00126954 0.00481152 0.00352186\n atom 32 type 2 force = -0.00009431 -0.00252994 -0.00042823\n atom 33 type 2 force = 0.00021260 0.00013980 -0.00013967\n atom 34 type 1 force = -0.00030187 0.00053422 -0.00044884\n atom 35 type 1 force = -0.00077237 0.00043075 -0.00050607\n atom 36 type 2 force = 0.00138793 -0.00065415 0.00006149\n atom 37 type 2 force = 0.00007578 0.00076483 -0.00039187\n atom 38 type 1 force = -0.00077479 0.00075578 -0.00085588\n atom 39 type 1 force = -0.00070858 0.00082316 -0.00053991\n atom 40 type 1 force = -0.00030027 -0.00025724 0.00040051\n atom 41 type 2 force = -0.00130436 0.00009457 0.00021870\n atom 42 type 2 force = 0.00076675 0.00016749 -0.00028556\n atom 43 type 1 force = -0.00044646 -0.00026873 0.00227977\n atom 44 type 1 force = -0.00050885 -0.00034404 -0.00137138\n atom 45 type 2 force = -0.00044484 -0.00012565 -0.00002835\n atom 46 type 2 force = 0.00049313 -0.00090055 0.00103540\n atom 47 type 1 force = -0.00230115 0.00121526 0.00019461\n atom 48 type 1 force = 0.00054589 0.00112765 0.00019743\n atom 49 type 2 force = 0.00024449 0.00096955 0.00121829\n atom 50 type 2 force = 0.00100336 -0.00015048 0.00013787\n\n Total force = 0.013235 Total SCF correction = 0.000031\n Energy error = 3.0E-04 Ry\n Gradient error = 4.8E-03 Ry/Bohr\n\n number of scf cycles = 98\n number of bfgs steps = 97\n\n energy old = -1655.7791197429 Ry\n energy new = -1655.7794172589 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.1109158515 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8163052438 9.5609776240 9.3916720177\nN 10.5798209361 9.6900979412 8.1696615431\nO 9.5913581200 9.0667951880 8.5237905955\nO 10.6985347741 10.6231284014 7.4085303416\nN 13.1958349310 8.3033580175 9.3369085152\nN 12.3951918213 6.9362803323 10.6454547021\nO 12.2507714565 7.3497665497 11.7715811150\nO 12.2231544392 5.8803878019 10.1025511343\nN 14.4903391881 7.9446245734 9.7574710317\nN 15.3616228357 8.2973752827 6.9755843648\nO 14.9753806816 9.4057547841 6.6467949019\nO 15.8058144273 7.3711993820 6.3311627882\nN 15.1723213987 8.8197191209 10.3777139058\nN 16.4960242328 8.5941895619 10.3102834619\nN 16.8965973750 6.7238558188 9.8126549904\nO 17.5551475419 6.6689948960 8.8113971742\nO 16.4387299202 5.9133735625 10.5713171146\nN 17.2805137562 9.2958050561 11.1035308542\nN 17.5360453171 8.5962996979 12.8705277499\nO 17.6948283475 7.3978959580 12.8809854521\nO 17.4098008970 9.4232506260 13.7365975010\nC 18.4856786715 9.6500221901 10.4779008646\nN 19.5514443963 8.7398400944 9.8087609266\nN 19.5384157069 9.7032200995 8.5575461043\nN 20.6244642900 10.5618384498 9.2493467005\nN 19.5509154425 11.4647356375 9.9035355424\nN 19.5420238858 10.4990919333 11.1567597373\nN 20.6262049743 9.6417771129 10.4606992738\nC 18.4794555559 10.5558920715 9.2430710450\nN 17.2584748569 10.9436990835 8.6535237457\nN 17.1692889709 11.4291457275 6.9923397270\nO 16.3228572893 12.2735127646 6.8287228754\nO 17.8874750000 10.8068964514 6.2505294359\nN 16.4324923783 11.5529823924 9.4838209419\nN 16.7219825071 13.3833593107 10.0071106988\nO 16.1638519276 14.1819692793 9.3017782475\nO 17.4479104400 13.4604113339 10.9600121397\nN 15.1326308085 11.2125953311 9.4732601747\nN 14.4208469558 11.9970136223 10.1752521920\nN 15.2669651987 11.6017905026 12.9106001743\nO 16.0493883969 12.3506131041 13.4499388639\nO 14.5505192599 10.7068683737 13.3046088605\nN 13.1302476860 11.6029873918 10.5511616204\nN 12.4516358124 13.2055329614 9.2098806031\nO 12.4890230252 12.8971888297 8.0441689154\nO 12.2153744277 14.2186295714 9.8132604979\nN 12.7504470515 10.3606343312 10.4220131943\nN 10.5877149885 10.4014501810 11.4995410348\nO 9.5900845326 10.6207988293 10.8271601622\nO 10.7007409654 10.1180511208 12.6683261779\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.766E-02 0.000E+00\n\n total cpu time spent up to now is 7278.4 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 36.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 7293.3 secs\n\n total energy = -1655.77876751 Ry\n estimated scf accuracy < 0.01332422 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.97E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 7297.4 secs\n\n total energy = -1655.77654787 Ry\n estimated scf accuracy < 0.39360064 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.97E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 7301.6 secs\n\n total energy = -1655.77921082 Ry\n estimated scf accuracy < 0.00553973 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.07E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 7305.7 secs\n\n total energy = -1655.77923509 Ry\n estimated scf accuracy < 0.00285353 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.06E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 7309.9 secs\n\n total energy = -1655.77940912 Ry\n estimated scf accuracy < 0.00039579 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.48E-07, avg # of iterations = 11.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 7314.9 secs\n\n total energy = -1655.77962078 Ry\n estimated scf accuracy < 0.00021456 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.01E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 7319.5 secs\n\n total energy = -1655.77966329 Ry\n estimated scf accuracy < 0.00005161 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.93E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 7324.5 secs\n\n total energy = -1655.77970004 Ry\n estimated scf accuracy < 0.00002800 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7329.3 secs\n\n total energy = -1655.77971001 Ry\n estimated scf accuracy < 0.00000504 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.88E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7334.7 secs\n\n total energy = -1655.77971445 Ry\n estimated scf accuracy < 0.00000209 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.81E-10, avg # of iterations = 13.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7339.8 secs\n\n total energy = -1655.77971559 Ry\n estimated scf accuracy < 0.00000096 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.59E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7344.7 secs\n\n total energy = -1655.77971606 Ry\n estimated scf accuracy < 0.00000043 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.59E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7349.7 secs\n\n total energy = -1655.77971628 Ry\n estimated scf accuracy < 0.00000079 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.59E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7354.0 secs\n\n total energy = -1655.77971630 Ry\n estimated scf accuracy < 0.00000061 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.59E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 7358.3 secs\n\n total energy = -1655.77971631 Ry\n estimated scf accuracy < 0.00000017 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.21E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 7362.7 secs\n\n total energy = -1655.77971633 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.07E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7368.0 secs\n\n total energy = -1655.77971638 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.40E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7372.4 secs\n\n total energy = -1655.77971638 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.31E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7376.9 secs\n\n total energy = -1655.77971637 Ry\n estimated scf accuracy < 8.2E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.05E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 7382.3 secs\n\n total energy = -1655.77971638 Ry\n estimated scf accuracy < 9.4E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.05E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 7386.7 secs\n\n total energy = -1655.77971637 Ry\n estimated scf accuracy < 3.0E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.12E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 7391.4 secs\n\n total energy = -1655.77971637 Ry\n estimated scf accuracy < 1.3E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.96E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 7396.4 secs\n\n total energy = -1655.77971637 Ry\n estimated scf accuracy < 5.0E-10 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.86E-13, avg # of iterations = 15.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 7402.0 secs\n\n total energy = -1655.77971637 Ry\n estimated scf accuracy < 6.2E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.86E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 7406.4 secs\n\n total energy = -1655.77971637 Ry\n estimated scf accuracy < 4.2E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.57E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 7410.7 secs\n\n total energy = -1655.77971637 Ry\n estimated scf accuracy < 5.4E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.57E-13, avg # of iterations = 1.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 7414.2 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8797 -32.8401 -32.8072 -32.7209 -32.6641 -32.5288 -32.2402 -32.0533\n -31.9972 -31.9866 -30.6791 -29.7180 -29.3136 -29.0164 -28.9876 -28.9378\n -28.8848 -28.8525 -28.7802 -28.6774 -28.5203 -28.1919 -28.1661 -28.1092\n -27.5255 -26.8970 -25.6144 -24.7985 -24.3899 -24.0601 -22.8784 -22.0420\n -20.7513 -19.2537 -18.7084 -18.2831 -18.1366 -17.4621 -17.4048 -17.2704\n -17.1334 -16.9401 -16.6309 -16.6013 -16.5413 -16.4813 -16.4285 -16.4054\n -15.8136 -15.7448 -15.5315 -15.3383 -15.2000 -15.1086 -15.0099 -14.8832\n -14.7884 -14.7797 -14.6517 -14.6156 -14.5590 -14.4876 -14.4477 -14.3560\n -14.3070 -14.2867 -14.2500 -14.2380 -14.1931 -14.1589 -14.0791 -14.0462\n -14.0107 -13.8737 -13.8462 -13.8336 -13.8205 -13.7733 -13.7615 -13.6957\n -13.6407 -13.5407 -13.2651 -13.0568 -12.7313 -12.4218 -12.1683 -12.1169\n -11.8018 -11.5259 -11.4430 -11.3542 -10.9559 -10.7887 -10.4818 -10.0801\n -9.9257 -9.8166 -9.7452 -9.6901 -9.6282 -9.6259 -9.5727 -9.5623\n -9.5518 -9.4411 -9.3701 -9.3205 -9.2835 -9.2273 -9.1669 -9.0940\n -9.0324 -8.9704 -8.9421 -8.9289 -8.8541 -8.7009 -8.6812 -8.5898\n -8.5103 -8.2892 -8.1692 -8.1121 -7.7738 -7.6271 -7.3696 -7.2272\n -6.9821 -6.8492 -6.4223 -6.3494 -6.2727 -6.1026 -6.0809 -5.8601\n -5.5854 -4.9476 -4.7930 -4.7373 -4.3843 -4.1525 -4.1237 -4.0335\n -3.9841 -3.9167 -3.8132 -3.7161 -3.6888 -3.6281 -3.6111 -3.5122\n -3.4219 -3.1572 -3.0380 -2.8496 -2.4380 -2.2424 -0.7756 -0.4014\n -0.1654\n\n the Fermi energy is -6.0918 ev\n\n! total energy = -1655.77971636 Ry\n total all-electron energy = -6224.612064 Ry\n estimated scf accuracy < 7.5E-11 Ry\n smearing contrib. (-TS) = -0.00550309 Ry\n internal energy E=F+TS = -1655.77421327 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18422.31795678 Ry\n hartree contribution = 9244.05310303 Ry\n xc contribution = -312.79779081 Ry\n ewald contribution = 8263.25980105 Ry\n DFT-D3 Dispersion = -0.16606072 Ry\n one-center paw contrib. = -427.80530904 Ry\n\n convergence has been achieved in 27 iterations\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00013720 0.00209834 -0.00172896\n atom 2 type 1 force = -0.00077419 -0.00005194 -0.00070467\n atom 3 type 2 force = 0.00030108 -0.00176945 -0.00109960\n atom 4 type 2 force = -0.00131264 0.00030496 0.00072795\n atom 5 type 1 force = -0.00077897 0.00122643 0.00093520\n atom 6 type 1 force = 0.00081461 -0.00072690 -0.00163321\n atom 7 type 2 force = 0.00108195 0.00126819 -0.00135349\n atom 8 type 2 force = -0.00141965 -0.00159001 0.00128012\n atom 9 type 1 force = 0.00032584 -0.00046781 -0.00054079\n atom 10 type 1 force = 0.00002657 0.00060966 -0.00340906\n atom 11 type 2 force = -0.00086938 0.00003631 0.00220483\n atom 12 type 2 force = -0.00027248 -0.00262660 0.00070015\n atom 13 type 1 force = 0.00140285 -0.00129570 0.00061066\n atom 14 type 1 force = 0.00057206 -0.00119247 0.00178389\n atom 15 type 1 force = -0.00108522 0.00066416 -0.00164553\n atom 16 type 2 force = 0.00069787 -0.00127160 -0.00038137\n atom 17 type 2 force = 0.00000354 0.00040586 0.00122803\n atom 18 type 1 force = -0.00040802 -0.00053300 0.00147091\n atom 19 type 1 force = -0.00049427 -0.00050039 -0.00012127\n atom 20 type 2 force = -0.00063449 0.00063051 0.00039703\n atom 21 type 2 force = 0.00193821 0.00022675 -0.00117224\n atom 22 type 3 force = -0.00045277 0.00004275 -0.00024703\n atom 23 type 1 force = 0.00088672 0.00017128 0.00105614\n atom 24 type 1 force = 0.00177957 -0.00110472 -0.00011900\n atom 25 type 1 force = 0.00031117 0.00046806 0.00060755\n atom 26 type 1 force = -0.00026823 -0.00080362 -0.00028796\n atom 27 type 1 force = 0.00004810 -0.00032636 -0.00085699\n atom 28 type 1 force = 0.00027824 0.00060604 -0.00009277\n atom 29 type 3 force = 0.00007621 -0.00088593 -0.00158658\n atom 30 type 1 force = -0.00152103 -0.00007242 -0.00073243\n atom 31 type 1 force = 0.00274126 0.00374667 0.00227430\n atom 32 type 2 force = 0.00091813 -0.00301358 -0.00014951\n atom 33 type 2 force = -0.00117612 0.00148296 0.00066835\n atom 34 type 1 force = -0.00024491 0.00003526 -0.00041381\n atom 35 type 1 force = -0.00144735 0.00000463 -0.00069016\n atom 36 type 2 force = 0.00177752 -0.00068819 0.00031591\n atom 37 type 2 force = 0.00021026 0.00109580 -0.00045008\n atom 38 type 1 force = -0.00106042 0.00067658 -0.00052892\n atom 39 type 1 force = -0.00064504 0.00152952 -0.00084819\n atom 40 type 1 force = -0.00066652 -0.00038470 -0.00049911\n atom 41 type 2 force = -0.00114270 0.00023570 0.00072558\n atom 42 type 2 force = 0.00089949 0.00022930 0.00012751\n atom 43 type 1 force = -0.00068830 -0.00030333 0.00294156\n atom 44 type 1 force = -0.00014536 -0.00061525 -0.00105397\n atom 45 type 2 force = -0.00047954 0.00013099 -0.00035383\n atom 46 type 2 force = 0.00045847 -0.00106727 0.00087925\n atom 47 type 1 force = -0.00100606 0.00117637 0.00010316\n atom 48 type 1 force = 0.00026409 0.00045350 0.00025725\n atom 49 type 2 force = 0.00057369 0.00170510 0.00106883\n atom 50 type 2 force = 0.00074338 0.00002953 0.00033636\n\n Total force = 0.013389 Total SCF correction = 0.000022\n Energy error = 3.0E-04 Ry\n Gradient error = 3.7E-03 Ry/Bohr\n\n number of scf cycles = 99\n number of bfgs steps = 98\n\n energy old = -1655.7794172589 Ry\n energy new = -1655.7797163648 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0552216542 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8235487766 9.5629154869 9.3911716047\nN 10.5808452007 9.6825950892 8.1733413109\nO 9.5925126793 9.0588890542 8.5287466243\nO 10.6966116295 10.6203863867 7.4183499458\nN 13.2025741927 8.3061097548 9.3357465652\nN 12.3909878980 6.9383491651 10.6446213085\nO 12.2608872902 7.3477506796 11.7744844604\nO 12.2206870773 5.8796996435 10.1060722498\nN 14.4943705956 7.9442634215 9.7572166127\nN 15.3627558198 8.2880428217 6.9782038207\nO 14.9833430525 9.3997758754 6.6582908784\nO 15.7953037679 7.3605405485 6.3303448718\nN 15.1744163304 8.8183068723 10.3829411234\nN 16.4974080850 8.5959215090 10.3141951443\nN 16.9083231349 6.7165625588 9.8069855399\nO 17.5580160996 6.6691638562 8.8012471492\nO 16.4524307897 5.9029004960 10.5632448186\nN 17.2818143628 9.3030371830 11.1017009668\nN 17.5463225725 8.6087076348 12.8689795128\nO 17.6841478984 7.4095176892 12.8832159685\nO 17.4329057201 9.4403087041 13.7312015028\nC 18.4858285211 9.6570877943 10.4743581809\nN 19.5540233156 8.7453892427 9.8122652361\nN 19.5393777200 9.6978995980 8.5556096073\nN 20.6250370176 10.5635538914 9.2393634631\nN 19.5502602787 11.4689696242 9.8878750198\nN 19.5423270329 10.5122589394 11.1482447746\nN 20.6279878473 9.6519915451 10.4579457727\nC 18.4789116521 10.5558775298 9.2348932483\nN 17.2552024842 10.9453285270 8.6482859300\nN 17.1641699170 11.4320002182 7.0029893056\nO 16.3090536831 12.2582715809 6.8364090938\nO 17.8890977795 10.8271596057 6.2601376298\nN 16.4299364042 11.5516844851 9.4838169622\nN 16.7201396684 13.3815079473 10.0036990972\nO 16.1638388319 14.1793111144 9.2965089303\nO 17.4434958309 13.4588396903 10.9582713708\nN 15.1293135403 11.2100453635 9.4718670164\nN 14.4173014764 11.9914711226 10.1767615817\nN 15.2656909390 11.5989556019 12.9118586793\nO 16.0379479272 12.3553080246 13.4543551988\nO 14.5567633913 10.6977288456 13.3015119089\nN 13.1257476621 11.6018813021 10.5533287527\nN 12.4425418060 13.2047400248 9.2148145603\nO 12.4731439683 12.8921231491 8.0505266541\nO 12.2122614369 14.2195257153 9.8171060010\nN 12.7382946352 10.3619785972 10.4210378192\nN 10.5892103542 10.4019278701 11.5001342402\nO 9.5901959076 10.6126950727 10.8290762244\nO 10.7053790412 10.1164218052 12.6674474943\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 7424.3 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 27.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 7436.4 secs\n\n total energy = -1655.77863251 Ry\n estimated scf accuracy < 0.00854362 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.19E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 7440.5 secs\n\n total energy = -1655.77705146 Ry\n estimated scf accuracy < 0.33285247 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.19E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 7444.6 secs\n\n total energy = -1655.77942336 Ry\n estimated scf accuracy < 0.00156942 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.86E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 7448.9 secs\n\n total energy = -1655.77944742 Ry\n estimated scf accuracy < 0.00115364 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.30E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 7453.1 secs\n\n total energy = -1655.77953993 Ry\n estimated scf accuracy < 0.00047909 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.79E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.774E-02 0.000E+00\n\n total cpu time spent up to now is 7457.9 secs\n\n total energy = -1655.77975191 Ry\n estimated scf accuracy < 0.00013335 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.98E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.777E-02 0.000E+00\n\n total cpu time spent up to now is 7462.7 secs\n\n total energy = -1655.77981477 Ry\n estimated scf accuracy < 0.00004557 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.70E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 7467.5 secs\n\n total energy = -1655.77982975 Ry\n estimated scf accuracy < 0.00003828 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.43E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.781E-02 0.000E+00\n\n total cpu time spent up to now is 7471.9 secs\n\n total energy = -1655.77983232 Ry\n estimated scf accuracy < 0.00000642 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.40E-09, avg # of iterations = 16.0\n\n negative rho (up, down): 2.781E-02 0.000E+00\n\n total cpu time spent up to now is 7477.9 secs\n\n total energy = -1655.77984146 Ry\n estimated scf accuracy < 0.00000612 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.28E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.781E-02 0.000E+00\n\n total cpu time spent up to now is 7482.2 secs\n\n total energy = -1655.77984172 Ry\n estimated scf accuracy < 0.00000150 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.60E-10, avg # of iterations = 15.0\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 7487.5 secs\n\n total energy = -1655.77984292 Ry\n estimated scf accuracy < 0.00000086 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.20E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 7492.1 secs\n\n total energy = -1655.77984300 Ry\n estimated scf accuracy < 0.00000033 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.22E-10, avg # of iterations = 12.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 7497.3 secs\n\n total energy = -1655.77984321 Ry\n estimated scf accuracy < 0.00000039 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.22E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 7501.6 secs\n\n total energy = -1655.77984320 Ry\n estimated scf accuracy < 0.00000011 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.27E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 7506.5 secs\n\n total energy = -1655.77984322 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.17E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 7511.0 secs\n\n total energy = -1655.77984317 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.03E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 7515.7 secs\n\n total energy = -1655.77984316 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.42E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 7520.2 secs\n\n total energy = -1655.77984312 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.11E-12, avg # of iterations = 13.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 7525.4 secs\n\n total energy = -1655.77984311 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.17E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 7529.7 secs\n\n total energy = -1655.77984309 Ry\n estimated scf accuracy < 4.3E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.61E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 7534.7 secs\n\n total energy = -1655.77984308 Ry\n estimated scf accuracy < 3.4E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.27E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 7539.2 secs\n\n total energy = -1655.77984308 Ry\n estimated scf accuracy < 7.3E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.27E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 7543.6 secs\n\n total energy = -1655.77984306 Ry\n estimated scf accuracy < 1.0E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.90E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 7548.6 secs\n\n total energy = -1655.77984306 Ry\n estimated scf accuracy < 8.9E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.31E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 7553.0 secs\n\n total energy = -1655.77984306 Ry\n estimated scf accuracy < 7.0E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.59E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7557.5 secs\n\n total energy = -1655.77984305 Ry\n estimated scf accuracy < 4.0E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.49E-13, avg # of iterations = 13.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 7561.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9987 -32.8629 -32.8289 -32.7496 -32.6438 -32.5331 -32.2542 -32.0866\n -32.0368 -31.9705 -30.6804 -29.7114 -29.3078 -29.0274 -29.0167 -29.0056\n -28.8764 -28.8560 -28.7870 -28.6748 -28.5321 -28.2340 -28.1888 -28.0952\n -27.5222 -26.8928 -25.6116 -24.7994 -24.3895 -24.0581 -22.8790 -22.0459\n -20.7517 -19.2594 -18.7024 -18.3171 -18.1672 -17.4625 -17.4008 -17.2482\n -17.1209 -16.9313 -16.6289 -16.5957 -16.5446 -16.4854 -16.4240 -16.3928\n -15.8127 -15.7488 -15.5320 -15.3489 -15.2028 -15.1169 -15.0223 -14.8873\n -14.8352 -14.7752 -14.6689 -14.6285 -14.5627 -14.4716 -14.4569 -14.3576\n -14.3108 -14.2968 -14.2587 -14.2225 -14.1937 -14.1588 -14.0887 -14.0468\n -14.0178 -13.8920 -13.8647 -13.8582 -13.8380 -13.7739 -13.7549 -13.6868\n -13.6395 -13.5623 -13.2678 -13.0590 -12.7317 -12.4191 -12.1728 -12.1178\n -11.7982 -11.5267 -11.4444 -11.3565 -10.9522 -10.7881 -10.4731 -10.0841\n -9.9181 -9.8120 -9.7442 -9.6911 -9.6291 -9.6122 -9.5754 -9.5676\n -9.5533 -9.4434 -9.3698 -9.3220 -9.2988 -9.2310 -9.1741 -9.0822\n -9.0289 -8.9662 -8.9472 -8.9280 -8.8541 -8.7151 -8.6819 -8.5914\n -8.5039 -8.2806 -8.1707 -8.1124 -7.7660 -7.6312 -7.3697 -7.2248\n -6.9781 -6.8498 -6.4290 -6.3400 -6.2595 -6.0921 -6.0700 -5.8493\n -5.5835 -4.9504 -4.8229 -4.7374 -4.3494 -4.1376 -4.1169 -4.0185\n -3.9520 -3.9007 -3.8040 -3.7044 -3.6845 -3.6221 -3.6067 -3.4993\n -3.4159 -3.1287 -3.0257 -2.8403 -2.4347 -2.2120 -0.7617 -0.3984\n -0.1614\n\n the Fermi energy is -6.0810 ev\n\n! total energy = -1655.77984302 Ry\n total all-electron energy = -6224.612191 Ry\n estimated scf accuracy < 2.7E-10 Ry\n smearing contrib. (-TS) = -0.00549731 Ry\n internal energy E=F+TS = -1655.77434572 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18426.15964127 Ry\n hartree contribution = 9245.95655895 Ry\n xc contribution = -312.83721693 Ry\n ewald contribution = 8265.23655046 Ry\n DFT-D3 Dispersion = -0.16621667 Ry\n one-center paw contrib. = -427.80438026 Ry\n\n convergence has been achieved in 28 iterations\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00120572 0.00198021 -0.00145144\n atom 2 type 1 force = -0.00065703 -0.00109950 0.00055949\n atom 3 type 2 force = 0.00005027 -0.00178784 -0.00143768\n atom 4 type 2 force = -0.00028619 0.00152012 -0.00060504\n atom 5 type 1 force = -0.00201560 0.00015572 0.00095602\n atom 6 type 1 force = 0.00229870 -0.00157785 -0.00022879\n atom 7 type 2 force = 0.00059971 0.00200204 -0.00194853\n atom 8 type 2 force = -0.00177215 -0.00110481 0.00025496\n atom 9 type 1 force = 0.00015394 -0.00043832 0.00004431\n atom 10 type 1 force = -0.00020557 -0.00005534 0.00039800\n atom 11 type 2 force = -0.00170456 0.00283720 0.00063248\n atom 12 type 2 force = 0.00079313 -0.00482057 -0.00153288\n atom 13 type 1 force = 0.00219654 -0.00151332 0.00001962\n atom 14 type 1 force = 0.00184591 -0.00222423 0.00107076\n atom 15 type 1 force = -0.00480893 0.00262789 0.00111041\n atom 16 type 2 force = 0.00304739 -0.00162499 -0.00289967\n atom 17 type 2 force = 0.00052773 0.00033169 0.00125593\n atom 18 type 1 force = 0.00049855 -0.00035072 0.00260400\n atom 19 type 1 force = -0.00255838 0.00209970 -0.00181874\n atom 20 type 2 force = 0.00039673 -0.00413946 0.00020919\n atom 21 type 2 force = 0.00227851 0.00236178 0.00099916\n atom 22 type 3 force = 0.00002324 0.00079697 -0.00041453\n atom 23 type 1 force = -0.00005754 -0.00093238 0.00114964\n atom 24 type 1 force = 0.00114924 -0.00053738 -0.00178588\n atom 25 type 1 force = -0.00000995 0.00024860 0.00108041\n atom 26 type 1 force = 0.00007173 -0.00049840 0.00014686\n atom 27 type 1 force = -0.00004914 0.00003309 -0.00081838\n atom 28 type 1 force = -0.00053601 0.00033142 -0.00020424\n atom 29 type 3 force = -0.00011572 -0.00077193 -0.00078432\n atom 30 type 1 force = -0.00007194 -0.00080150 -0.00028556\n atom 31 type 1 force = 0.00492326 -0.00076421 0.00831314\n atom 32 type 2 force = -0.01289784 0.01090047 -0.00039832\n atom 33 type 2 force = 0.00994836 -0.00754560 -0.00649580\n atom 34 type 1 force = -0.00094232 -0.00026970 -0.00005895\n atom 35 type 1 force = -0.00174134 -0.00085012 -0.00058273\n atom 36 type 2 force = 0.00139961 -0.00013170 -0.00011270\n atom 37 type 2 force = 0.00059031 0.00113567 -0.00006664\n atom 38 type 1 force = -0.00122230 0.00056779 0.00022774\n atom 39 type 1 force = -0.00028001 0.00251274 -0.00114066\n atom 40 type 1 force = 0.00018844 0.00112887 -0.00245873\n atom 41 type 2 force = -0.00021052 0.00110324 0.00145301\n atom 42 type 2 force = -0.00088135 -0.00213143 0.00130518\n atom 43 type 1 force = -0.00063351 -0.00006418 0.00309666\n atom 44 type 1 force = 0.00071470 -0.00149319 0.00000269\n atom 45 type 2 force = -0.00047761 0.00026171 -0.00151627\n atom 46 type 2 force = 0.00019951 -0.00027030 0.00100899\n atom 47 type 1 force = 0.00101224 0.00079834 -0.00026548\n atom 48 type 1 force = 0.00036372 -0.00086726 0.00011537\n atom 49 type 2 force = -0.00012537 0.00281182 -0.00035363\n atom 50 type 2 force = 0.00019515 0.00011913 0.00165155\n\n Total force = 0.029278 Total SCF correction = 0.000037\n Energy error = 1.3E-04 Ry\n Gradient error = 1.3E-02 Ry/Bohr\n\n number of scf cycles = 100\n number of bfgs steps = 99\n\n energy old = -1655.7797163648 Ry\n energy new = -1655.7798430244 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0607438196 bohr\n\n The maximum number of steps has been reached.\n\n End of BFGS Geometry Optimization\n\nATOMIC_POSITIONS (angstrom)\nN 12.8253513874 9.5590389534 9.3940037908\nN 10.5818761937 9.6755258917 8.1752178031\nO 9.5935341573 9.0525374245 8.5322992380\nO 10.6971128099 10.6128566511 7.4192525236\nN 13.2048000005 8.3018592613 9.3414721845\nN 12.3900204868 6.9360088531 10.6482566310\nO 12.2625485336 7.3431052891 11.7793670837\nO 12.2188442675 5.8777065910 10.1091254211\nN 14.4968718251 7.9410944463 9.7623339656\nN 15.3648699045 8.2798222743 6.9836551635\nO 14.9945837326 9.3971251551 6.6698068131\nO 15.7882457439 7.3503657365 6.3322713908\nN 15.1767360163 8.8172710634 10.3860871398\nN 16.4996686900 8.5980511906 10.3154030757\nN 16.9175150239 6.7188630133 9.8007793304\nO 17.5625873190 6.6785827422 8.7914749781\nO 16.4681254166 5.8999959789 10.5564782343\nN 17.2838846296 9.3090678726 11.0992900599\nN 17.5502376338 8.6211898036 12.8681299056\nO 17.6720793370 7.4193027068 12.8870217556\nO 17.4491951020 9.4591915010 13.7270660236\nC 18.4868356201 9.6637316450 10.4699492637\nN 19.5555240477 8.7511492493 9.8103099410\nN 19.5403782019 9.6996435702 8.5511635001\nN 20.6259000770 10.5679536092 9.2322025972\nN 19.5507699807 11.4743411953 9.8785366058\nN 19.5433916658 10.5210938196 11.1414744686\nN 20.6293172856 9.6594767741 10.4532907490\nC 18.4791213752 10.5595163562 9.2283522368\nN 17.2533029810 10.9486148452 8.6437902717\nN 17.1543749653 11.4344117945 7.0038979872\nO 16.2801658670 12.2441749811 6.8362289670\nO 17.8936583156 10.8437136446 6.2606226392\nN 16.4274043434 11.5507697475 9.4823924689\nN 16.7152213821 13.3792654522 10.0025211392\nO 16.1602187591 14.1772724248 9.2946174051\nO 17.4379351520 13.4568654726 10.9575599490\nN 15.1270420818 11.2066198366 9.4718713950\nN 14.4149800522 11.9867684352 10.1780608679\nN 15.2648141984 11.5979502929 12.9116978247\nO 16.0317089910 12.3574885972 13.4576163007\nO 14.5633428745 10.6883713574 13.2977762586\nN 13.1238808575 11.5976604085 10.5566599213\nN 12.4401610717 13.2049039411 9.2201639895\nO 12.4659096806 12.8923914700 8.0556779593\nO 12.2153543913 14.2202516231 9.8239415211\nN 12.7341316303 10.3589953981 10.4229392534\nN 10.5905145737 10.3966788019 11.5007748599\nO 9.5911323777 10.6026805896 10.8291494044\nO 10.7075120323 10.1143605259 12.6687694758\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n Writing all to output data dir ./tmp/calc.save/ :\n XML data file, charge density, pseudopotentials, collected wavefunctions\n \n init_run : 7.52s CPU 9.41s WALL ( 1 calls)\n electrons : 6884.12s CPU 7067.39s WALL ( 50 calls)\n update_pot : 111.67s CPU 111.75s WALL ( 50 calls)\n forces : 274.35s CPU 274.63s WALL ( 50 calls)\n force_dftd3 : 0.33s CPU 0.34s WALL ( 50 calls)\n\n Called by init_run:\n wfcinit : 0.48s CPU 0.70s WALL ( 1 calls)\n potinit : 1.79s CPU 2.19s WALL ( 1 calls)\n hinit0 : 3.48s CPU 3.99s WALL ( 1 calls)\n\n Called by electrons:\n c_bands : 1882.26s CPU 1884.73s WALL ( 1441 calls)\n sum_band : 647.99s CPU 649.24s WALL ( 1441 calls)\n v_of_rho : 224.49s CPU 225.34s WALL ( 1492 calls)\n newd : 735.81s CPU 736.51s WALL ( 1492 calls)\n PAW_pot : 1086.92s CPU 1087.17s WALL ( 1542 calls)\n mix_rho : 1000.78s CPU 1009.45s WALL ( 1441 calls)\n energy_dftd3 : 0.16s CPU 0.16s WALL ( 50 calls)\n\n Called by c_bands:\n init_us_2 : 24.63s CPU 24.72s WALL ( 2982 calls)\n regterg : 1809.06s CPU 1811.24s WALL ( 1484 calls)\n\n Called by *egterg:\n rdiaghg : 54.91s CPU 55.04s WALL ( 11594 calls)\n h_psi : 1353.72s CPU 1355.31s WALL ( 11678 calls)\n s_psi : 10.25s CPU 10.28s WALL ( 11678 calls)\n g_psi : 6.98s CPU 6.99s WALL ( 10194 calls)\n\n Called by h_psi:\n h_psi:calbec : 2.30s CPU 2.38s WALL ( 11678 calls)\n vloc_psi : 1209.82s CPU 1210.88s WALL ( 11678 calls)\n add_vuspsi : 71.24s CPU 71.63s WALL ( 11678 calls)\n\n General routines\n calbec : 2.35s CPU 2.43s WALL ( 13369 calls)\n fft : 757.14s CPU 757.13s WALL ( 16862 calls)\n ffts : 402.91s CPU 403.17s WALL ( 174026 calls)\n fftw : 1069.91s CPU 1070.47s WALL ( 183315 calls)\n interpolate : 1105.58s CPU 1268.39s WALL ( 1492 calls)\n davcio : 0.00s CPU 0.21s WALL ( 1 calls)\n \n \n PWSCF : 2h 3m CPU 2h 6m WALL\n\n \n This run was terminated on: 8:39:38 17Aug2026 \n\n=------------------------------------------------------------------------------=\n JOB DONE.\n=------------------------------------------------------------------------------=\n","output_type":"stream"}],"execution_count":17},{"cell_type":"markdown","source":"Runs D3hess.x to generate information for ph.x","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > run_qe.sh << 'EOF'\n#!/bin/bash\nexport CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\nexec /kaggle/working/q-e-qe-7.6/bin/d3hess.x -nb 4 -in d3hess.in > d3hess.out\nEOF\nchmod +x run_qe.sh\n\nmpirun --allow-run-as-root -np 2 \\\n --bind-to none \\\n ./run_qe.sh || true","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Runs phonon calculations once phonpy has made the supercells.","metadata":{}},{"cell_type":"code","source":"import glob\nimport os\nimport re\n\n# 1. Sort all supercell files numerically\nall_files = glob.glob('supercell-*.in')\nall_files.sort(key=lambda f: int(re.sub(r'\\D', '', f)))\n\n# 2. Filter list to stop at 90\ntarget_files = []\nfor f in all_files:\n match = re.search(r'-(\\d+)\\.', f)\n if match and int(match.group(1)) <= 90:\n target_files.append(f)\n\n# 3. Create the parallel worker script\n# Rank 0 processes indices 0, 2, 4... Rank 1 processes indices 1, 3, 5...\nwith open(\"run_parallel.sh\", \"w\") as f:\n f.write(\"#!/bin/bash\\n\")\n f.write(\"export CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\\n\")\n f.write(\"RANK=${OMPI_COMM_WORLD_LOCAL_RANK}\\n\")\n f.write(\"SIZE=${OMPI_COMM_WORLD_LOCAL_SIZE}\\n\")\n f.write(\"FILES=(\\\"$@\\\")\\n\\n\")\n \n f.write(\"for (( i=$RANK; i<${#FILES[@]}; i+=$SIZE )); do\\n\")\n f.write(\" IN_FILE=${FILES[$i]}\\n\")\n f.write(\" OUT_FILE=\\\"${IN_FILE%.in}.out\\\"\\n\")\n \n # Skip if output already exists and isn't empty\n f.write(\" if [ -s \\\"$OUT_FILE\\\" ]; then\\n\")\n f.write(\" echo \\\"Rank $RANK: Skipping $IN_FILE (already done)\\\"\\n\")\n f.write(\" continue\\n\")\n f.write(\" fi\\n\\n\")\n \n # Isolated work directory to prevent GPU scratch-file collisions\n f.write(\" WORKDIR=\\\"work_rank_${RANK}_idx_${i}\\\"\\n\")\n f.write(\" mkdir -p $WORKDIR && cp $IN_FILE $WORKDIR/in.in\\n\")\n \n f.write(\" echo \\\"Rank $RANK: Starting $IN_FILE on GPU $RANK\\\"\\n\")\n # Execute pw.x\n f.write(\" /kaggle/working/q-e-qe-7.6/bin/pw.x -in $WORKDIR/in.in > $OUT_FILE\\n\")\n \n f.write(\" rm -rf $WORKDIR\\n\")\n f.write(\"done\\n\")\n\n!chmod +x run_parallel.sh\n\n# 4. Launch the two workers\nfiles_str = \" \".join(target_files)\n!mpirun --allow-run-as-root -np 2 --bind-to none ./run_parallel.sh {files_str}","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"## 6.(Optional) In case .in files not present and only .xyz file available ","metadata":{}},{"cell_type":"markdown","source":"Run this if you have .in files and need ld1.x to run to create a .upf file.","metadata":{}},{"cell_type":"code","source":"'''!cd /kaggle/working/q-e-qe-7.6/bin\n!make ld1 -j2'''\n!cd /kaggle/input/datasets/pcsciprav/actinide-basis-set-rel/fully-relativistic-basis\n!../q-e-qe-7.2/bin/ld1.x < /kaggle/input/datasets/pcsciprav/actinide-basis-set-rel/fully-relativistic-basis/pu.in > pu.out\n# Change the .in and .out file names to match the input .in file name. Use the same .out name.","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Change the link to any pseudopotential file as an alternative to ld1.","metadata":{}},{"cell_type":"code","source":"!wget https://pseudopotentials.quantum-espresso.org/upf_files/V.pbe-spnl-kjpaw_psl.1.0.0.UPF\n#!wget https://pseudopotentials.quantum-espresso.org/upf_files/N.rel-pz-n-kjpaw_psl.1.0.0.UPF\n#!wget https://pseudopotentials.quantum-espresso.org/upf_files/F.rel-pbe-n-kjpaw_psl.0.1.UPF","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Run this snippet first and ensure persistence is set to files or variables and files.","metadata":{}},{"cell_type":"code","source":"import os\nimport shutil\nimport requests\n\nPSEUDO_DIR = \"pseudo\"\nos.makedirs(PSEUDO_DIR, exist_ok=True)\nBASE_URL = \"https://pseudopotentials.quantum-espresso.org/upf_files/\"\n\nmanual_pseudos = {\n #'V': '/kaggle/working/q-e-qe-7.5/V.pbe-spnl-kjpaw_psl.1.0.0.UPF'\n}\n\nmasses = {\n 'U': 238.03,\n 'Pu': 244.06,\n 'Au': 196.966570,\n 'Fr': 223,\n 'Cs': 132.91,\n 'N': 14.007,\n 'Nd': 144.242,\n 'Tc': 97.907,\n 'As': 74.9216,\n 'O': 16,\n 'C': 12,\n 'Os': 190.23,\n 'Pt': 198.9705762,\n 'Hg': 200.59,\n 'F': 18.998\n}\n\nhubbard_u = {\n #'U': 3.0\n}\n\ndef find_pseudo(element):\n return [\n f\"{element}.pbe-spn-kjpaw_psl.1.0.0.UPF\",\n f\"{element}.pbe-n-kjpaw_psl.1.0.0.UPF\",\n f\"{element}.pbe-kjpaw_psl.1.0.0.UPF\",\n ]\n\ndef try_download(element):\n for name in find_pseudo(element):\n path = os.path.join(PSEUDO_DIR, name)\n\n if os.path.exists(path):\n print(f\"Using existing pseudo: {path}\")\n return name\n\n url = BASE_URL + name\n try:\n r = requests.get(url, timeout=30)\n if r.status_code == 200 and len(r.content) > 0:\n with open(path, \"wb\") as f:\n f.write(r.content)\n print(f\"Downloaded {name}\")\n return name\n except Exception as e:\n print(f\"Could not download {name}: {e}\")\n\n return None\n\ndef install_manual_pseudo(element):\n src = manual_pseudos[element]\n if not os.path.exists(src):\n raise FileNotFoundError(f\"Manual pseudopotential for {element} not found: {src}\")\n\n filename = os.path.basename(src)\n dst = os.path.join(PSEUDO_DIR, filename)\n\n if not os.path.exists(dst):\n shutil.copyfile(src, dst)\n print(f\"Copied manual pseudo for {element} to {dst}\")\n else:\n print(f\"Using existing copied pseudo for {element}: {dst}\")\n\n return filename\n\ndef download_pseudo(element):\n if element in manual_pseudos:\n return install_manual_pseudo(element)\n\n result = try_download(element)\n if result:\n return result\n\n raise Exception(f\"No pseudopotential found for {element}\")\n\ndef xyz_to_qe(xyz_file, output=\"input.in\"):\n with open(xyz_file, \"r\", encoding=\"utf-8\") as f:\n lines = f.readlines()\n\n nat = int(lines[0].strip())\n coords = lines[2:2 + nat]\n\n atoms = []\n species_ordered = []\n\n for line in coords:\n parts = line.split()\n if len(parts) < 4:\n raise ValueError(f\"Invalid XYZ line: {line!r}\")\n el, x, y, z = parts[:4]\n x = float(x) + 10.0\n y = float(y) + 10.0\n z = float(z) + 10.0\n atoms.append((el, x, y, z))\n if el not in species_ordered:\n species_ordered.append(el)\n\n pseudo_map = {}\n for el in species_ordered:\n pseudo_map[el] = download_pseudo(el)\n\n with open(output, \"w\", encoding=\"ascii\", newline=\"\\n\") as f:\n # CONTROL\n f.write(\"&CONTROL\\n\")\n f.write(\" calculation = 'relax'\\n\") # Either keep it as relax or scf\n f.write(\" restart_mode='restart'\\n\")\n f.write(\" pseudo_dir = './pseudo/'\\n\")\n f.write(\" outdir = './tmp/'\\n\")\n f.write(\" prefix = 'calc'\\n\")\n f.write(\" tprnfor = .true.\\n\") # Remove this and the line below if forces for phonons not needed\n f.write(\" tstress = .true.\\n\")\n f.write(\"/\\n\\n\")\n\n # SYSTEM\n f.write(\"&SYSTEM\\n\")\n f.write(f\" nat = {nat}\\n\")\n f.write(f\" ntyp = {len(species_ordered)}\\n\")\n f.write(\" ecutwfc = 45\\n\")\n #f.write(\" tot_charge = 1\\n\") # Remove comment if using charged body\n f.write(\" ecutrho = 360\\n\")\n # f.write(\" nbnd = 112\\n\")\n f.write(\" input_dft = 'PBE'\\n\")\n f.write(\" occupations = 'smearing'\\n\")\n f.write(\" smearing = 'gaussian'\\n\")\n f.write(\" degauss = 0.005\\n\")\n f.write(\" vdw_corr = 'grimme-d3'\\n\")\n f.write(\" dftd3_version = 4\\n\")\n f.write(\" dftd3_threebody = .false.\\n\")\n f.write(\" assume_isolated = 'mt'\\n\")\n f.write(\" ibrav = 0\\n\")\n f.write(\" nosym = .true.\\n\")\n f.write(\" noinv = .true.\\n\")\n f.write(\" noncolin = .false.\\n\")\n f.write(\" lspinorb = .false.\\n\")\n f.write(\"/\\n\\n\")\n\n # ELECTRONS\n f.write(\"&ELECTRONS\\n\")\n f.write(\" conv_thr = 1.0d-8\\n\")\n f.write(\" mixing_beta = 0.3\\n\")\n f.write(\" mixing_mode = 'local-TF'\\n\")\n f.write(\" electron_maxstep = 250\\n\")\n f.write(\"/\\n\\n\")\n \n # IONS\n # Use only when running calculation = relax, otherwise comment it out. Change damp to bfgs if the system is fairly stable.\n f.write(\"&IONS\\n\")\n f.write(\" ion_dynamics = 'bfgs'\\n\")\n f.write(\" trust_radius_ini = 0.10\\n\") # Lower for unstable systems\n f.write(\" trust_radius_max = 0.50\\n\") # Lower for unstable systems\n #f.write(\" upscale = 0.5\\n\")\n f.write(\"/\\n\\n\")\n\n # ATOMIC_SPECIES\n f.write(\"ATOMIC_SPECIES\\n\")\n for el in species_ordered:\n mass = masses.get(el, 1.0)\n pseudo_filename = pseudo_map[el]\n f.write(f\"{el:>3} {mass:10.5f} {pseudo_filename}\\n\")\n \n # ATOMIC_POSITIONS\n f.write(\"\\nATOMIC_POSITIONS angstrom\\n\")\n for el, x, y, z in atoms:\n f.write(f\"{el:>3} {x} {y} {z}\\n\")\n \n # CELL PARAMETERS ANGSTROMS\n f.write(\"\\nCELL_PARAMETERS angstrom\\n\")\n f.write(\"20.0 0.0 0.0\\n\")\n f.write(\"0.0 20.0 0.0\\n\")\n f.write(\"0.0 0.0 20.0\\n\")\n\n # K_POINTS\n f.write(\"\\nK_POINTS gamma\\n\")\n #f.write(\"1 1 1 0 0 0\\n\")\n\n # HUBBARD\n has_hubbard = any(el in hubbard_u for el in species_ordered)\n if has_hubbard:\n f.write(\"\\nHUBBARD ortho-atomic\\n\")\n for el in species_ordered:\n if el in hubbard_u:\n f.write(f\"U {el}-5f {hubbard_u[el]}\\n\")\n\n print(f\"QE input ready: {output}\")\n print(\"Pseudopotentials used:\")\n for el in species_ordered:\n print(f\" {el} -> {pseudo_map[el]}\")\n\nxyz_to_qe(\"/kaggle/input/datasets/pcsciprav/personal-project-molecules/Molecules_screening/C2N28O20.xyz\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-17T06:33:20.18594Z","iopub.execute_input":"2026-08-17T06:33:20.186725Z","iopub.status.idle":"2026-08-17T06:33:22.726504Z","shell.execute_reply.started":"2026-08-17T06:33:20.18669Z","shell.execute_reply":"2026-08-17T06:33:22.725482Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Using existing pseudo: pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF\nUsing existing pseudo: pseudo/O.pbe-n-kjpaw_psl.1.0.0.UPF\nUsing existing pseudo: pseudo/C.pbe-n-kjpaw_psl.1.0.0.UPF\nQE input ready: input.in\nPseudopotentials used:\n N -> N.pbe-n-kjpaw_psl.1.0.0.UPF\n O -> O.pbe-n-kjpaw_psl.1.0.0.UPF\n C -> C.pbe-n-kjpaw_psl.1.0.0.UPF\n","output_type":"stream"}],"execution_count":15},{"cell_type":"code","source":"prefix = \"calc\"\noutdir = \"./tmp/\"\nfilhess = f\"{prefix}.hess\"\nstep = 1.0e-3\n\nd3hess_input = f\"\"\"&INPUT\n prefix = '{prefix}',\n outdir = '{outdir}',\n filhess = '{filhess}',\n step = {step:.1e}\n/\n\"\"\"\n\nwith open(\"d3hess.in\", \"w\") as f:\n f.write(d3hess_input)\n\nprint(\"Created d3hess.in\")\nprint(d3hess_input)","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Clones input.in to the supercell.in for running parallel finite displacement phonons.","metadata":{}},{"cell_type":"code","source":"import glob\n\n# 1. Read your baseline file and split it in half around the coordinates\nwith open('input.in', 'r') as f:\n baseline_lines = f.readlines()\n\npre_positions = []\npost_positions = []\nis_positions_block = False\npassed_positions = False\n\n# These keywords tell the script when the position block ends\nqe_keywords = ['&CONTROL', '&SYSTEM', '&ELECTRONS', '&IONS', '&CELL', \n 'K_POINTS', 'CELL_PARAMETERS', 'ATOMIC_SPECIES']\n\nfor line in baseline_lines:\n line_upper = line.strip().upper()\n \n if line_upper.startswith('ATOMIC_POSITIONS'):\n is_positions_block = True\n continue\n \n if is_positions_block:\n if any(line_upper.startswith(kw) for kw in qe_keywords):\n is_positions_block = False\n passed_positions = True\n post_positions.append(line)\n continue\n \n if not is_positions_block:\n if not passed_positions:\n pre_positions.append(line)\n else:\n post_positions.append(line)\n\n# 2. Extract the nudged coordinates from Phonopy's files\nfor target_file in glob.glob('supercell-*.in'):\n with open(target_file, 'r') as f:\n target_lines = f.readlines()\n \n new_positions = []\n in_target_pos = False\n \n for line in target_lines:\n line_upper = line.strip().upper()\n \n if line_upper.startswith('ATOMIC_POSITIONS'):\n in_target_pos = True\n new_positions.append(line)\n continue\n \n if in_target_pos:\n if any(line_upper.startswith(kw) for kw in qe_keywords):\n break\n if line.strip(): # Keep the coordinate lines\n new_positions.append(line)\n\n # 3. Sandwich the new coordinates inside your original baseline settings\n if new_positions:\n with open(target_file, 'w') as f:\n f.writelines(pre_positions)\n f.write(\"\\n\")\n f.writelines(new_positions)\n f.write(\"\\n\")\n f.writelines(post_positions)\n print(f\"Successfully applied baseline settings to: {target_file}\")\n else:\n print(f\"Skipped: Could not find coordinates in {target_file}\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy-init -d --qe --dim=\"1 1 1\" -c input.in","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!rm -rf supercell-*.in\n!rm -rf supercell.in","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy --qe -f supercell-[0-9][0-9][0-9].out","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!touch mesh.conf\nwith open(\"mesh.conf\", \"w\") as f:\n f.write(\"ATOM_NAME = C N F O H\\n\")\n f.write(\"DIM = 1 1 1\\n\")\n f.write(\"MESH = 1 1 1\\n\")\n f.write(\"FORCE_SETS = READ\\n\")\n\nprint(\"mesh.conf has been created successfully.\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy --qe -c input.in -p mesh.conf","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!cat mesh.yaml","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Used to create molecular dynamics setup. Can be extremely sensitive.","metadata":{}},{"cell_type":"code","source":"def xyz_to_qe(xyz_file, output=\"input.in\", mode='cp'):\n with open(xyz_file, \"r\", encoding=\"utf-8\") as f:\n lines = f.readlines()\n\n nat = int(lines[0].strip())\n coords = lines[2:2 + nat]\n atoms = []\n species_ordered = []\n\n for line in coords:\n parts = line.split()\n el, x, y, z = parts[:4]\n atoms.append((el, float(x)+10.0, float(y)+10.0, float(z)+10.0))\n if el not in species_ordered: species_ordered.append(el)\n\n pseudo_map = {el: download_pseudo(el) for el in species_ordered}\n\n with open(output, \"w\", encoding=\"ascii\", newline=\"\\n\") as f:\n # --- 1. CONTROL ---\n # Stripped to the absolute bare minimums\n f.write(\"&CONTROL\\n\")\n f.write(\" calculation = 'cp',\\n\")\n f.write(\" restart_mode = 'from_scratch',\\n\")\n f.write(\" prefix = 'tesseract',\\n\")\n f.write(\" pseudo_dir = './pseudo/',\\n\")\n f.write(\" outdir = './tmp/',\\n\")\n f.write(\" dt = 5.0,\\n\")\n f.write(\" nstep = 500,\\n\")\n f.write(\" ndr = 51,\\n\")\n f.write(\" ndw = 51\\n\") # Removed TQR\n f.write(\"/\\n\\n\")\n\n # --- 2. SYSTEM ---\n f.write(\"&SYSTEM\\n\")\n f.write(f\" ibrav = 0, nat = {nat}, ntyp = {len(species_ordered)},\\n\")\n f.write(\" ecutwfc = 65.0,\\n\")\n f.write(\" ecutrho = 260.0,\\n\")\n f.write(\" input_dft = 'PBE',\\n\")\n f.write(\" nosym = .true.\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 3. ELECTRONS ---\n f.write(\"&ELECTRONS\\n\")\n f.write(\" electron_dynamics = 'damp',\\n\")\n f.write(\" electron_damping = 0.1,\\n\")\n f.write(\" emass = 400.0,\\n\")\n f.write(\" emass_cutoff = 2.5\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 4. IONS ---\n f.write(\"&IONS\\n\")\n f.write(\" ion_dynamics = 'none'\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 5. ATOMIC DATA ---\n f.write(\"ATOMIC_SPECIES\\n\")\n for el in species_ordered:\n f.write(f\"{el:>3} {masses.get(el, 1.0):10.5f} {pseudo_map[el]}\\n\")\n\n f.write(\"\\nATOMIC_POSITIONS angstrom\\n\")\n for el, x, y, z in atoms:\n f.write(f\"{el:>3} {x:12.8f} {y:12.8f} {z:12.8f}\\n\")\n \n f.write(\"\\nCELL_PARAMETERS angstrom\\n\")\n f.write(\"20.0 0.0 0.0\\n0.0 20.0 0.0\\n0.0 0.0 20.0\\n\")\n\n print(f\"✅ Clean CP Input ready: {output}\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Generates ph.x input, to be used only after running d3hess.x","metadata":{}},{"cell_type":"code","source":"def generate_ph_input_fixed(prefix=\"calc\", outdir=\"./tmp/\", verbosity=\"high\"):\n with open(\"ph.in\", \"w\") as f:\n f.write(\"&inputph\\n\")\n f.write(f\" prefix = '{prefix}',\\n\")\n f.write(f\" outdir = '{outdir}',\\n\")\n f.write(\" tr2_ph = 1.0d-10,\\n\")\n f.write(\" alpha_mix(1) = 0.10,\\n\")\n f.write(\" nmix_ph = 8,\\n\")\n f.write(\" diagonalization = 'cg',\\n\")\n f.write(\" recover = .true.,\\n\")\n f.write(\" niter_ph = 50,\\n\")\n f.write(\" search_sym = .false.,\\n\")\n f.write(\" fildyn = 'calc.dyn',\\n\")\n f.write(\" trans = .true.,\\n\")\n #f.write(\" ldisp = .false.,\\n\")\n f.write(f\" verbosity = '{verbosity}'\\n\")\n f.write(\"/\\n\")\n f.write(\"0.0 0.0 0.0\\n\")\n\n print(\"Generated ph.in for Gamma point molecular vibrational frequencies\")\n\n# Test single q-point first\ngenerate_ph_input_fixed(verbosity='high')","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"NASA CEA Propellant checker","metadata":{}},{"cell_type":"code","source":"from rocketcea.cea_obj import CEA_Obj\nfrom rocketcea import cea_obj\n\n# 1. Define your custom monopropellant card\n# Format: 'ChemicalFormula', Enthalpy(kJ/mol), Density(g/cc, optional)\n# Swap C12H12N12O12F2 with your EXACT atom counts from your QE file.\n# Swap -500.0 with your calculated Heat of Formation in kJ/mol.\n\ncard_str = \"\"\"\nfuel MyCustomPropellant C 12 H 6 N 14 O 10 F 2 wt=100.0\nh,kj/mol=-500.0 t(k)=298.15\n\"\"\"\n\n# 2. Inject it into RocketCEA's internal dictionary\ncea_obj.add_new_fuel('MyCustomPropellant', card_str)\n\n# 3. Create the CEA Object\n# For a monopropellant, we name it as the fuel, and just pick a dummy oxidizer (like LOX)\n# because we will set the Mixture Ratio to 0.0 anyway.\nispObj = CEA_Obj(oxName=\"LOX\", fuelName=\"MyCustomPropellant\")\n\n# 4. Pull the juicy metrics\n# Pc = Chamber Pressure (psia) -> 1000.0 is industry standard for screening\n# eps = Nozzle Expansion Area Ratio -> 40.0 is standard for vacuum screening\n# MR = Mixture Ratio -> MUST BE 0.0 for a monopropellant (it burns itself)\nPc = 1000.0\neps = 40.0\nMR = 0.0\n\n# This single function pulls Vacuum Isp, C-Star (characteristic velocity), and Combustion Temp\nfinal_text = ispObj.get_full_cea_output(Pc=Pc, MR=MR)\n\n# Grab the average Molecular Weight and Gamma (ratio of specific heats) of the chamber exhaust gases\n_, _, _, mw_exhaust, gamma = ispObj.get_IvacCstrTc_ChmMwGam(Pc=Pc, MR=MR, eps=eps)\n\nwith open(\"propellant_products.txt\", \"w\") as f:\n f.write(final_text)\nprint(f\"Exhaust MW: {mw_exhaust}, Gamma: {gamma}\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null}]} \ No newline at end of file From 0e89b720cc094804e3c32b20b1579b79dbc28f14 Mon Sep 17 00:00:00 2001 From: Pravin Carthic <56361904+pravincarthic@users.noreply.github.com> Date: Tue, 25 Aug 2026 20:33:29 +0530 Subject: [PATCH 4/4] Added extra markdown instructions --- Quantum_espresso_install_guide.ipynb | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Quantum_espresso_install_guide.ipynb b/Quantum_espresso_install_guide.ipynb index bbc5f1f..521689c 100644 --- a/Quantum_espresso_install_guide.ipynb +++ b/Quantum_espresso_install_guide.ipynb @@ -1 +1 @@ -{"metadata":{"kernelspec":{"language":"python","display_name":"Python 3","name":"python3"},"language_info":{"name":"python","version":"3.12.12","mimetype":"text/x-python","codemirror_mode":{"name":"ipython","version":3},"pygments_lexer":"ipython3","nbconvert_exporter":"python","file_extension":".py"},"kaggle":{"accelerator":"gpu","dataSources":[{"sourceType":"datasetVersion","sourceId":15490887},{"sourceType":"datasetVersion","sourceId":15564737},{"sourceType":"datasetVersion","sourceId":15654163},{"sourceType":"datasetVersion","sourceId":15660946},{"sourceType":"datasetVersion","sourceId":15664593},{"sourceType":"datasetVersion","sourceId":15664603},{"sourceType":"datasetVersion","sourceId":15809101},{"sourceType":"datasetVersion","sourceId":17784416},{"sourceType":"datasetVersion","sourceId":18918875}],"isInternetEnabled":true,"language":"python","sourceType":"notebook","isGpuEnabled":false}},"nbformat_minor":4,"nbformat":4,"cells":[{"cell_type":"markdown","source":"# Quantum ESPRESSO installation guide on Python for P100 GPU","metadata":{}},{"cell_type":"markdown","source":"## 1. Install Dependencies","metadata":{}},{"cell_type":"code","source":"%%bash\napt-get update\napt-get install -y build-essential wget \\\n libfftw3-dev libblas-dev liblapack-dev \\\n libscalapack-mpi-dev libopenmpi-dev openmpi-bin\napt-get install -y libxc-dev libxc9\npip install numpy scipy pyyaml matplotlib phonopy ase cclib","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-17T04:11:32.897716Z","iopub.execute_input":"2026-08-17T04:11:32.898591Z","iopub.status.idle":"2026-08-17T04:12:04.006324Z","shell.execute_reply.started":"2026-08-17T04:11:32.898521Z","shell.execute_reply":"2026-08-17T04:12:04.005721Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Get:1 https://cloud.r-project.org/bin/linux/ubuntu jammy-cran40/ InRelease [3,632 B]\nGet:2 https://cli.github.com/packages stable InRelease [3,917 B]\nGet:3 https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64 InRelease [1,578 B]\nGet:4 https://cli.github.com/packages stable/main amd64 Packages [356 B]\nGet:5 https://r2u.stat.illinois.edu/ubuntu jammy InRelease [6,555 B]\nGet:6 http://security.ubuntu.com/ubuntu jammy-security InRelease [129 kB]\nGet:7 https://cloud.r-project.org/bin/linux/ubuntu jammy-cran40/ Packages [107 kB]\nHit:8 http://archive.ubuntu.com/ubuntu jammy InRelease\nGet:9 https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64 Packages [2,908 kB]\nGet:10 http://archive.ubuntu.com/ubuntu jammy-updates InRelease [128 kB]\nGet:11 https://r2u.stat.illinois.edu/ubuntu jammy/main all Packages [10.7 MB]\nGet:12 https://ppa.launchpadcontent.net/deadsnakes/ppa/ubuntu jammy InRelease [18.1 kB]\nHit:13 https://ppa.launchpadcontent.net/graphics-drivers/ppa/ubuntu jammy InRelease\nGet:14 http://security.ubuntu.com/ubuntu jammy-security/restricted amd64 Packages [7,557 kB]\nHit:15 https://ppa.launchpadcontent.net/ubuntugis/ppa/ubuntu jammy InRelease\nGet:16 http://archive.ubuntu.com/ubuntu jammy-backports InRelease [127 kB]\nGet:17 https://r2u.stat.illinois.edu/ubuntu jammy/main amd64 Packages [3,164 kB]\nGet:18 https://ppa.launchpadcontent.net/deadsnakes/ppa/ubuntu jammy/main amd64 Packages [44.3 kB]\nGet:19 http://archive.ubuntu.com/ubuntu jammy-updates/main amd64 Packages [4,532 kB]\nGet:20 http://security.ubuntu.com/ubuntu jammy-security/universe amd64 Packages [1,314 kB]\nGet:21 http://security.ubuntu.com/ubuntu jammy-security/main amd64 Packages [4,199 kB]\nGet:22 http://security.ubuntu.com/ubuntu jammy-security/multiverse amd64 Packages [84.1 kB]\nGet:23 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 Packages [1,616 kB]\nGet:24 http://archive.ubuntu.com/ubuntu jammy-updates/restricted amd64 Packages [7,848 kB]\nGet:25 http://archive.ubuntu.com/ubuntu jammy-updates/multiverse amd64 Packages [92.7 kB]\nGet:26 http://archive.ubuntu.com/ubuntu jammy-backports/main amd64 Packages [82.8 kB]\nGet:27 http://archive.ubuntu.com/ubuntu jammy-backports/universe amd64 Packages [35.6 kB]\nFetched 44.7 MB in 3s (13.3 MB/s)\nReading package lists...\nReading package lists...\nBuilding dependency tree...\nReading state information...\nbuild-essential is already the newest version (12.9ubuntu3).\nliblapack-dev is already the newest version (3.10.0-2ubuntu1).\nlibopenmpi-dev is already the newest version (4.1.2-2ubuntu1).\nlibopenmpi-dev set to manually installed.\nlibscalapack-mpi-dev is already the newest version (2.1.0-4).\nlibscalapack-mpi-dev set to manually installed.\nopenmpi-bin is already the newest version (4.1.2-2ubuntu1).\nopenmpi-bin set to manually installed.\nThe following additional packages will be installed:\n libfftw3-bin libfftw3-long3 libfftw3-quad3 libfftw3-single3\nSuggested packages:\n liblapack-doc libfftw3-doc\nThe following NEW packages will be installed:\n libblas-dev libfftw3-bin libfftw3-dev libfftw3-long3 libfftw3-quad3\n libfftw3-single3\nThe following packages will be upgraded:\n wget\n1 upgraded, 6 newly installed, 0 to remove and 305 not upgraded.\nNeed to get 4,387 kB of archives.\nAfter this operation, 23.5 MB of additional disk space will be used.\nGet:1 http://archive.ubuntu.com/ubuntu jammy-updates/main amd64 wget amd64 1.21.2-2ubuntu1.4 [339 kB]\nGet:2 http://archive.ubuntu.com/ubuntu jammy/main amd64 libblas-dev amd64 3.10.0-2ubuntu1 [164 kB]\nGet:3 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-long3 amd64 3.3.8-2ubuntu8 [335 kB]\nGet:4 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-quad3 amd64 3.3.8-2ubuntu8 [614 kB]\nGet:5 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-single3 amd64 3.3.8-2ubuntu8 [800 kB]\nGet:6 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-bin amd64 3.3.8-2ubuntu8 [35.5 kB]\nGet:7 http://archive.ubuntu.com/ubuntu jammy/main amd64 libfftw3-dev amd64 3.3.8-2ubuntu8 [2,101 kB]\nFetched 4,387 kB in 2s (2,649 kB/s)\n(Reading database ... 124626 files and directories currently installed.)\nPreparing to unpack .../0-wget_1.21.2-2ubuntu1.4_amd64.deb ...\nUnpacking wget (1.21.2-2ubuntu1.4) over (1.21.2-2ubuntu1.1) ...\nSelecting previously unselected package libblas-dev:amd64.\nPreparing to unpack .../1-libblas-dev_3.10.0-2ubuntu1_amd64.deb ...\nUnpacking libblas-dev:amd64 (3.10.0-2ubuntu1) ...\nSelecting previously unselected package libfftw3-long3:amd64.\nPreparing to unpack .../2-libfftw3-long3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-long3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-quad3:amd64.\nPreparing to unpack .../3-libfftw3-quad3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-quad3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-single3:amd64.\nPreparing to unpack .../4-libfftw3-single3_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-single3:amd64 (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-bin.\nPreparing to unpack .../5-libfftw3-bin_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-bin (3.3.8-2ubuntu8) ...\nSelecting previously unselected package libfftw3-dev:amd64.\nPreparing to unpack .../6-libfftw3-dev_3.3.8-2ubuntu8_amd64.deb ...\nUnpacking libfftw3-dev:amd64 (3.3.8-2ubuntu8) ...\nSetting up libfftw3-single3:amd64 (3.3.8-2ubuntu8) ...\nSetting up wget (1.21.2-2ubuntu1.4) ...\nSetting up libfftw3-long3:amd64 (3.3.8-2ubuntu8) ...\nSetting up libfftw3-quad3:amd64 (3.3.8-2ubuntu8) ...\nSetting up libblas-dev:amd64 (3.10.0-2ubuntu1) ...\nSetting up libfftw3-bin (3.3.8-2ubuntu8) ...\nSetting up libfftw3-dev:amd64 (3.3.8-2ubuntu8) ...\nProcessing triggers for man-db (2.10.2-1) ...\nProcessing triggers for libc-bin (2.35-0ubuntu3.8) ...\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_5.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero_v2.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_0.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_loader.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbb.so.12 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libumf.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm_debug.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_opencl.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc_proxy.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libhwloc.so.15 is not a symbolic link\n\nReading package lists...\nBuilding dependency tree...\nReading state information...\nThe following NEW packages will be installed:\n libxc-dev libxc9\n0 upgraded, 2 newly installed, 0 to remove and 305 not upgraded.\nNeed to get 11.9 MB of archives.\nAfter this operation, 41.2 MB of additional disk space will be used.\nGet:1 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libxc9 amd64 5.1.7-1ubuntu1 [3,900 kB]\nGet:2 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libxc-dev amd64 5.1.7-1ubuntu1 [8,038 kB]\nFetched 11.9 MB in 2s (5,804 kB/s)\nSelecting previously unselected package libxc9:amd64.\n(Reading database ... 124727 files and directories currently installed.)\nPreparing to unpack .../libxc9_5.1.7-1ubuntu1_amd64.deb ...\nUnpacking libxc9:amd64 (5.1.7-1ubuntu1) ...\nSelecting previously unselected package libxc-dev.\nPreparing to unpack .../libxc-dev_5.1.7-1ubuntu1_amd64.deb ...\nUnpacking libxc-dev (5.1.7-1ubuntu1) ...\nSetting up libxc9:amd64 (5.1.7-1ubuntu1) ...\nSetting up libxc-dev (5.1.7-1ubuntu1) ...\nProcessing triggers for libc-bin (2.35-0ubuntu3.8) ...\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_5.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_level_zero_v2.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_0.so.3 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_loader.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbb.so.12 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libumf.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm_debug.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libur_adapter_opencl.so.0 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc_proxy.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtcm.so.1 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc.so.2 is not a symbolic link\n\n/sbin/ldconfig.real: /usr/local/lib/libhwloc.so.15 is not a symbolic link\n\nRequirement already satisfied: numpy in /usr/local/lib/python3.12/dist-packages (2.0.2)\nRequirement already satisfied: scipy in /usr/local/lib/python3.12/dist-packages (1.16.3)\nRequirement already satisfied: pyyaml in /usr/local/lib/python3.12/dist-packages (6.0.3)\nRequirement already satisfied: matplotlib in /usr/local/lib/python3.12/dist-packages (3.10.0)\nCollecting phonopy\n Downloading phonopy-4.4.0-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl.metadata (3.7 kB)\nCollecting ase\n Downloading ase-3.29.0-py3-none-any.whl.metadata (4.4 kB)\nCollecting cclib\n Downloading cclib-1.8.1-py3-none-any.whl.metadata (4.7 kB)\nRequirement already satisfied: contourpy>=1.0.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (1.3.3)\nRequirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (0.12.1)\nRequirement already satisfied: fonttools>=4.22.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (4.61.1)\nRequirement already satisfied: kiwisolver>=1.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (1.4.9)\nRequirement already satisfied: packaging>=20.0 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (26.0)\nRequirement already satisfied: pillow>=8 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (11.3.0)\nRequirement already satisfied: pyparsing>=2.3.1 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (3.3.2)\nRequirement already satisfied: python-dateutil>=2.7 in /usr/local/lib/python3.12/dist-packages (from matplotlib) (2.9.0.post0)\nRequirement already satisfied: h5py>=3.0 in /usr/local/lib/python3.12/dist-packages (from phonopy) (3.15.1)\nCollecting spglib>=2.5 (from phonopy)\n Downloading spglib-2.7.0-cp312-cp312-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl.metadata (4.2 kB)\nCollecting symfc>=1.7 (from phonopy)\n Downloading symfc-1.7.3-py3-none-any.whl.metadata (2.1 kB)\nCollecting phonors>=0.3.0 (from phonopy)\n Downloading phonors-0.3.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (2.6 kB)\nRequirement already satisfied: typing_extensions>=4.13.1 in /usr/local/lib/python3.12/dist-packages (from ase) (4.15.0)\nCollecting periodictable (from cclib)\n Downloading periodictable-2.1.0-py3-none-any.whl.metadata (5.2 kB)\nRequirement already satisfied: six>=1.5 in /usr/local/lib/python3.12/dist-packages (from python-dateutil>=2.7->matplotlib) (1.17.0)\nDownloading phonopy-4.4.0-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl (851 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 851.0/851.0 kB 17.1 MB/s eta 0:00:00\nDownloading ase-3.29.0-py3-none-any.whl (3.0 MB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 3.0/3.0 MB 78.3 MB/s eta 0:00:00\nDownloading cclib-1.8.1-py3-none-any.whl (353 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 353.6/353.6 kB 26.1 MB/s eta 0:00:00\nDownloading phonors-0.3.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.5 MB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.5/1.5 MB 64.3 MB/s eta 0:00:00\nDownloading spglib-2.7.0-cp312-cp312-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl (962 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 962.5/962.5 kB 57.5 MB/s eta 0:00:00\nDownloading symfc-1.7.3-py3-none-any.whl (114 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 114.9/114.9 kB 9.6 MB/s eta 0:00:00\nDownloading periodictable-2.1.0-py3-none-any.whl (830 kB)\n ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 830.7/830.7 kB 39.9 MB/s eta 0:00:00\nInstalling collected packages: spglib, phonors, periodictable, symfc, cclib, phonopy, ase\nSuccessfully installed ase-3.29.0 cclib-1.8.1 periodictable-2.1.0 phonopy-4.4.0 phonors-0.3.0 spglib-2.7.0 symfc-1.7.3\n","output_type":"stream"},{"name":"stderr","text":"W: Skipping acquire of configured file 'main/source/Sources' as repository 'https://r2u.stat.illinois.edu/ubuntu jammy InRelease' does not seem to provide it (sources.list entry misspelt?)\n","output_type":"stream"}],"execution_count":1},{"cell_type":"markdown","source":"## 2. Download Quantum ESPRESSO and NVFORTRAN/NVHPC SDK","metadata":{}},{"cell_type":"markdown","source":"Will take ~15-17 GiB of output space, ensure there is enough storage","metadata":{}},{"cell_type":"code","source":"!cd \n!wget https://github.com/QEF/q-e/archive/refs/tags/qe-7.6.tar.gz\n!tar -xvf qe-7.6.tar.gz\n!rm -rf /kaggle/working/qe-7.6.tar.gz\n%cd q-e-qe-7.6","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T04:12:04.007736Z","iopub.execute_input":"2026-08-17T04:12:04.007948Z","iopub.status.idle":"2026-08-17T04:12:14.372696Z","shell.execute_reply.started":"2026-08-17T04:12:04.007927Z","shell.execute_reply":"2026-08-17T04:12:14.371403Z"}},"outputs":[{"name":"stdout","text":"--2026-08-17 04:12:04-- https://github.com/QEF/q-e/archive/refs/tags/qe-7.6.tar.gz\nResolving github.com (github.com)... 140.82.116.3\nConnecting to github.com (github.com)|140.82.116.3|:443... connected.\nHTTP request sent, awaiting response... 302 Found\nLocation: https://codeload.github.com/QEF/q-e/tar.gz/refs/tags/qe-7.6 [following]\n--2026-08-17 04:12:04-- https://codeload.github.com/QEF/q-e/tar.gz/refs/tags/qe-7.6\nResolving codeload.github.com (codeload.github.com)... 20.29.134.24\nConnecting to codeload.github.com (codeload.github.com)|20.29.134.24|:443... connected.\nHTTP request sent, awaiting response... 200 OK\nLength: unspecified [application/x-gzip]\nSaving to: ‘qe-7.6.tar.gz’\n\nqe-7.6.tar.gz [ <=> ] 83.63M 12.8MB/s in 7.4s \n\n2026-08-17 04:12:12 (11.3 MB/s) - ‘qe-7.6.tar.gz’ saved [87688909]\n\nq-e-qe-7.6/\nq-e-qe-7.6/.ci/\nq-e-qe-7.6/.ci/cineca.yml\nq-e-qe-7.6/.cmake-format\nq-e-qe-7.6/.editorconfig\nq-e-qe-7.6/.github/\nq-e-qe-7.6/.github/pull_request_template.md\nq-e-qe-7.6/.gitignore\nq-e-qe-7.6/.gitlab-ci-main.yml\nq-e-qe-7.6/.gitlab-ci-version-consistency.yml\nq-e-qe-7.6/.gitlab-ci.yml\nq-e-qe-7.6/.gitmodules\nq-e-qe-7.6/.travis.yml\nq-e-qe-7.6/CMakeLists.txt\nq-e-qe-7.6/CONTRIBUTING.md\nq-e-qe-7.6/COUPLE/\nq-e-qe-7.6/COUPLE/CMakeLists.txt\nq-e-qe-7.6/COUPLE/Makefile\nq-e-qe-7.6/COUPLE/README\nq-e-qe-7.6/COUPLE/examples/\nq-e-qe-7.6/COUPLE/examples/Makefile.gfortran\nq-e-qe-7.6/COUPLE/examples/Makefile.ifort\nq-e-qe-7.6/COUPLE/examples/README\nq-e-qe-7.6/COUPLE/examples/c2cp.cpp\nq-e-qe-7.6/COUPLE/examples/c2pw.cpp\nq-e-qe-7.6/COUPLE/examples/f2cp.f90\nq-e-qe-7.6/COUPLE/examples/f2pw.f90\nq-e-qe-7.6/COUPLE/include/\nq-e-qe-7.6/COUPLE/include/libqecouple.h\nq-e-qe-7.6/COUPLE/src/\nq-e-qe-7.6/COUPLE/src/Makefile\nq-e-qe-7.6/COUPLE/src/libcpv.f90\nq-e-qe-7.6/COUPLE/src/libpwscf.f90\nq-e-qe-7.6/COUPLE/src/libqemod.f90\nq-e-qe-7.6/COUPLE/tests/\nq-e-qe-7.6/COUPLE/tests/check-couple.j\nq-e-qe-7.6/COUPLE/tests/clean_all\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-0.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-16.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-2.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-4.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-0.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-16.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-2.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-4.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.in\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-0.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-16.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-2.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-4.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-0.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-16.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-2.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-4.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.in\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-0.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-16.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-2.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-4.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-0.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-16.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-2.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-4.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.in\nq-e-qe-7.6/CPV/\nq-e-qe-7.6/CPV/CMakeLists.txt\nq-e-qe-7.6/CPV/Doc/\nq-e-qe-7.6/CPV/Doc/INPUT_CP.def\nq-e-qe-7.6/CPV/Doc/INPUT_CPPP.def\nq-e-qe-7.6/CPV/Doc/INPUT_WFDD\nq-e-qe-7.6/CPV/Doc/Makefile\nq-e-qe-7.6/CPV/Doc/autopilot_guide.md\nq-e-qe-7.6/CPV/Doc/pandoc_template.html\nq-e-qe-7.6/CPV/Doc/pandoc_template.tex\nq-e-qe-7.6/CPV/Doc/tp.tex\nq-e-qe-7.6/CPV/Doc/user_guide.md\nq-e-qe-7.6/CPV/Ford.md\nq-e-qe-7.6/CPV/Ford/\nq-e-qe-7.6/CPV/Ford/index.md\nq-e-qe-7.6/CPV/Makefile\nq-e-qe-7.6/CPV/examples/\nq-e-qe-7.6/CPV/examples/EXX-wf-example/\nq-e-qe-7.6/CPV/examples/EXX-wf-example/01.input\nq-e-qe-7.6/CPV/examples/EXX-wf-example/01.out\nq-e-qe-7.6/CPV/examples/EXX-wf-example/02.input\nq-e-qe-7.6/CPV/examples/EXX-wf-example/02.out\nq-e-qe-7.6/CPV/examples/EXX-wf-example/H_HSCV_PBE-1.0.UPF\nq-e-qe-7.6/CPV/examples/EXX-wf-example/O_HSCV_PBE-1.0.UPF\nq-e-qe-7.6/CPV/examples/EXX-wf-example/README-Parallelization\nq-e-qe-7.6/CPV/examples/EXX-wf-example/README-example\nq-e-qe-7.6/CPV/examples/EXX-wf-example/example-job-script\nq-e-qe-7.6/CPV/examples/Extffield_example/\nq-e-qe-7.6/CPV/examples/Extffield_example/README\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.extffield\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.inp1\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.inp2\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.out1\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.out2\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/extffield.dat\nq-e-qe-7.6/CPV/examples/Extffield_example/run_example\nq-e-qe-7.6/CPV/examples/README\nq-e-qe-7.6/CPV/examples/Restart_example/\nq-e-qe-7.6/CPV/examples/Restart_example/README\nq-e-qe-7.6/CPV/examples/Restart_example/reference/\nq-e-qe-7.6/CPV/examples/Restart_example/reference/sio2.cp.restart.out\nq-e-qe-7.6/CPV/examples/Restart_example/reference/sio2.cp.start.out\nq-e-qe-7.6/CPV/examples/Restart_example/reference/sio2.pw.restart.out\nq-e-qe-7.6/CPV/examples/Restart_example/run_example\nq-e-qe-7.6/CPV/examples/autopilot-example/\nq-e-qe-7.6/CPV/examples/autopilot-example/reference/\nq-e-qe-7.6/CPV/examples/autopilot-example/reference/water.autopilot.out\nq-e-qe-7.6/CPV/examples/autopilot-example/run_example_water\nq-e-qe-7.6/CPV/examples/example01/\nq-e-qe-7.6/CPV/examples/example01/README\nq-e-qe-7.6/CPV/examples/example01/reference/\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.cp.restart.out\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.cp.start.out\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.vc-cp.out\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.vc-cp.restart.out\nq-e-qe-7.6/CPV/examples/example01/run_example\nq-e-qe-7.6/CPV/examples/example02/\nq-e-qe-7.6/CPV/examples/example02/README\nq-e-qe-7.6/CPV/examples/example02/reference/\nq-e-qe-7.6/CPV/examples/example02/reference/h2o-mol1.out\nq-e-qe-7.6/CPV/examples/example02/reference/h2o-mol2.out\nq-e-qe-7.6/CPV/examples/example02/reference/h2o-mol3.out\nq-e-qe-7.6/CPV/examples/example02/run_example\nq-e-qe-7.6/CPV/examples/example03/\nq-e-qe-7.6/CPV/examples/example03/README\nq-e-qe-7.6/CPV/examples/example03/reference/\nq-e-qe-7.6/CPV/examples/example03/reference/nh3.out\nq-e-qe-7.6/CPV/examples/example03/run_example\nq-e-qe-7.6/CPV/examples/example04/\nq-e-qe-7.6/CPV/examples/example04/README\nq-e-qe-7.6/CPV/examples/example04/reference/\nq-e-qe-7.6/CPV/examples/example04/reference/h2o-32.out\nq-e-qe-7.6/CPV/examples/example04/reference/h2o-64.out\nq-e-qe-7.6/CPV/examples/example04/run_example\nq-e-qe-7.6/CPV/examples/example05/\nq-e-qe-7.6/CPV/examples/example05/README\nq-e-qe-7.6/CPV/examples/example05/reference/\nq-e-qe-7.6/CPV/examples/example05/reference/h2o.efield.out\nq-e-qe-7.6/CPV/examples/example05/reference/h2o.wannier.out\nq-e-qe-7.6/CPV/examples/example05/run_example\nq-e-qe-7.6/CPV/examples/example06/\nq-e-qe-7.6/CPV/examples/example06/README\nq-e-qe-7.6/CPV/examples/example06/reference/\nq-e-qe-7.6/CPV/examples/example06/reference/h2o.scf.out\nq-e-qe-7.6/CPV/examples/example06/reference/h2o.wannier.out\nq-e-qe-7.6/CPV/examples/example06/run_example\nq-e-qe-7.6/CPV/examples/example07/\nq-e-qe-7.6/CPV/examples/example07/README\nq-e-qe-7.6/CPV/examples/example07/reference/\nq-e-qe-7.6/CPV/examples/example07/reference/c4h6.cp.metaGGA.out\nq-e-qe-7.6/CPV/examples/example07/reference/c4h6.pw.metaGGA.out\nq-e-qe-7.6/CPV/examples/example07/run_example\nq-e-qe-7.6/CPV/examples/example08/\nq-e-qe-7.6/CPV/examples/example08/README\nq-e-qe-7.6/CPV/examples/example08/reference/\nq-e-qe-7.6/CPV/examples/example08/reference/si2.ensemble-dyn.out\nq-e-qe-7.6/CPV/examples/example08/run_example\nq-e-qe-7.6/CPV/examples/example09/\nq-e-qe-7.6/CPV/examples/example09/README\nq-e-qe-7.6/CPV/examples/example09/reference/\nq-e-qe-7.6/CPV/examples/example09/reference/mgo.cp.cg.efield.out\nq-e-qe-7.6/CPV/examples/example09/reference/mgo.cp.cg.out\nq-e-qe-7.6/CPV/examples/example09/reference/mgo.cp.damp.efield.out\nq-e-qe-7.6/CPV/examples/example09/run_example\nq-e-qe-7.6/CPV/src/\nq-e-qe-7.6/CPV/src/Makefile\nq-e-qe-7.6/CPV/src/berryion.f90\nq-e-qe-7.6/CPV/src/bforceion.f90\nq-e-qe-7.6/CPV/src/cg.f90\nq-e-qe-7.6/CPV/src/cg_sub.f90\nq-e-qe-7.6/CPV/src/chargedensity.f90\nq-e-qe-7.6/CPV/src/cp_autopilot.f90\nq-e-qe-7.6/CPV/src/cp_control.f90\nq-e-qe-7.6/CPV/src/cp_emass.f90\nq-e-qe-7.6/CPV/src/cp_interfaces.f90\nq-e-qe-7.6/CPV/src/cp_restart_new.f90\nq-e-qe-7.6/CPV/src/cp_wavefunctions.f90\nq-e-qe-7.6/CPV/src/cplib.f90\nq-e-qe-7.6/CPV/src/cplib_meta.f90\nq-e-qe-7.6/CPV/src/cppp.f90\nq-e-qe-7.6/CPV/src/cpr.f90\nq-e-qe-7.6/CPV/src/cpr_loop.f90\nq-e-qe-7.6/CPV/src/cpr_mod.f90\nq-e-qe-7.6/CPV/src/cprstart.f90\nq-e-qe-7.6/CPV/src/dealloc.f90\nq-e-qe-7.6/CPV/src/dforceb.f90\nq-e-qe-7.6/CPV/src/efermi.f90\nq-e-qe-7.6/CPV/src/efield.f90\nq-e-qe-7.6/CPV/src/eigs0.f90\nq-e-qe-7.6/CPV/src/electrons.f90\nq-e-qe-7.6/CPV/src/electrons_nose.f90\nq-e-qe-7.6/CPV/src/energies.f90\nq-e-qe-7.6/CPV/src/ensemble_dft.f90\nq-e-qe-7.6/CPV/src/entropy.f90\nq-e-qe-7.6/CPV/src/environ_cp_module.f90\nq-e-qe-7.6/CPV/src/exch_corr.f90\nq-e-qe-7.6/CPV/src/exx_cg.f90\nq-e-qe-7.6/CPV/src/exx_es.f90\nq-e-qe-7.6/CPV/src/exx_gs.f90\nq-e-qe-7.6/CPV/src/exx_module.f90\nq-e-qe-7.6/CPV/src/exx_pair.f90\nq-e-qe-7.6/CPV/src/exx_psi.f90\nq-e-qe-7.6/CPV/src/exx_vofr.f90\nq-e-qe-7.6/CPV/src/forces.f90\nq-e-qe-7.6/CPV/src/fromscra.f90\nq-e-qe-7.6/CPV/src/gram.f90\nq-e-qe-7.6/CPV/src/gtable.f90\nq-e-qe-7.6/CPV/src/init.f90\nq-e-qe-7.6/CPV/src/init_run.f90\nq-e-qe-7.6/CPV/src/inner_loop_cold.f90\nq-e-qe-7.6/CPV/src/input.f90\nq-e-qe-7.6/CPV/src/ions_positions.f90\nq-e-qe-7.6/CPV/src/ksstates.f90\nq-e-qe-7.6/CPV/src/ldaU.f90\nq-e-qe-7.6/CPV/src/ldaU_cp.f90\nq-e-qe-7.6/CPV/src/ldaUpen.f90\nq-e-qe-7.6/CPV/src/mainvar.f90\nq-e-qe-7.6/CPV/src/manycp.f90\nq-e-qe-7.6/CPV/src/metaxc.f90\nq-e-qe-7.6/CPV/src/modules.f90\nq-e-qe-7.6/CPV/src/move_electrons.f90\nq-e-qe-7.6/CPV/src/newd.f90\nq-e-qe-7.6/CPV/src/nl_base.f90\nq-e-qe-7.6/CPV/src/nlcc.f90\nq-e-qe-7.6/CPV/src/ortho.f90\nq-e-qe-7.6/CPV/src/ortho_base.f90\nq-e-qe-7.6/CPV/src/phasefactor.f90\nq-e-qe-7.6/CPV/src/plugin_add_potential.f90\nq-e-qe-7.6/CPV/src/plugin_clean.f90\nq-e-qe-7.6/CPV/src/plugin_clock.f90\nq-e-qe-7.6/CPV/src/plugin_energy.f90\nq-e-qe-7.6/CPV/src/plugin_ext_forces.f90\nq-e-qe-7.6/CPV/src/plugin_get_potential.f90\nq-e-qe-7.6/CPV/src/plugin_init_base.f90\nq-e-qe-7.6/CPV/src/plugin_init_cell.f90\nq-e-qe-7.6/CPV/src/plugin_init_ions.f90\nq-e-qe-7.6/CPV/src/plugin_initialization.f90\nq-e-qe-7.6/CPV/src/plugin_int_forces.f90\nq-e-qe-7.6/CPV/src/plugin_print_energies.f90\nq-e-qe-7.6/CPV/src/plugin_print_info.f90\nq-e-qe-7.6/CPV/src/plugin_read_input.f90\nq-e-qe-7.6/CPV/src/plugin_utilities.f90\nq-e-qe-7.6/CPV/src/potentials.f90\nq-e-qe-7.6/CPV/src/pres_ai_mod.f90\nq-e-qe-7.6/CPV/src/print_out.f90\nq-e-qe-7.6/CPV/src/problem_size.f90\nq-e-qe-7.6/CPV/src/pseudo_base.f90\nq-e-qe-7.6/CPV/src/pseudopot.f90\nq-e-qe-7.6/CPV/src/pseudopot_sub.f90\nq-e-qe-7.6/CPV/src/qmatrixd.f90\nq-e-qe-7.6/CPV/src/qqberry.f90\nq-e-qe-7.6/CPV/src/restart.f90\nq-e-qe-7.6/CPV/src/restart_sub.f90\nq-e-qe-7.6/CPV/src/runcp.f90\nq-e-qe-7.6/CPV/src/sic.f90\nq-e-qe-7.6/CPV/src/smallbox.f90\nq-e-qe-7.6/CPV/src/smallbox_grid.f90\nq-e-qe-7.6/CPV/src/smallbox_gvec.f90\nq-e-qe-7.6/CPV/src/smallbox_lib.f90\nq-e-qe-7.6/CPV/src/smallbox_subs.f90\nq-e-qe-7.6/CPV/src/spinsq.f90\nq-e-qe-7.6/CPV/src/spline.f90\nq-e-qe-7.6/CPV/src/stop_run.f90\nq-e-qe-7.6/CPV/src/stress.f90\nq-e-qe-7.6/CPV/src/vofrho.f90\nq-e-qe-7.6/CPV/src/vol_clu.f90\nq-e-qe-7.6/CPV/src/wannier.f90\nq-e-qe-7.6/CPV/src/wannier_base.f90\nq-e-qe-7.6/CPV/src/wave.f90\nq-e-qe-7.6/CPV/src/wave_base.f90\nq-e-qe-7.6/CPV/src/wave_types.f90\nq-e-qe-7.6/CPV/src/wf.f90\nq-e-qe-7.6/CPV/src/wfdd.f90\nq-e-qe-7.6/Doc/\nq-e-qe-7.6/Doc/CMakeLists.txt\nq-e-qe-7.6/Doc/ChangeLog.cp\nq-e-qe-7.6/Doc/ChangeLog.old\nq-e-qe-7.6/Doc/ChangeLog.pw\nq-e-qe-7.6/Doc/ExternalForceFields.tex\nq-e-qe-7.6/Doc/Hubbard_input.tex\nq-e-qe-7.6/Doc/Makefile\nq-e-qe-7.6/Doc/README\nq-e-qe-7.6/Doc/brillouin_zones.tex\nq-e-qe-7.6/Doc/constraints_HOWTO.tex\nq-e-qe-7.6/Doc/html.sty\nq-e-qe-7.6/Doc/images/\nq-e-qe-7.6/Doc/images/bcc_bi.png\nq-e-qe-7.6/Doc/images/bco_1.png\nq-e-qe-7.6/Doc/images/bco_2.png\nq-e-qe-7.6/Doc/images/bco_3.png\nq-e-qe-7.6/Doc/images/bco_4.png\nq-e-qe-7.6/Doc/images/bco_5.png\nq-e-qe-7.6/Doc/images/bco_6.png\nq-e-qe-7.6/Doc/images/cubic_bi.png\nq-e-qe-7.6/Doc/images/fcc_bi.png\nq-e-qe-7.6/Doc/images/fcc_sc.png\nq-e-qe-7.6/Doc/images/hex.png\nq-e-qe-7.6/Doc/images/monob.png\nq-e-qe-7.6/Doc/images/monoc.png\nq-e-qe-7.6/Doc/images/ofc_1.png\nq-e-qe-7.6/Doc/images/ofc_10.png\nq-e-qe-7.6/Doc/images/ofc_11.png\nq-e-qe-7.6/Doc/images/ofc_12.png\nq-e-qe-7.6/Doc/images/ofc_13.png\nq-e-qe-7.6/Doc/images/ofc_14.png\nq-e-qe-7.6/Doc/images/ofc_15.png\nq-e-qe-7.6/Doc/images/ofc_16.png\nq-e-qe-7.6/Doc/images/ofc_17.png\nq-e-qe-7.6/Doc/images/ofc_18.png\nq-e-qe-7.6/Doc/images/ofc_2.png\nq-e-qe-7.6/Doc/images/ofc_3.png\nq-e-qe-7.6/Doc/images/ofc_4.png\nq-e-qe-7.6/Doc/images/ofc_5.png\nq-e-qe-7.6/Doc/images/ofc_6.png\nq-e-qe-7.6/Doc/images/ofc_7.png\nq-e-qe-7.6/Doc/images/ofc_8.png\nq-e-qe-7.6/Doc/images/ofc_9.png\nq-e-qe-7.6/Doc/images/ofco_1.png\nq-e-qe-7.6/Doc/images/ofco_2.png\nq-e-qe-7.6/Doc/images/so.png\nq-e-qe-7.6/Doc/images/st.png\nq-e-qe-7.6/Doc/images/stc1.png\nq-e-qe-7.6/Doc/images/stc2.png\nq-e-qe-7.6/Doc/images/stc2_sc.png\nq-e-qe-7.6/Doc/images/tri_1.png\nq-e-qe-7.6/Doc/images/tri_2.png\nq-e-qe-7.6/Doc/pic/\nq-e-qe-7.6/Doc/pic/hh_fes.pdf\nq-e-qe-7.6/Doc/pic/sn2_fes.pdf\nq-e-qe-7.6/Doc/pic/sn2_reaction.pdf\nq-e-qe-7.6/Doc/pic/sn2cv.pdf\nq-e-qe-7.6/Doc/pic/sn2cvs.pdf\nq-e-qe-7.6/Doc/plumed_quick_ref.tex\nq-e-qe-7.6/Doc/quantum_espresso.png\nq-e-qe-7.6/Doc/quote.tex\nq-e-qe-7.6/Doc/release-notes\nq-e-qe-7.6/Doc/user_guide.tex\nq-e-qe-7.6/EPW/\nq-e-qe-7.6/EPW/.dependencies\nq-e-qe-7.6/EPW/CMakeLists.txt\nq-e-qe-7.6/EPW/License\nq-e-qe-7.6/EPW/Makefile\nq-e-qe-7.6/EPW/README\nq-e-qe-7.6/EPW/ZG/\nq-e-qe-7.6/EPW/ZG/README\nq-e-qe-7.6/EPW/ZG/src/\nq-e-qe-7.6/EPW/ZG/src/Makefile\nq-e-qe-7.6/EPW/ZG/src/ZG.f90\nq-e-qe-7.6/EPW/ZG/src/bands_unfold.f90\nq-e-qe-7.6/EPW/ZG/src/disca.f90\nq-e-qe-7.6/EPW/ZG/src/epsilon_Gaus.f90\nq-e-qe-7.6/EPW/ZG/src/local/\nq-e-qe-7.6/EPW/ZG/src/local/JDOS.sh\nq-e-qe-7.6/EPW/ZG/src/local/JDOS_Gaus.f90\nq-e-qe-7.6/EPW/ZG/src/local/commands_bands.sh\nq-e-qe-7.6/EPW/ZG/src/local/compile_gfortran.sh\nq-e-qe-7.6/EPW/ZG/src/local/compile_ifort.sh\nq-e-qe-7.6/EPW/ZG/src/local/create_qlist.f90\nq-e-qe-7.6/EPW/ZG/src/local/epsi_av.sh\nq-e-qe-7.6/EPW/ZG/src/local/kpoints_band_str_unfold.f90\nq-e-qe-7.6/EPW/ZG/src/local/merge_bands.sh\nq-e-qe-7.6/EPW/ZG/src/local/merge_files.sh\nq-e-qe-7.6/EPW/ZG/src/local/rotate.f90\nq-e-qe-7.6/EPW/ZG/src/pp_disca.f90\nq-e-qe-7.6/EPW/ZG/src/pp_spctrlfn.f90\nq-e-qe-7.6/EPW/ZG/tutorial.tar.gz\nq-e-qe-7.6/EPW/bin/\nq-e-qe-7.6/EPW/bin/allocate.py\nq-e-qe-7.6/EPW/bin/pp-xml-depreciated.py\nq-e-qe-7.6/EPW/bin/pp.py\nq-e-qe-7.6/EPW/doc/\nq-e-qe-7.6/EPW/doc/Ford/\nq-e-qe-7.6/EPW/doc/Ford/index.md\nq-e-qe-7.6/EPW/doc/graveyard.txt\nq-e-qe-7.6/EPW/epw.md\nq-e-qe-7.6/EPW/examples/\nq-e-qe-7.6/EPW/examples/diamond/\nq-e-qe-7.6/EPW/examples/diamond/epw/\nq-e-qe-7.6/EPW/examples/diamond/epw/epw.in\nq-e-qe-7.6/EPW/examples/diamond/epw/epw2.in\nq-e-qe-7.6/EPW/examples/diamond/epw/epw3.in\nq-e-qe-7.6/EPW/examples/diamond/epw/epw4.in\nq-e-qe-7.6/EPW/examples/diamond/epw/meshes/\nq-e-qe-7.6/EPW/examples/diamond/epw/meshes/kgen.py\nq-e-qe-7.6/EPW/examples/diamond/epw/meshes/path.dat\nq-e-qe-7.6/EPW/examples/diamond/epw/nscf.in\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.H\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.P\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.dynmat\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.epmat_wanep\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.epwane\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/diam.wout\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/epw.out\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/epw2.out\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/lifetime.phself_34\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/linewidth.elself_50\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/linewidth.phself_50\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/nscf.out\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/scf.out\nq-e-qe-7.6/EPW/examples/diamond/epw/scf.in\nq-e-qe-7.6/EPW/examples/diamond/phonons/\nq-e-qe-7.6/EPW/examples/diamond/phonons/Ref/\nq-e-qe-7.6/EPW/examples/diamond/phonons/Ref/ph.out\nq-e-qe-7.6/EPW/examples/diamond/phonons/Ref/scf.out\nq-e-qe-7.6/EPW/examples/diamond/phonons/ph.in\nq-e-qe-7.6/EPW/examples/diamond/phonons/pp.py\nq-e-qe-7.6/EPW/examples/diamond/phonons/scf.in\nq-e-qe-7.6/EPW/examples/diamond/pp/\nq-e-qe-7.6/EPW/examples/diamond/pp/C_3.98148.UPF\nq-e-qe-7.6/EPW/examples/gan/\nq-e-qe-7.6/EPW/examples/gan/epw/\nq-e-qe-7.6/EPW/examples/gan/epw/epw.in\nq-e-qe-7.6/EPW/examples/gan/epw/gan_band.qpt\nq-e-qe-7.6/EPW/examples/gan/epw/nscf.in\nq-e-qe-7.6/EPW/examples/gan/epw/scf.in\nq-e-qe-7.6/EPW/examples/gan/phonons/\nq-e-qe-7.6/EPW/examples/gan/phonons/ph.in\nq-e-qe-7.6/EPW/examples/gan/phonons/pp.py\nq-e-qe-7.6/EPW/examples/gan/phonons/scf.in\nq-e-qe-7.6/EPW/examples/gan/pp/\nq-e-qe-7.6/EPW/examples/gan/pp/Ga_ONCV_LDA-1.0.upf\nq-e-qe-7.6/EPW/examples/gan/pp/N_ONCV_LDA-1.0.upf\nq-e-qe-7.6/EPW/examples/lif_elpa/\nq-e-qe-7.6/EPW/examples/lif_elpa/README.txt\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/clean.sh\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/epw1.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/epw2.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/epw3.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/nscf.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/run.sh\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/scf.in\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/ph.in\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/run.sh\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/scf.in\nq-e-qe-7.6/EPW/examples/lif_elpa/pseudo/\nq-e-qe-7.6/EPW/examples/lif_elpa/pseudo/F.upf\nq-e-qe-7.6/EPW/examples/lif_elpa/pseudo/Li.upf\nq-e-qe-7.6/EPW/examples/lif_g/\nq-e-qe-7.6/EPW/examples/lif_g/README.txt\nq-e-qe-7.6/EPW/examples/lif_g/check_g.sh\nq-e-qe-7.6/EPW/examples/lif_g/epw/\nq-e-qe-7.6/EPW/examples/lif_g/epw/clean.sh\nq-e-qe-7.6/EPW/examples/lif_g/epw/epw1.in\nq-e-qe-7.6/EPW/examples/lif_g/epw/kpoints.dat\nq-e-qe-7.6/EPW/examples/lif_g/epw/nscf.in\nq-e-qe-7.6/EPW/examples/lif_g/epw/ph.in\nq-e-qe-7.6/EPW/examples/lif_g/epw/qpoints.dat\nq-e-qe-7.6/EPW/examples/lif_g/epw/run.sh\nq-e-qe-7.6/EPW/examples/lif_g/epw/scf.in\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/clean.sh\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/ph.in\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/run.sh\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/scf.in\nq-e-qe-7.6/EPW/examples/lif_g/pseudo/\nq-e-qe-7.6/EPW/examples/lif_g/pseudo/F.upf\nq-e-qe-7.6/EPW/examples/lif_g/pseudo/Li.upf\nq-e-qe-7.6/EPW/examples/lif_hdf5/\nq-e-qe-7.6/EPW/examples/lif_hdf5/11-epsilon/\nq-e-qe-7.6/EPW/examples/lif_hdf5/11-epsilon/epsilon.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/11-epsilon/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/12-sigma/\nq-e-qe-7.6/EPW/examples/lif_hdf5/12-sigma/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/12-sigma/sigma.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/13-kernel/\nq-e-qe-7.6/EPW/examples/lif_hdf5/13-kernel/kernel.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/13-kernel/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/absorption.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/plotxct.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/summarize_eigenvectors.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/README.txt\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/epw1.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/epw2.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/epw3.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/path.kpt\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/ph.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/run.epw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/run.ph.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/scf.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/01-Density/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/01-Density/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/01-Density/scf.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/link.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/generate_ex_band.py\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/link.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/run.bse.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/kernel.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/absorption.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/pseudos/\nq-e-qe-7.6/EPW/examples/lif_hdf5/pseudos/F.upf\nq-e-qe-7.6/EPW/examples/lif_hdf5/pseudos/Li.upf\nq-e-qe-7.6/EPW/examples/lif_hdf5/run.espresso.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/setup.sh\nq-e-qe-7.6/EPW/examples/mgb2/\nq-e-qe-7.6/EPW/examples/mgb2/epw/\nq-e-qe-7.6/EPW/examples/mgb2/epw/epw.in\nq-e-qe-7.6/EPW/examples/mgb2/epw/nscf.in\nq-e-qe-7.6/EPW/examples/mgb2/epw/scf.in\nq-e-qe-7.6/EPW/examples/mgb2/phonons/\nq-e-qe-7.6/EPW/examples/mgb2/phonons/ph.in\nq-e-qe-7.6/EPW/examples/mgb2/phonons/pp.py\nq-e-qe-7.6/EPW/examples/mgb2/phonons/scf.in\nq-e-qe-7.6/EPW/examples/mgb2/pp/\nq-e-qe-7.6/EPW/examples/mgb2/pp/B.pz-vbc.UPF\nq-e-qe-7.6/EPW/examples/mgb2/pp/Mg.pz-n-vbc.UPF\nq-e-qe-7.6/EPW/examples/pb/\nq-e-qe-7.6/EPW/examples/pb/pp/\nq-e-qe-7.6/EPW/examples/pb/pp/pb_s.UPF\nq-e-qe-7.6/EPW/examples/pb/wSOC/\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/epw.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/nscf.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/scf.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/ph.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/pp.py\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/scf.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/epw.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/nscf.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/scf.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/ph.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/pp.py\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/scf.in\nq-e-qe-7.6/EPW/examples/sic/\nq-e-qe-7.6/EPW/examples/sic/epw/\nq-e-qe-7.6/EPW/examples/sic/epw/epw.in\nq-e-qe-7.6/EPW/examples/sic/epw/meshes/\nq-e-qe-7.6/EPW/examples/sic/epw/meshes/10.dat\nq-e-qe-7.6/EPW/examples/sic/epw/nscf.in\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.H\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.P\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.dynmat\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.epmat_wanep\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.epwane\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/epw.out\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/nscf.out\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/scf.out\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/sic.wout\nq-e-qe-7.6/EPW/examples/sic/epw/scf.in\nq-e-qe-7.6/EPW/examples/sic/phonons/\nq-e-qe-7.6/EPW/examples/sic/phonons/out.ref/\nq-e-qe-7.6/EPW/examples/sic/phonons/out.ref/scf.out\nq-e-qe-7.6/EPW/examples/sic/phonons/ph.in\nq-e-qe-7.6/EPW/examples/sic/phonons/pp.py\nq-e-qe-7.6/EPW/examples/sic/phonons/scf.in\nq-e-qe-7.6/EPW/examples/sic/pp/\nq-e-qe-7.6/EPW/examples/sic/pp/C.UPF\nq-e-qe-7.6/EPW/examples/sic/pp/Si.pz-vbc.UPF\nq-e-qe-7.6/EPW/irobjs/\nq-e-qe-7.6/EPW/irobjs/Makefile\nq-e-qe-7.6/EPW/irobjs/README.md\nq-e-qe-7.6/EPW/irobjs/ir_nlambda5_ndigit6.dat\nq-e-qe-7.6/EPW/src/\nq-e-qe-7.6/EPW/src/Makefile\nq-e-qe-7.6/EPW/src/bloch2wannier.f90\nq-e-qe-7.6/EPW/src/close.f90\nq-e-qe-7.6/EPW/src/cumulant.f90\nq-e-qe-7.6/EPW/src/dvqhub.f90\nq-e-qe-7.6/EPW/src/dvqpsi.f90\nq-e-qe-7.6/EPW/src/ep_coarse.f90\nq-e-qe-7.6/EPW/src/ep_coarse_unfolding.f90\nq-e-qe-7.6/EPW/src/ep_constants.f90\nq-e-qe-7.6/EPW/src/epw.f90\nq-e-qe-7.6/EPW/src/exphonon.f90\nq-e-qe-7.6/EPW/src/expolaron.f90\nq-e-qe-7.6/EPW/src/global_setups.f90\nq-e-qe-7.6/EPW/src/global_var.f90\nq-e-qe-7.6/EPW/src/indabs.f90\nq-e-qe-7.6/EPW/src/init.f90\nq-e-qe-7.6/EPW/src/input.f90\nq-e-qe-7.6/EPW/src/io/\nq-e-qe-7.6/EPW/src/io/change.sh\nq-e-qe-7.6/EPW/src/io/io.f90\nq-e-qe-7.6/EPW/src/io/io_ahc.f90\nq-e-qe-7.6/EPW/src/io/io_indabs.f90\nq-e-qe-7.6/EPW/src/io/io_selfen.f90\nq-e-qe-7.6/EPW/src/io/io_sparse_ir.f90\nq-e-qe-7.6/EPW/src/io/io_supercond.f90\nq-e-qe-7.6/EPW/src/io/io_transport.f90\nq-e-qe-7.6/EPW/src/io/io_var.f90\nq-e-qe-7.6/EPW/src/longrange.f90\nq-e-qe-7.6/EPW/src/onemkl_wrappers.f90\nq-e-qe-7.6/EPW/src/phph.f90\nq-e-qe-7.6/EPW/src/polaron.f90\nq-e-qe-7.6/EPW/src/printing.f90\nq-e-qe-7.6/EPW/src/pw2wan.f90\nq-e-qe-7.6/EPW/src/qdabs.f90\nq-e-qe-7.6/EPW/src/qe_wrappers.f90\nq-e-qe-7.6/EPW/src/readin.f90\nq-e-qe-7.6/EPW/src/selfen.f90\nq-e-qe-7.6/EPW/src/setups.f90\nq-e-qe-7.6/EPW/src/spectral.f90\nq-e-qe-7.6/EPW/src/stop.f90\nq-e-qe-7.6/EPW/src/summaries.f90\nq-e-qe-7.6/EPW/src/supercond.f90\nq-e-qe-7.6/EPW/src/supercond_aniso.f90\nq-e-qe-7.6/EPW/src/supercond_common.f90\nq-e-qe-7.6/EPW/src/supercond_coul.f90\nq-e-qe-7.6/EPW/src/supercond_driver.f90\nq-e-qe-7.6/EPW/src/supercond_iso.f90\nq-e-qe-7.6/EPW/src/supercond_vertex.f90\nq-e-qe-7.6/EPW/src/tdbe_common.f90\nq-e-qe-7.6/EPW/src/tdbe_driver.f90\nq-e-qe-7.6/EPW/src/tdbe_mod.f90\nq-e-qe-7.6/EPW/src/transport.f90\nq-e-qe-7.6/EPW/src/transport_legacy.f90\nq-e-qe-7.6/EPW/src/transport_mag.f90\nq-e-qe-7.6/EPW/src/use_wannier.f90\nq-e-qe-7.6/EPW/src/utilities/\nq-e-qe-7.6/EPW/src/utilities/bcast_input.f90\nq-e-qe-7.6/EPW/src/utilities/bzgrid.f90\nq-e-qe-7.6/EPW/src/utilities/change.sh\nq-e-qe-7.6/EPW/src/utilities/check_deps.sh\nq-e-qe-7.6/EPW/src/utilities/clean_unused_modules.py\nq-e-qe-7.6/EPW/src/utilities/clean_unused_variables.py\nq-e-qe-7.6/EPW/src/utilities/kfold.f90\nq-e-qe-7.6/EPW/src/utilities/kgen.f90\nq-e-qe-7.6/EPW/src/utilities/low_lvl.f90\nq-e-qe-7.6/EPW/src/utilities/nscf2supercond.f90\nq-e-qe-7.6/EPW/src/utilities/parallelism.f90\nq-e-qe-7.6/EPW/src/utilities/screening.f90\nq-e-qe-7.6/EPW/src/utilities/sparse_ir.f90\nq-e-qe-7.6/EPW/src/utilities/symmetry.f90\nq-e-qe-7.6/EPW/src/utilities/utilities.f90\nq-e-qe-7.6/EPW/src/wann_common.f90\nq-e-qe-7.6/EPW/src/wannier.f90\nq-e-qe-7.6/EPW/src/wannier2bloch.f90\nq-e-qe-7.6/EPW/src/wannier2bloch_opt.f90\nq-e-qe-7.6/EPW/src/wannierization.f90\nq-e-qe-7.6/EPW/src/wfpt.f90\nq-e-qe-7.6/EPW/src/wigner.f90\nq-e-qe-7.6/FFTXlib/\nq-e-qe-7.6/FFTXlib/CMakeLists.txt\nq-e-qe-7.6/FFTXlib/Makefile\nq-e-qe-7.6/FFTXlib/README.md\nq-e-qe-7.6/FFTXlib/examples/\nq-e-qe-7.6/FFTXlib/examples/reference/\nq-e-qe-7.6/FFTXlib/examples/reference/fft_test0.out\nq-e-qe-7.6/FFTXlib/examples/run_example\nq-e-qe-7.6/FFTXlib/src/\nq-e-qe-7.6/FFTXlib/src/CMakeLists.txt\nq-e-qe-7.6/FFTXlib/src/Makefile\nq-e-qe-7.6/FFTXlib/src/fft_buffers.f90\nq-e-qe-7.6/FFTXlib/src/fft_error.f90\nq-e-qe-7.6/FFTXlib/src/fft_fwinv.f90\nq-e-qe-7.6/FFTXlib/src/fft_ggen.f90\nq-e-qe-7.6/FFTXlib/src/fft_helper_subroutines.f90\nq-e-qe-7.6/FFTXlib/src/fft_interfaces.f90\nq-e-qe-7.6/FFTXlib/src/fft_interpolate.f90\nq-e-qe-7.6/FFTXlib/src/fft_parallel.f90\nq-e-qe-7.6/FFTXlib/src/fft_parallel_2d.f90\nq-e-qe-7.6/FFTXlib/src/fft_param.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.DFTI.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.ESSL.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.FFTW.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.FFTW3.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.SX6.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.cuFFT.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter_2d.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter_2d_gpu.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter_gpu.f90\nq-e-qe-7.6/FFTXlib/src/fft_smallbox.f90\nq-e-qe-7.6/FFTXlib/src/fft_smallbox_type.f90\nq-e-qe-7.6/FFTXlib/src/fft_stick.c\nq-e-qe-7.6/FFTXlib/src/fft_support.f90\nq-e-qe-7.6/FFTXlib/src/fft_types.f90\nq-e-qe-7.6/FFTXlib/src/fftw.c\nq-e-qe-7.6/FFTXlib/src/fftw.h\nq-e-qe-7.6/FFTXlib/src/fftw_dp.c\nq-e-qe-7.6/FFTXlib/src/fftw_dp.h\nq-e-qe-7.6/FFTXlib/src/fftw_interfaces.f90\nq-e-qe-7.6/FFTXlib/src/fftw_sp.c\nq-e-qe-7.6/FFTXlib/src/fftw_sp.h\nq-e-qe-7.6/FFTXlib/src/konst.h\nq-e-qe-7.6/FFTXlib/src/scatter_mod.f90\nq-e-qe-7.6/FFTXlib/src/stick_base.f90\nq-e-qe-7.6/FFTXlib/src/tg_gather.f90\nq-e-qe-7.6/FFTXlib/tests/\nq-e-qe-7.6/FFTXlib/tests/CMakeLists.txt\nq-e-qe-7.6/FFTXlib/tests/Makefile\nq-e-qe-7.6/FFTXlib/tests/fft_test.f90\nq-e-qe-7.6/FFTXlib/tests/gen_test_params.py\nq-e-qe-7.6/FFTXlib/tests/recips.f90\nq-e-qe-7.6/FFTXlib/tests/sort.f90\nq-e-qe-7.6/FFTXlib/tests/test_fft_scalar_gpu.f90\nq-e-qe-7.6/FFTXlib/tests/test_fft_scatter_mod_gpu.f90\nq-e-qe-7.6/FFTXlib/tests/test_fwinv_gpu.f90\nq-e-qe-7.6/FFTXlib/tests/tester.f90\nq-e-qe-7.6/FFTXlib/tests/utils.f90\nq-e-qe-7.6/GUI/\nq-e-qe-7.6/GUI/CMakeLists.txt\nq-e-qe-7.6/GUI/Guib/\nq-e-qe-7.6/GUI/Guib/AUTHORS\nq-e-qe-7.6/GUI/Guib/BUGS\nq-e-qe-7.6/GUI/Guib/COPYING\nq-e-qe-7.6/GUI/Guib/COPYRIGHT\nq-e-qe-7.6/GUI/Guib/ChangeLog\nq-e-qe-7.6/GUI/Guib/INSTALL\nq-e-qe-7.6/GUI/Guib/Makefile\nq-e-qe-7.6/GUI/Guib/NEWS\nq-e-qe-7.6/GUI/Guib/README\nq-e-qe-7.6/GUI/Guib/THANKS\nq-e-qe-7.6/GUI/Guib/TODO\nq-e-qe-7.6/GUI/Guib/VERSION\nq-e-qe-7.6/GUI/Guib/doc/\nq-e-qe-7.6/GUI/Guib/doc/Makefile\nq-e-qe-7.6/GUI/Guib/doc/diagrams/\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-new.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-new.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-open.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-open.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/Guib.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/Guib.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/Makefile\nq-e-qe-7.6/GUI/Guib/doc/diagrams/PWgui.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/PWgui.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/myGUI.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/myGUI.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/myGUI.tcl\nq-e-qe-7.6/GUI/Guib/doc/diagrams/parsing.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/parsing.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/topng.sh\nq-e-qe-7.6/GUI/Guib/doc/robodoc.rc\nq-e-qe-7.6/GUI/Guib/doc/usage.tex\nq-e-qe-7.6/GUI/Guib/examples/\nq-e-qe-7.6/GUI/Guib/examples/README\nq-e-qe-7.6/GUI/Guib/examples/dimension.inp\nq-e-qe-7.6/GUI/Guib/examples/dimension.tcl\nq-e-qe-7.6/GUI/Guib/examples/kpoints.inp\nq-e-qe-7.6/GUI/Guib/examples/kpoints.tcl\nq-e-qe-7.6/GUI/Guib/examples/pages.inp\nq-e-qe-7.6/GUI/Guib/examples/pages.tcl\nq-e-qe-7.6/GUI/Guib/examples/run.sh\nq-e-qe-7.6/GUI/Guib/examples/simpleSim.inp\nq-e-qe-7.6/GUI/Guib/examples/simpleSim.tcl\nq-e-qe-7.6/GUI/Guib/examples/two_pages.tcl\nq-e-qe-7.6/GUI/Guib/examples/validate.inp\nq-e-qe-7.6/GUI/Guib/examples/validate.tcl\nq-e-qe-7.6/GUI/Guib/external/\nq-e-qe-7.6/GUI/Guib/external/lib/\nq-e-qe-7.6/GUI/Guib/external/lib/cmdline/\nq-e-qe-7.6/GUI/Guib/external/lib/cmdline/cmdline.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/cmdline/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/fileutil/\nq-e-qe-7.6/GUI/Guib/external/lib/fileutil/fileutil.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/fileutil/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/license.terms\nq-e-qe-7.6/GUI/Guib/external/lib/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/guib\nq-e-qe-7.6/GUI/Guib/guib.bat\nq-e-qe-7.6/GUI/Guib/guib.tcl\nq-e-qe-7.6/GUI/Guib/guib.theme\nq-e-qe-7.6/GUI/Guib/header.tcl\nq-e-qe-7.6/GUI/Guib/images/\nq-e-qe-7.6/GUI/Guib/images/exit2.gif\nq-e-qe-7.6/GUI/Guib/images/fileclose2.gif\nq-e-qe-7.6/GUI/Guib/images/filenew2.gif\nq-e-qe-7.6/GUI/Guib/images/fileopen2.gif\nq-e-qe-7.6/GUI/Guib/images/filesave2.gif\nq-e-qe-7.6/GUI/Guib/images/filesaveas2.gif\nq-e-qe-7.6/GUI/Guib/images/icons.license\nq-e-qe-7.6/GUI/Guib/init.tcl\nq-e-qe-7.6/GUI/Guib/lib/\nq-e-qe-7.6/GUI/Guib/lib/Makefile\nq-e-qe-7.6/GUI/Guib/lib/aindex\nq-e-qe-7.6/GUI/Guib/lib/header.tcl\nq-e-qe-7.6/GUI/Guib/lib/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/lib/tclIndex\nq-e-qe-7.6/GUI/Guib/lib/tclUtils.tcl\nq-e-qe-7.6/GUI/Guib/lib/tkUtils.tcl\nq-e-qe-7.6/GUI/Guib/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/src/\nq-e-qe-7.6/GUI/Guib/src/Makefile\nq-e-qe-7.6/GUI/Guib/src/aindex\nq-e-qe-7.6/GUI/Guib/src/build.itcl\nq-e-qe-7.6/GUI/Guib/src/dialogshell.itcl\nq-e-qe-7.6/GUI/Guib/src/fnml.tcl\nq-e-qe-7.6/GUI/Guib/src/gui.itcl\nq-e-qe-7.6/GUI/Guib/src/guib-keywords-def.tcl\nq-e-qe-7.6/GUI/Guib/src/guib.itcl\nq-e-qe-7.6/GUI/Guib/src/guibKeywords.itcl\nq-e-qe-7.6/GUI/Guib/src/guibUtils.itcl\nq-e-qe-7.6/GUI/Guib/src/help.itcl\nq-e-qe-7.6/GUI/Guib/src/keywidgets.itcl\nq-e-qe-7.6/GUI/Guib/src/keywordObj.itcl\nq-e-qe-7.6/GUI/Guib/src/moduleObj.itcl\nq-e-qe-7.6/GUI/Guib/src/open.itcl\nq-e-qe-7.6/GUI/Guib/src/optionmenuhelp.itcl\nq-e-qe-7.6/GUI/Guib/src/radioboxhelp.itcl\nq-e-qe-7.6/GUI/Guib/src/save.itcl\nq-e-qe-7.6/GUI/Guib/src/simpleGui.itcl\nq-e-qe-7.6/GUI/Guib/src/spininthelp.itcl\nq-e-qe-7.6/GUI/Guib/src/store.itcl\nq-e-qe-7.6/GUI/Guib/src/table.itcl\nq-e-qe-7.6/GUI/Guib/src/tclIndex\nq-e-qe-7.6/GUI/Guib/src/text.itcl\nq-e-qe-7.6/GUI/Guib/src/validate.itcl\nq-e-qe-7.6/GUI/Guib/src/widgets.itcl\nq-e-qe-7.6/GUI/Guib/sys_utils/\nq-e-qe-7.6/GUI/Guib/sys_utils/mgt.tabs\nq-e-qe-7.6/GUI/Guib/sys_utils/repack.sh\nq-e-qe-7.6/GUI/Makefile\nq-e-qe-7.6/GUI/PWgui/\nq-e-qe-7.6/GUI/PWgui/AUTHORS\nq-e-qe-7.6/GUI/PWgui/BUGS\nq-e-qe-7.6/GUI/PWgui/COPYING\nq-e-qe-7.6/GUI/PWgui/COPYRIGHT\nq-e-qe-7.6/GUI/PWgui/ChangeLog\nq-e-qe-7.6/GUI/PWgui/INSTALL\nq-e-qe-7.6/GUI/PWgui/INSTALL.repository\nq-e-qe-7.6/GUI/PWgui/Makefile\nq-e-qe-7.6/GUI/PWgui/NEWS\nq-e-qe-7.6/GUI/PWgui/README\nq-e-qe-7.6/GUI/PWgui/README.developer\nq-e-qe-7.6/GUI/PWgui/THANKS\nq-e-qe-7.6/GUI/PWgui/TODO\nq-e-qe-7.6/GUI/PWgui/VERSION\nq-e-qe-7.6/GUI/PWgui/doc/\nq-e-qe-7.6/GUI/PWgui/doc/Makefile\nq-e-qe-7.6/GUI/PWgui/doc/htmlise.sh\nq-e-qe-7.6/GUI/PWgui/examples/\nq-e-qe-7.6/GUI/PWgui/examples/atomic/\nq-e-qe-7.6/GUI/PWgui/examples/atomic/pt.all_electron.in\nq-e-qe-7.6/GUI/PWgui/examples/atomic/pt.pseudo_gen.in\nq-e-qe-7.6/GUI/PWgui/examples/atomic/rh.pseudo_test.in\nq-e-qe-7.6/GUI/PWgui/examples/d3/\nq-e-qe-7.6/GUI/PWgui/examples/d3/sample.d3.inp\nq-e-qe-7.6/GUI/PWgui/examples/neb.dat/\nq-e-qe-7.6/GUI/PWgui/examples/neb.dat/neb.dat\nq-e-qe-7.6/GUI/PWgui/examples/ph/\nq-e-qe-7.6/GUI/PWgui/examples/ph/sample.ph.inp\nq-e-qe-7.6/GUI/PWgui/examples/pp/\nq-e-qe-7.6/GUI/PWgui/examples/pp/psi2-noncolin.pp.in\nq-e-qe-7.6/GUI/PWgui/examples/pp/psi2-v2.pp.inp\nq-e-qe-7.6/GUI/PWgui/examples/pp/psi2.pp.inp\nq-e-qe-7.6/GUI/PWgui/examples/projwfc/\nq-e-qe-7.6/GUI/PWgui/examples/projwfc/sample.pr.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/\nq-e-qe-7.6/GUI/PWgui/examples/pw/Si_band.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/Si_scf.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/abc.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/addit-k-points.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/additional_k_points\nq-e-qe-7.6/GUI/PWgui/examples/pw/al.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/al.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/atomic_positions\nq-e-qe-7.6/GUI/PWgui/examples/pw/cu.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/cu.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/hubbard+occup.pw.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/hubbard.pw.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/k_points\nq-e-qe-7.6/GUI/PWgui/examples/pw/ni.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/ni.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/occup+hubbard.pw.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/occupations.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/sample.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/si.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/si.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/vdw_corr.in\nq-e-qe-7.6/GUI/PWgui/external/\nq-e-qe-7.6/GUI/PWgui/external/lib/\nq-e-qe-7.6/GUI/PWgui/external/lib/Makefile\nq-e-qe-7.6/GUI/PWgui/external/lib/license.terms\nq-e-qe-7.6/GUI/PWgui/external/src/\nq-e-qe-7.6/GUI/PWgui/external/src/Makefile\nq-e-qe-7.6/GUI/PWgui/external/src/license.terms\nq-e-qe-7.6/GUI/PWgui/external/src/tkAppInit.c\nq-e-qe-7.6/GUI/PWgui/header.tcl\nq-e-qe-7.6/GUI/PWgui/images/\nq-e-qe-7.6/GUI/PWgui/images/license.terms\nq-e-qe-7.6/GUI/PWgui/images/pwgui-logo.gif\nq-e-qe-7.6/GUI/PWgui/images/pwgui-logo.xcf.bz2\nq-e-qe-7.6/GUI/PWgui/images/pwscf-logo.gif\nq-e-qe-7.6/GUI/PWgui/init.tcl\nq-e-qe-7.6/GUI/PWgui/lib/\nq-e-qe-7.6/GUI/PWgui/lib/.dont-delete\nq-e-qe-7.6/GUI/PWgui/make.usage\nq-e-qe-7.6/GUI/PWgui/modules/\nq-e-qe-7.6/GUI/PWgui/modules/atomic/\nq-e-qe-7.6/GUI/PWgui/modules/atomic/atomic-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/atomic/atomic-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/atomic/atomic.tcl\nq-e-qe-7.6/GUI/PWgui/modules/atomic/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/\nq-e-qe-7.6/GUI/PWgui/modules/bands/bands-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/bands-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/bands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/\nq-e-qe-7.6/GUI/PWgui/modules/d3/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/d3-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/d3-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/d3.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/\nq-e-qe-7.6/GUI/PWgui/modules/dos/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/dos-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/dos-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/dos.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/\nq-e-qe-7.6/GUI/PWgui/modules/hp/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/hp-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/hp-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/hp.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/\nq-e-qe-7.6/GUI/PWgui/modules/neb/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/neb-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/neb-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/neb.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/\nq-e-qe-7.6/GUI/PWgui/modules/ph/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/ph-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/ph-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/ph.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/\nq-e-qe-7.6/GUI/PWgui/modules/pp/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/pp-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/pp-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/pp.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/projwfc-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/projwfc-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/projwfc.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/\nq-e-qe-7.6/GUI/PWgui/modules/pw/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/pw-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/pw-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/pw.tcl\nq-e-qe-7.6/GUI/PWgui/pwgui\nq-e-qe-7.6/GUI/PWgui/pwgui.bat\nq-e-qe-7.6/GUI/PWgui/pwgui.settings\nq-e-qe-7.6/GUI/PWgui/pwgui.tcl\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/MakeDir.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/Makefile\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/README\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/darwin-ppc.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/linux-x86.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/linux-x86_64.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/make.darwin\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/make.linux\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/make.win32\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/win32.sh\nq-e-qe-7.6/GUI/PWgui/src/\nq-e-qe-7.6/GUI/PWgui/src/Makefile\nq-e-qe-7.6/GUI/PWgui/src/about.html\nq-e-qe-7.6/GUI/PWgui/src/aindex\nq-e-qe-7.6/GUI/PWgui/src/auxil.itcl\nq-e-qe-7.6/GUI/PWgui/src/edit.itcl\nq-e-qe-7.6/GUI/PWgui/src/init.itcl\nq-e-qe-7.6/GUI/PWgui/src/menustate.itcl\nq-e-qe-7.6/GUI/PWgui/src/modutil.itcl\nq-e-qe-7.6/GUI/PWgui/src/pwscf.itcl\nq-e-qe-7.6/GUI/PWgui/src/pwscf.theme\nq-e-qe-7.6/GUI/PWgui/src/run.itcl\nq-e-qe-7.6/GUI/PWgui/src/settings.itcl\nq-e-qe-7.6/GUI/PWgui/src/tclIndex\nq-e-qe-7.6/GUI/PWgui/src/view.itcl\nq-e-qe-7.6/GUI/PWgui/sys_utils/\nq-e-qe-7.6/GUI/PWgui/sys_utils/bin.sh\nq-e-qe-7.6/GUI/PWgui/sys_utils/make.guib\nq-e-qe-7.6/GUI/PWgui/sys_utils/publish.sh\nq-e-qe-7.6/GUI/PWgui/sys_utils/repack.sh\nq-e-qe-7.6/GUI/PWgui/sys_utils/starkit.sh\nq-e-qe-7.6/GUI/PWgui/tests/\nq-e-qe-7.6/GUI/PWgui/tests/run-tests.sh\nq-e-qe-7.6/GUI/QE-modes/\nq-e-qe-7.6/GUI/QE-modes/Doc/\nq-e-qe-7.6/GUI/QE-modes/Doc/Makefile\nq-e-qe-7.6/GUI/QE-modes/Doc/highlight.png\nq-e-qe-7.6/GUI/QE-modes/Doc/insert-template.png\nq-e-qe-7.6/GUI/QE-modes/Doc/user_guide.pdf\nq-e-qe-7.6/GUI/QE-modes/Doc/user_guide.tex\nq-e-qe-7.6/GUI/QE-modes/Makefile\nq-e-qe-7.6/GUI/QE-modes/README\nq-e-qe-7.6/GUI/QE-modes/README.repository\nq-e-qe-7.6/GUI/QE-modes/THANKS\nq-e-qe-7.6/GUI/QE-modes/install.sh\nq-e-qe-7.6/GUI/QE-modes/qe-modes.emacs\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/README\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/autoload-specific.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/bands.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/card-noflags.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/card.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/cp.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/dos.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/dynmat.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/header.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/insert-template.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/ld1.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/namelist.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/neb.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/ph.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/pp.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/projwfc.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/pw.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/pwtk-mode.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-all-modes.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-all-modes.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-funcs.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-mode.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-modes.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/stringvar.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/supercard-open.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/supercard.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/var.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes/\nq-e-qe-7.6/GUI/QE-modes/qe-modes/cp-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/ld1-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/neb-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/ph-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/pp-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/pw-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/pwtk-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/qe-funcs.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/qe-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/qe-modes.el\nq-e-qe-7.6/GUI/README\nq-e-qe-7.6/GWW/\nq-e-qe-7.6/GWW/CMakeLists.txt\nq-e-qe-7.6/GWW/Makefile\nq-e-qe-7.6/GWW/bse/\nq-e-qe-7.6/GWW/bse/Makefile\nq-e-qe-7.6/GWW/bse/absorption.f90\nq-e-qe-7.6/GWW/bse/bse_basic_structure.f90\nq-e-qe-7.6/GWW/bse/bse_main.f90\nq-e-qe-7.6/GWW/bse/bse_wannier.f90\nq-e-qe-7.6/GWW/bse/cgsolve.f90\nq-e-qe-7.6/GWW/bse/check_basis.f90\nq-e-qe-7.6/GWW/bse/conj_grad_stuff.f90\nq-e-qe-7.6/GWW/bse/conjgrad.f90\nq-e-qe-7.6/GWW/bse/contract_w_exc.f90\nq-e-qe-7.6/GWW/bse/diago_exc.f90\nq-e-qe-7.6/GWW/bse/direct_v_exc.f90\nq-e-qe-7.6/GWW/bse/direct_w_exc.f90\nq-e-qe-7.6/GWW/bse/direct_www.f90\nq-e-qe-7.6/GWW/bse/dvpsi_bse.f90\nq-e-qe-7.6/GWW/bse/exc_h_a.f90\nq-e-qe-7.6/GWW/bse/exchange_exc.f90\nq-e-qe-7.6/GWW/bse/exciton.f90\nq-e-qe-7.6/GWW/bse/find_eig.f90\nq-e-qe-7.6/GWW/bse/h_h.f90\nq-e-qe-7.6/GWW/bse/lanczos.f90\nq-e-qe-7.6/GWW/bse/openfil_bse.f90\nq-e-qe-7.6/GWW/bse/plot_excwfn.f90\nq-e-qe-7.6/GWW/bse/print_bse.f90\nq-e-qe-7.6/GWW/bse/print_spectrum.f90\nq-e-qe-7.6/GWW/bse/qpcorrections.f90\nq-e-qe-7.6/GWW/bse/qpe_exc.f90\nq-e-qe-7.6/GWW/bse/read_export.f90\nq-e-qe-7.6/GWW/bse/rotate_wannier.f90\nq-e-qe-7.6/GWW/bse/sdescent.f90\nq-e-qe-7.6/GWW/bse/spectrum.f90\nq-e-qe-7.6/GWW/bse/start_bse.f90\nq-e-qe-7.6/GWW/bse/tmp.f90\nq-e-qe-7.6/GWW/bse/transitions.f90\nq-e-qe-7.6/GWW/bse/tspace.f90\nq-e-qe-7.6/GWW/bse/write_wannier_matrix.f90\nq-e-qe-7.6/GWW/doc/\nq-e-qe-7.6/GWW/doc/README\nq-e-qe-7.6/GWW/doc/make.sys_SCALAPACK\nq-e-qe-7.6/GWW/examples/\nq-e-qe-7.6/GWW/examples/README\nq-e-qe-7.6/GWW/examples/example01/\nq-e-qe-7.6/GWW/examples/example01/methane_gww.in\nq-e-qe-7.6/GWW/examples/example01/methane_gww_steps.in\nq-e-qe-7.6/GWW/examples/example01/methane_pw4gww.in\nq-e-qe-7.6/GWW/examples/example01/methane_pw4gww_basis.in\nq-e-qe-7.6/GWW/examples/example01/methane_pw4gww_steps.in\nq-e-qe-7.6/GWW/examples/example01/methane_scf.in\nq-e-qe-7.6/GWW/examples/example01/methane_scf_25.in\nq-e-qe-7.6/GWW/examples/example01/methane_scf_35.in\nq-e-qe-7.6/GWW/examples/example01/reference/\nq-e-qe-7.6/GWW/examples/example01/reference/methane_gww.out\nq-e-qe-7.6/GWW/examples/example01/reference/methane_pw4gww.out\nq-e-qe-7.6/GWW/examples/example01/reference/methane_scf.out\nq-e-qe-7.6/GWW/examples/example01/run_example\nq-e-qe-7.6/GWW/examples/example02/\nq-e-qe-7.6/GWW/examples/example02/reference/\nq-e-qe-7.6/GWW/examples/example02/reference/si_gww.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_head.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_nscf.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_pw4gww.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_scf_k.out\nq-e-qe-7.6/GWW/examples/example02/run_example\nq-e-qe-7.6/GWW/examples/example02/si_gww.in\nq-e-qe-7.6/GWW/examples/example02/si_head.in\nq-e-qe-7.6/GWW/examples/example02/si_nscf.in\nq-e-qe-7.6/GWW/examples/example02/si_pw4gww.in\nq-e-qe-7.6/GWW/examples/example02/si_pw4gww_planewaves.in\nq-e-qe-7.6/GWW/examples/example02/si_scf_k.in\nq-e-qe-7.6/GWW/examples/example03/\nq-e-qe-7.6/GWW/examples/example03/run_example\nq-e-qe-7.6/GWW/examples/example04/\nq-e-qe-7.6/GWW/examples/example04/Ag_ONCV_PBE-1.0.upf\nq-e-qe-7.6/GWW/examples/example04/README\nq-e-qe-7.6/GWW/examples/example04/reference/\nq-e-qe-7.6/GWW/examples/example04/reference/ag.dos_broadening.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eels.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_inter_im.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_inter_re.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_tot_im.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_tot_re.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.jdos.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.optical_constants.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag_nscf.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_nscf.out\nq-e-qe-7.6/GWW/examples/example04/reference/ag_scf.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_scf.out\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple.out\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple_ip.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple_ip.out\nq-e-qe-7.6/GWW/examples/example04/reference/pippo.txt\nq-e-qe-7.6/GWW/examples/example04/run_example\nq-e-qe-7.6/GWW/examples/example05/\nq-e-qe-7.6/GWW/examples/example05/reference/\nq-e-qe-7.6/GWW/examples/example05/reference/ab_coeff.dat\nq-e-qe-7.6/GWW/examples/example05/reference/abcoeff_to_eps.in\nq-e-qe-7.6/GWW/examples/example05/reference/abcoeff_to_eps.tmp\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps1x.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps1y.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps1z.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps2x.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps2y.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps2z.dat\nq-e-qe-7.6/GWW/examples/example05/reference/si_gww.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_gww.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_head.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_head.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf_k.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf_k.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_pw4gww.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_pw4gww.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_scf_k.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_scf_k.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple_bse.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple_bse.out\nq-e-qe-7.6/GWW/examples/example05/run_example\nq-e-qe-7.6/GWW/examples/example06/\nq-e-qe-7.6/GWW/examples/example06/reference/\nq-e-qe-7.6/GWW/examples/example06/reference/silane_bse.out\nq-e-qe-7.6/GWW/examples/example06/reference/silane_pw4gww.out\nq-e-qe-7.6/GWW/examples/example06/reference/silane_scf.out\nq-e-qe-7.6/GWW/examples/example06/run_example\nq-e-qe-7.6/GWW/gww/\nq-e-qe-7.6/GWW/gww/Makefile\nq-e-qe-7.6/GWW/gww/basic_structures.f90\nq-e-qe-7.6/GWW/gww/compact_product.f90\nq-e-qe-7.6/GWW/gww/contour.f90\nq-e-qe-7.6/GWW/gww/create_hf.f90\nq-e-qe-7.6/GWW/gww/create_quasi_particle.f90\nq-e-qe-7.6/GWW/gww/create_quasi_particle_off.f90\nq-e-qe-7.6/GWW/gww/do_contour.f90\nq-e-qe-7.6/GWW/gww/do_polarization_lanczos.f90\nq-e-qe-7.6/GWW/gww/do_self_lanczos.f90\nq-e-qe-7.6/GWW/gww/do_self_lanczos_full.f90\nq-e-qe-7.6/GWW/gww/do_self_lanczos_time.f90\nq-e-qe-7.6/GWW/gww/energies_gww.f90\nq-e-qe-7.6/GWW/gww/expansion.f90\nq-e-qe-7.6/GWW/gww/fft_gw.f90\nq-e-qe-7.6/GWW/gww/fit_multipole.f90\nq-e-qe-7.6/GWW/gww/fit_polynomial.f90\nq-e-qe-7.6/GWW/gww/go_dressed_w.f90\nq-e-qe-7.6/GWW/gww/go_exchange.f90\nq-e-qe-7.6/GWW/gww/go_fft.f90\nq-e-qe-7.6/GWW/gww/go_green.f90\nq-e-qe-7.6/GWW/gww/go_polarization.f90\nq-e-qe-7.6/GWW/gww/green_function.f90\nq-e-qe-7.6/GWW/gww/gv_time.f90\nq-e-qe-7.6/GWW/gww/gww.f90\nq-e-qe-7.6/GWW/gww/gww_fit.f90\nq-e-qe-7.6/GWW/gww/input_gw.f90\nq-e-qe-7.6/GWW/gww/lanczos_polarization.f90\nq-e-qe-7.6/GWW/gww/para_gww.f90\nq-e-qe-7.6/GWW/gww/polarization.f90\nq-e-qe-7.6/GWW/gww/read_data_pw.f90\nq-e-qe-7.6/GWW/gww/remainder.f90\nq-e-qe-7.6/GWW/gww/self_energy.f90\nq-e-qe-7.6/GWW/gww/self_energy_storage.f90\nq-e-qe-7.6/GWW/gww/start_end.f90\nq-e-qe-7.6/GWW/gww/times_gw.f90\nq-e-qe-7.6/GWW/gww/vcprim.f90\nq-e-qe-7.6/GWW/head/\nq-e-qe-7.6/GWW/head/Makefile\nq-e-qe-7.6/GWW/head/bcast_gwl_input.f90\nq-e-qe-7.6/GWW/head/close_gwl.f90\nq-e-qe-7.6/GWW/head/gwl_readin.f90\nq-e-qe-7.6/GWW/head/head.f90\nq-e-qe-7.6/GWW/head/lanczos_k.f90\nq-e-qe-7.6/GWW/head/openfilq_gwl.f90\nq-e-qe-7.6/GWW/head/solve_head.f90\nq-e-qe-7.6/GWW/minpack/\nq-e-qe-7.6/GWW/minpack/Makefile\nq-e-qe-7.6/GWW/minpack/dpmpar.f90\nq-e-qe-7.6/GWW/minpack/enorm.f90\nq-e-qe-7.6/GWW/minpack/fdjac2.f90\nq-e-qe-7.6/GWW/minpack/lmder.f90\nq-e-qe-7.6/GWW/minpack/lmder1.f90\nq-e-qe-7.6/GWW/minpack/lmdif.f90\nq-e-qe-7.6/GWW/minpack/lmdif1.f90\nq-e-qe-7.6/GWW/minpack/lmpar.f90\nq-e-qe-7.6/GWW/minpack/mlagzo.f90\nq-e-qe-7.6/GWW/minpack/mlegzo.f90\nq-e-qe-7.6/GWW/minpack/qrfac.f90\nq-e-qe-7.6/GWW/minpack/qrsolv.f90\nq-e-qe-7.6/GWW/minpack/test.f90\nq-e-qe-7.6/GWW/pw4gww/\nq-e-qe-7.6/GWW/pw4gww/Makefile\nq-e-qe-7.6/GWW/pw4gww/allocate_wannier.f90\nq-e-qe-7.6/GWW/pw4gww/calculate_wing.f90\nq-e-qe-7.6/GWW/pw4gww/cgsolve_all_gamma.f90\nq-e-qe-7.6/GWW/pw4gww/contour_terms.f90\nq-e-qe-7.6/GWW/pw4gww/convergence.f90\nq-e-qe-7.6/GWW/pw4gww/dft_exchange.f90\nq-e-qe-7.6/GWW/pw4gww/diago_cg.f90\nq-e-qe-7.6/GWW/pw4gww/diago_cg_g.f90\nq-e-qe-7.6/GWW/pw4gww/easy_gw.f90\nq-e-qe-7.6/GWW/pw4gww/energies_xc.f90\nq-e-qe-7.6/GWW/pw4gww/exchange_custom.f90\nq-e-qe-7.6/GWW/pw4gww/fake_conduction.f90\nq-e-qe-7.6/GWW/pw4gww/fft_custom.f90\nq-e-qe-7.6/GWW/pw4gww/full.f90\nq-e-qe-7.6/GWW/pw4gww/gww_realus.f90\nq-e-qe-7.6/GWW/pw4gww/hpsi_pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/lanczos_chains.f90\nq-e-qe-7.6/GWW/pw4gww/matrix_wannier_gamma.f90\nq-e-qe-7.6/GWW/pw4gww/mp_wave_parallel.f90\nq-e-qe-7.6/GWW/pw4gww/o_1psi.f90\nq-e-qe-7.6/GWW/pw4gww/o_bands.f90\nq-e-qe-7.6/GWW/pw4gww/o_rinitcgg.f90\nq-e-qe-7.6/GWW/pw4gww/openfil_pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/operator_1_vp.f90\nq-e-qe-7.6/GWW/pw4gww/operator_debug.f90\nq-e-qe-7.6/GWW/pw4gww/optimal.f90\nq-e-qe-7.6/GWW/pw4gww/pola_lanczos.f90\nq-e-qe-7.6/GWW/pw4gww/pola_partial.f90\nq-e-qe-7.6/GWW/pw4gww/produce_wannier_gamma.f90\nq-e-qe-7.6/GWW/pw4gww/pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/rotate_wannier.f90\nq-e-qe-7.6/GWW/pw4gww/self_lanczos.f90\nq-e-qe-7.6/GWW/pw4gww/semicore.f90\nq-e-qe-7.6/GWW/pw4gww/semicore_read.f90\nq-e-qe-7.6/GWW/pw4gww/start_pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/stop_pp.f90\nq-e-qe-7.6/GWW/pw4gww/v_basis.f90\nq-e-qe-7.6/GWW/pw4gww/wannier.f90\nq-e-qe-7.6/GWW/pw4gww/wannier_bse.f90\nq-e-qe-7.6/GWW/pw4gww/wannier_uterms.f90\nq-e-qe-7.6/GWW/pw4gww/wfc_real.f90\nq-e-qe-7.6/GWW/pw4gww/write_vpot_matrix.f90\nq-e-qe-7.6/GWW/pw4gww/write_wannier_matrix.f90\nq-e-qe-7.6/GWW/simple/\nq-e-qe-7.6/GWW/simple/Makefile\nq-e-qe-7.6/GWW/simple/commutator.f90\nq-e-qe-7.6/GWW/simple/epe.f90\nq-e-qe-7.6/GWW/simple/gk_sort_limit.f90\nq-e-qe-7.6/GWW/simple/input_simple.f90\nq-e-qe-7.6/GWW/simple/khamiltonian.f90\nq-e-qe-7.6/GWW/simple/openfile_simple.f90\nq-e-qe-7.6/GWW/simple/product_basis.f90\nq-e-qe-7.6/GWW/simple/read_export.f90\nq-e-qe-7.6/GWW/simple/simple.f90\nq-e-qe-7.6/GWW/simple/stop_pp.f90\nq-e-qe-7.6/GWW/simple/v_product.f90\nq-e-qe-7.6/GWW/simple/wfc_basis.f90\nq-e-qe-7.6/GWW/simple_bse/\nq-e-qe-7.6/GWW/simple_bse/Makefile\nq-e-qe-7.6/GWW/simple_bse/build_eemat.f90\nq-e-qe-7.6/GWW/simple_bse/derived_object.f90\nq-e-qe-7.6/GWW/simple_bse/diago_exc_cg.f90\nq-e-qe-7.6/GWW/simple_bse/diago_exc_sd.f90\nq-e-qe-7.6/GWW/simple_bse/hamiltonian.f90\nq-e-qe-7.6/GWW/simple_bse/input_simple_exc.f90\nq-e-qe-7.6/GWW/simple_bse/lanczos.f90\nq-e-qe-7.6/GWW/simple_bse/simple_bse.f90\nq-e-qe-7.6/GWW/simple_bse/simple_eigen.f90\nq-e-qe-7.6/GWW/simple_bse/simple_object.f90\nq-e-qe-7.6/GWW/simple_bse/spectrum.f90\nq-e-qe-7.6/GWW/simple_bse/start_end.f90\nq-e-qe-7.6/GWW/simple_ip/\nq-e-qe-7.6/GWW/simple_ip/Makefile\nq-e-qe-7.6/GWW/simple_ip/diagonalization.f90\nq-e-qe-7.6/GWW/simple_ip/dielectric.f90\nq-e-qe-7.6/GWW/simple_ip/input_simple_ip.f90\nq-e-qe-7.6/GWW/simple_ip/interpolation.f90\nq-e-qe-7.6/GWW/simple_ip/simple_ip.f90\nq-e-qe-7.6/GWW/simple_ip/simple_ip_objects.f90\nq-e-qe-7.6/GWW/simple_ip/start_end.f90\nq-e-qe-7.6/GWW/simple_ip/tetra_mod1.f90\nq-e-qe-7.6/GWW/simple_ip/tetra_mod2.f90\nq-e-qe-7.6/GWW/util/\nq-e-qe-7.6/GWW/util/Makefile\nq-e-qe-7.6/GWW/util/abcoeff_to_eps.f90\nq-e-qe-7.6/GWW/util/graph.f90\nq-e-qe-7.6/GWW/util/memory_pw4gww.f90\nq-e-qe-7.6/HP/\nq-e-qe-7.6/HP/CMakeLists.txt\nq-e-qe-7.6/HP/Doc/\nq-e-qe-7.6/HP/Doc/INPUT_HP.def\nq-e-qe-7.6/HP/Doc/Makefile\nq-e-qe-7.6/HP/Doc/README\nq-e-qe-7.6/HP/Makefile\nq-e-qe-7.6/HP/examples/\nq-e-qe-7.6/HP/examples/README\nq-e-qe-7.6/HP/examples/clean_all\nq-e-qe-7.6/HP/examples/example01/\nq-e-qe-7.6/HP/examples/example01/reference/\nq-e-qe-7.6/HP/examples/example01/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example01/reference/LiCoO2.hp.in\nq-e-qe-7.6/HP/examples/example01/reference/LiCoO2.scf.in\nq-e-qe-7.6/HP/examples/example01/run_example\nq-e-qe-7.6/HP/examples/example02/\nq-e-qe-7.6/HP/examples/example02/README\nq-e-qe-7.6/HP/examples/example02/reference/\nq-e-qe-7.6/HP/examples/example02/reference/NiO.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example02/reference/NiO.hp.in\nq-e-qe-7.6/HP/examples/example02/reference/NiO.scf1.in\nq-e-qe-7.6/HP/examples/example02/reference/NiO.scf2.in\nq-e-qe-7.6/HP/examples/example02/run_example1\nq-e-qe-7.6/HP/examples/example02/run_example2\nq-e-qe-7.6/HP/examples/example03/\nq-e-qe-7.6/HP/examples/example03/reference/\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.hp.in\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.scf1.in\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.scf2.in\nq-e-qe-7.6/HP/examples/example03/run_example\nq-e-qe-7.6/HP/examples/example04/\nq-e-qe-7.6/HP/examples/example04/reference/\nq-e-qe-7.6/HP/examples/example04/reference/Ni.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example04/reference/Ni.hp.in\nq-e-qe-7.6/HP/examples/example04/reference/Ni.scf.in\nq-e-qe-7.6/HP/examples/example04/run_example\nq-e-qe-7.6/HP/examples/example05/\nq-e-qe-7.6/HP/examples/example05/reference/\nq-e-qe-7.6/HP/examples/example05/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example05/reference/LiCoO2.hp.in\nq-e-qe-7.6/HP/examples/example05/reference/LiCoO2.scf.in\nq-e-qe-7.6/HP/examples/example05/run_example\nq-e-qe-7.6/HP/examples/example06/\nq-e-qe-7.6/HP/examples/example06/reference/\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.hp.Mn.in\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.hp.Ni.in\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.hp.final.in\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.scf.in\nq-e-qe-7.6/HP/examples/example06/run_example\nq-e-qe-7.6/HP/examples/example07/\nq-e-qe-7.6/HP/examples/example07/reference/\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step1.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step2.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step3.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step1.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step2.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step3.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.final.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.scf.in\nq-e-qe-7.6/HP/examples/example07/run_example\nq-e-qe-7.6/HP/examples/example08/\nq-e-qe-7.6/HP/examples/example08/reference/\nq-e-qe-7.6/HP/examples/example08/reference/NiO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example08/reference/NiO2.hp.in\nq-e-qe-7.6/HP/examples/example08/reference/NiO2.scf.in\nq-e-qe-7.6/HP/examples/example08/run_example\nq-e-qe-7.6/HP/examples/example09/\nq-e-qe-7.6/HP/examples/example09/reference/\nq-e-qe-7.6/HP/examples/example09/reference/CoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example09/reference/CoO2.hp.in\nq-e-qe-7.6/HP/examples/example09/reference/CoO2.scf.in\nq-e-qe-7.6/HP/examples/example09/run_example\nq-e-qe-7.6/HP/examples/example10/\nq-e-qe-7.6/HP/examples/example10/reference/\nq-e-qe-7.6/HP/examples/example10/reference/HUBBARD.dat\nq-e-qe-7.6/HP/examples/example10/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example10/reference/LiCoO2.hp.in\nq-e-qe-7.6/HP/examples/example10/reference/LiCoO2.scf.in\nq-e-qe-7.6/HP/examples/example10/run_example\nq-e-qe-7.6/HP/examples/run_all_examples\nq-e-qe-7.6/HP/src/\nq-e-qe-7.6/HP/src/Makefile\nq-e-qe-7.6/HP/src/hp_R_points.f90\nq-e-qe-7.6/HP/src/hp_allocate_q.f90\nq-e-qe-7.6/HP/src/hp_bcast_input.f90\nq-e-qe-7.6/HP/src/hp_calc_chi.f90\nq-e-qe-7.6/HP/src/hp_check_pert.f90\nq-e-qe-7.6/HP/src/hp_check_type.f90\nq-e-qe-7.6/HP/src/hp_clean_q.f90\nq-e-qe-7.6/HP/src/hp_close_q.f90\nq-e-qe-7.6/HP/src/hp_dealloc_1.f90\nq-e-qe-7.6/HP/src/hp_dealloc_2.f90\nq-e-qe-7.6/HP/src/hp_dealloc_q.f90\nq-e-qe-7.6/HP/src/hp_dnsq.f90\nq-e-qe-7.6/HP/src/hp_dnstot_sum_q.f90\nq-e-qe-7.6/HP/src/hp_dvpsi_pert.f90\nq-e-qe-7.6/HP/src/hp_find_inequiv_sites.f90\nq-e-qe-7.6/HP/src/hp_generate_grids.f90\nq-e-qe-7.6/HP/src/hp_init.f90\nq-e-qe-7.6/HP/src/hp_init_q.f90\nq-e-qe-7.6/HP/src/hp_load_q.f90\nq-e-qe-7.6/HP/src/hp_main.f90\nq-e-qe-7.6/HP/src/hp_ns_trace.f90\nq-e-qe-7.6/HP/src/hp_openfil_q.f90\nq-e-qe-7.6/HP/src/hp_postproc.f90\nq-e-qe-7.6/HP/src/hp_prepare_q.f90\nq-e-qe-7.6/HP/src/hp_print_clock.f90\nq-e-qe-7.6/HP/src/hp_psym_dmag.f90\nq-e-qe-7.6/HP/src/hp_psymdvscf.f90\nq-e-qe-7.6/HP/src/hp_q_points.f90\nq-e-qe-7.6/HP/src/hp_read_chi.f90\nq-e-qe-7.6/HP/src/hp_read_dnsq.f90\nq-e-qe-7.6/HP/src/hp_readin.f90\nq-e-qe-7.6/HP/src/hp_rotate_dnsq.f90\nq-e-qe-7.6/HP/src/hp_run_nscf.f90\nq-e-qe-7.6/HP/src/hp_setup_q.f90\nq-e-qe-7.6/HP/src/hp_solve_linear_system.f90\nq-e-qe-7.6/HP/src/hp_stop_smoothly.f90\nq-e-qe-7.6/HP/src/hp_summary.f90\nq-e-qe-7.6/HP/src/hp_summary_q.f90\nq-e-qe-7.6/HP/src/hp_sym_dmag.f90\nq-e-qe-7.6/HP/src/hp_symdnsq.f90\nq-e-qe-7.6/HP/src/hp_symdvscf.f90\nq-e-qe-7.6/HP/src/hp_write_chi.f90\nq-e-qe-7.6/HP/src/hp_write_chi_full.f90\nq-e-qe-7.6/HP/src/hp_write_dnsq.f90\nq-e-qe-7.6/HP/src/hpcom.f90\nq-e-qe-7.6/KCW/\nq-e-qe-7.6/KCW/CMakeLists.txt\nq-e-qe-7.6/KCW/Doc/\nq-e-qe-7.6/KCW/Doc/INPUT_kcw.def\nq-e-qe-7.6/KCW/Doc/Makefile\nq-e-qe-7.6/KCW/Doc/input_xx.xsl\nq-e-qe-7.6/KCW/Makefile\nq-e-qe-7.6/KCW/PP/\nq-e-qe-7.6/KCW/PP/CMakeLists.txt\nq-e-qe-7.6/KCW/PP/Makefile\nq-e-qe-7.6/KCW/PP/bcast_kcw_pp_input.f90\nq-e-qe-7.6/KCW/PP/compute_self_hartree.f90\nq-e-qe-7.6/KCW/PP/input_pp_summary.f90\nq-e-qe-7.6/KCW/PP/interp_r_to_k.f90\nq-e-qe-7.6/KCW/PP/kcw_bands.f90\nq-e-qe-7.6/KCW/PP/kcw_pp_readin.f90\nq-e-qe-7.6/KCW/PP/makedeps.sh\nq-e-qe-7.6/KCW/PP/merge_Umat.f90\nq-e-qe-7.6/KCW/PP/merge_wann.f90\nq-e-qe-7.6/KCW/PP/read_hr.f90\nq-e-qe-7.6/KCW/PP/sh_setup.f90\nq-e-qe-7.6/KCW/PP/ups.f90\nq-e-qe-7.6/KCW/diff_7.2-7.1.txt\nq-e-qe-7.6/KCW/diff_wrt_v7.1.txt\nq-e-qe-7.6/KCW/examples/\nq-e-qe-7.6/KCW/examples/.gitignore\nq-e-qe-7.6/KCW/examples/example01/\nq-e-qe-7.6/KCW/examples/example01/README\nq-e-qe-7.6/KCW/examples/example01/compare.sh\nq-e-qe-7.6/KCW/examples/example01/reference/\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example01/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example01/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example01/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example01/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example01/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example01/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example01/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example01/run_example\nq-e-qe-7.6/KCW/examples/example01_sym/\nq-e-qe-7.6/KCW/examples/example01_sym/README\nq-e-qe-7.6/KCW/examples/example01_sym/compare.sh\nq-e-qe-7.6/KCW/examples/example01_sym/compare_nosym.sh\nq-e-qe-7.6/KCW/examples/example01_sym/reference/\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example01_sym/run_example\nq-e-qe-7.6/KCW/examples/example02/\nq-e-qe-7.6/KCW/examples/example02/README\nq-e-qe-7.6/KCW/examples/example02/compare.sh\nq-e-qe-7.6/KCW/examples/example02/reference/\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.scf.out\nq-e-qe-7.6/KCW/examples/example02/run_example\nq-e-qe-7.6/KCW/examples/example03/\nq-e-qe-7.6/KCW/examples/example03/compare.sh\nq-e-qe-7.6/KCW/examples/example03/reference/\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcwpp_bands.dat\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcwpp_interp.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcwpp_sh.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example03/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example03/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example03/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example03/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example03/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example03/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example03/run_example\nq-e-qe-7.6/KCW/examples/example04/\nq-e-qe-7.6/KCW/examples/example04/README\nq-e-qe-7.6/KCW/examples/example04/compare.sh\nq-e-qe-7.6/KCW/examples/example04/reference/\nq-e-qe-7.6/KCW/examples/example04/reference/GaAs.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example04/reference/GaAs.nscf.out\nq-e-qe-7.6/KCW/examples/example04/reference/GaAs.scf.out\nq-e-qe-7.6/KCW/examples/example04/reference/kc.kho\nq-e-qe-7.6/KCW/examples/example04/reference/kc.w2ko\nq-e-qe-7.6/KCW/examples/example04/reference/merge_U.out\nq-e-qe-7.6/KCW/examples/example04/reference/merge_centres.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_u.mat\nq-e-qe-7.6/KCW/examples/example04/reference_1block/\nq-e-qe-7.6/KCW/examples/example04/reference_1block/GaAs.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example04/reference_1block/GaAs.nscf.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/GaAs.scf.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/kc.kho\nq-e-qe-7.6/KCW/examples/example04/reference_1block/kc.w2ko\nq-e-qe-7.6/KCW/examples/example04/reference_1block/merge_U.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/merge_centres.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_u.mat\nq-e-qe-7.6/KCW/examples/example04/run_example\nq-e-qe-7.6/KCW/examples/example04/run_example_1block\nq-e-qe-7.6/KCW/examples/example05.1/\nq-e-qe-7.6/KCW/examples/example05.1/README.md\nq-e-qe-7.6/KCW/examples/example05.1/clean_all.sh\nq-e-qe-7.6/KCW/examples/example05.1/compare.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/CRASH\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/CRASH\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/.kc.w2ko.swp\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/pseudo/\nq-e-qe-7.6/KCW/examples/example05.1/pseudo/Si.upf\nq-e-qe-7.6/KCW/examples/example05.1/pseudo/Si_r.upf\nq-e-qe-7.6/KCW/examples/example05.1/run_all.sh\nq-e-qe-7.6/KCW/examples/example05/\nq-e-qe-7.6/KCW/examples/example05/compare.sh\nq-e-qe-7.6/KCW/examples/example05/reference/\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example05/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example05/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example05/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example05/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example05/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example05/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example05/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example05/run_example\nq-e-qe-7.6/KCW/examples/example06/\nq-e-qe-7.6/KCW/examples/example06/README\nq-e-qe-7.6/KCW/examples/example06/compare.sh\nq-e-qe-7.6/KCW/examples/example06/reference/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/file_alpharef.txt\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_U.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_U_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_centre.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_centre_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_emp_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_emp_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/cri3.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/cri3.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/cri3.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/file_alpharef.txt\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_U.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_U_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_centre.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_centre_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_emp_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_emp_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/cri3.scf.out\nq-e-qe-7.6/KCW/examples/example06/run_example\nq-e-qe-7.6/KCW/examples/run_all.sh\nq-e-qe-7.6/KCW/examples/test_io/\nq-e-qe-7.6/KCW/examples/test_io/README\nq-e-qe-7.6/KCW/examples/test_io/example01/\nq-e-qe-7.6/KCW/examples/test_io/example01/compare.sh\nq-e-qe-7.6/KCW/examples/test_io/example01/run_example\nq-e-qe-7.6/KCW/examples/test_io/example02/\nq-e-qe-7.6/KCW/examples/test_io/example02/compare.sh\nq-e-qe-7.6/KCW/examples/test_io/example02/run_example\nq-e-qe-7.6/KCW/examples/test_io/example03/\nq-e-qe-7.6/KCW/examples/test_io/example03/compare.sh\nq-e-qe-7.6/KCW/examples/test_io/example03/run_example\nq-e-qe-7.6/KCW/examples/test_io/run_all.sh\nq-e-qe-7.6/KCW/kcw.md\nq-e-qe-7.6/KCW/src/\nq-e-qe-7.6/KCW/src/CMakeLists.txt\nq-e-qe-7.6/KCW/src/Makefile\nq-e-qe-7.6/KCW/src/alpha_corr.f90\nq-e-qe-7.6/KCW/src/apply_u_matrix.f90\nq-e-qe-7.6/KCW/src/bare_pot.f90\nq-e-qe-7.6/KCW/src/bcast_kcw_input.f90\nq-e-qe-7.6/KCW/src/bcast_wfc.f90\nq-e-qe-7.6/KCW/src/calculate_phase.f90\nq-e-qe-7.6/KCW/src/clean_pw_kcw.f90\nq-e-qe-7.6/KCW/src/close_kcw.f90\nq-e-qe-7.6/KCW/src/compute_map_ikq.f90\nq-e-qe-7.6/KCW/src/compute_map_ikq_single.f90\nq-e-qe-7.6/KCW/src/convert_kpts_names.f90\nq-e-qe-7.6/KCW/src/coulomb.f90\nq-e-qe-7.6/KCW/src/find_IBZ_q.f90\nq-e-qe-7.6/KCW/src/full_ham.f90\nq-e-qe-7.6/KCW/src/group_orbitals.f90\nq-e-qe-7.6/KCW/src/ham_R0_2nd.f90\nq-e-qe-7.6/KCW/src/hamilt.f90\nq-e-qe-7.6/KCW/src/input_summary.f90\nq-e-qe-7.6/KCW/src/interpolation.f90\nq-e-qe-7.6/KCW/src/kcw.f90\nq-e-qe-7.6/KCW/src/kcw_R_points.f90\nq-e-qe-7.6/KCW/src/kcw_allocate_q.f90\nq-e-qe-7.6/KCW/src/kcw_comm.f90\nq-e-qe-7.6/KCW/src/kcw_deallocate_q.f90\nq-e-qe-7.6/KCW/src/kcw_deallocate_symmetry_arrays.f90\nq-e-qe-7.6/KCW/src/kcw_ham.f90\nq-e-qe-7.6/KCW/src/kcw_init_q.f90\nq-e-qe-7.6/KCW/src/kcw_initialize_ph.f90\nq-e-qe-7.6/KCW/src/kcw_io_new.f90\nq-e-qe-7.6/KCW/src/kcw_kpoint_grid.f90\nq-e-qe-7.6/KCW/src/kcw_openfilq.f90\nq-e-qe-7.6/KCW/src/kcw_prepare_q.f90\nq-e-qe-7.6/KCW/src/kcw_q_setup.f90\nq-e-qe-7.6/KCW/src/kcw_read_sym.f90\nq-e-qe-7.6/KCW/src/kcw_readin.f90\nq-e-qe-7.6/KCW/src/kcw_run_nscf.f90\nq-e-qe-7.6/KCW/src/kcw_screen.f90\nq-e-qe-7.6/KCW/src/kcw_setup.f90\nq-e-qe-7.6/KCW/src/kcw_setup_ham.f90\nq-e-qe-7.6/KCW/src/kcw_setup_screen.f90\nq-e-qe-7.6/KCW/src/kcw_write_sym.f90\nq-e-qe-7.6/KCW/src/koopmans_ham.f90\nq-e-qe-7.6/KCW/src/ks_hamiltonian.f90\nq-e-qe-7.6/KCW/src/makedeps.sh\nq-e-qe-7.6/KCW/src/print_clock_kcw.f90\nq-e-qe-7.6/KCW/src/read_alpha.f90\nq-e-qe-7.6/KCW/src/read_qlist_ibz.f90\nq-e-qe-7.6/KCW/src/read_wannier.f90\nq-e-qe-7.6/KCW/src/rho_of_q.f90\nq-e-qe-7.6/KCW/src/rotate_ks.f90\nq-e-qe-7.6/KCW/src/screen_coeff.f90\nq-e-qe-7.6/KCW/src/self_hartree.f90\nq-e-qe-7.6/KCW/src/setup_coulomb.f90\nq-e-qe-7.6/KCW/src/setup_coulomb_exx.f90\nq-e-qe-7.6/KCW/src/solve_linter_koop_mod.f90\nq-e-qe-7.6/KCW/src/structure_factor.f90\nq-e-qe-7.6/KCW/src/wann2kcw.f90\nq-e-qe-7.6/KCW/src/write_hr_to_file.f90\nq-e-qe-7.6/KCW/src/write_qlist_ibz.f90\nq-e-qe-7.6/KS_Solvers/\nq-e-qe-7.6/KS_Solvers/CG/\nq-e-qe-7.6/KS_Solvers/CG/Makefile\nq-e-qe-7.6/KS_Solvers/CG/ccgdiagg.f90\nq-e-qe-7.6/KS_Solvers/CG/rcgdiagg.f90\nq-e-qe-7.6/KS_Solvers/CMakeLists.txt\nq-e-qe-7.6/KS_Solvers/DENSE/\nq-e-qe-7.6/KS_Solvers/DENSE/Makefile\nq-e-qe-7.6/KS_Solvers/DENSE/gram_schmidt_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/gram_schmidt_k.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_HSpsi_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_HSpsi_k.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_driver.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_wfc_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_wfc_k.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_xpsi_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_xpsi_k.f90\nq-e-qe-7.6/KS_Solvers/Davidson/\nq-e-qe-7.6/KS_Solvers/Davidson/Makefile\nq-e-qe-7.6/KS_Solvers/Davidson/cegterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson/pcegterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson/pregterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson/regterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson_RCI/\nq-e-qe-7.6/KS_Solvers/Davidson_RCI/Makefile\nq-e-qe-7.6/KS_Solvers/Davidson_RCI/david_rci.f90\nq-e-qe-7.6/KS_Solvers/Direct/\nq-e-qe-7.6/KS_Solvers/Direct/Makefile\nq-e-qe-7.6/KS_Solvers/Direct/direct_diag_k.f90\nq-e-qe-7.6/KS_Solvers/Makefile\nq-e-qe-7.6/KS_Solvers/ParO/\nq-e-qe-7.6/KS_Solvers/ParO/Makefile\nq-e-qe-7.6/KS_Solvers/ParO/bpcg_gamma.f90\nq-e-qe-7.6/KS_Solvers/ParO/bpcg_k.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_gamma.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_gamma_new.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_k.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_k_new.f90\nq-e-qe-7.6/KS_Solvers/ParO/pcg_gamma.f90\nq-e-qe-7.6/KS_Solvers/ParO/pcg_k.f90\nq-e-qe-7.6/KS_Solvers/RMM/\nq-e-qe-7.6/KS_Solvers/RMM/Makefile\nq-e-qe-7.6/KS_Solvers/RMM/crmmdiagg.f90\nq-e-qe-7.6/KS_Solvers/RMM/rrmmdiagg.f90\nq-e-qe-7.6/KS_Solvers/ks_solver_interfaces.h\nq-e-qe-7.6/LAXlib/\nq-e-qe-7.6/LAXlib/CMakeLists.txt\nq-e-qe-7.6/LAXlib/Makefile\nq-e-qe-7.6/LAXlib/README.TEST\nq-e-qe-7.6/LAXlib/cdiagh.f90\nq-e-qe-7.6/LAXlib/cdiaghg.f90\nq-e-qe-7.6/LAXlib/distools.f90\nq-e-qe-7.6/LAXlib/dspev_drv.f90\nq-e-qe-7.6/LAXlib/la_error.f90\nq-e-qe-7.6/LAXlib/la_helper.f90\nq-e-qe-7.6/LAXlib/la_module.f90\nq-e-qe-7.6/LAXlib/la_param.f90\nq-e-qe-7.6/LAXlib/la_types.f90\nq-e-qe-7.6/LAXlib/laxlib.h\nq-e-qe-7.6/LAXlib/laxlib_hi.h\nq-e-qe-7.6/LAXlib/laxlib_kinds.h\nq-e-qe-7.6/LAXlib/laxlib_low.h\nq-e-qe-7.6/LAXlib/laxlib_mid.h\nq-e-qe-7.6/LAXlib/laxlib_param.h\nq-e-qe-7.6/LAXlib/mp_diag.f90\nq-e-qe-7.6/LAXlib/ptoolkit.f90\nq-e-qe-7.6/LAXlib/rdiagh.f90\nq-e-qe-7.6/LAXlib/rdiaghg.f90\nq-e-qe-7.6/LAXlib/test.f90\nq-e-qe-7.6/LAXlib/tests/\nq-e-qe-7.6/LAXlib/tests/.gitattributes\nq-e-qe-7.6/LAXlib/tests/CMakeLists.txt\nq-e-qe-7.6/LAXlib/tests/Makefile\nq-e-qe-7.6/LAXlib/tests/README.md\nq-e-qe-7.6/LAXlib/tests/ZnOG1.bin\nq-e-qe-7.6/LAXlib/tests/ZnOG2.bin\nq-e-qe-7.6/LAXlib/tests/ZnOK1.bin\nq-e-qe-7.6/LAXlib/tests/ZnOK2.bin\nq-e-qe-7.6/LAXlib/tests/mp_world.f90\nq-e-qe-7.6/LAXlib/tests/test_diagh_1.f90\nq-e-qe-7.6/LAXlib/tests/test_diagh_2.f90\nq-e-qe-7.6/LAXlib/tests/test_diagh_4.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_1.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_2.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_3.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_4.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_1.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_2.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_3.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_4.f90\nq-e-qe-7.6/LAXlib/tests/test_helpers.f90\nq-e-qe-7.6/LAXlib/tests/test_io.f90\nq-e-qe-7.6/LAXlib/tests/test_lapack_zdotc.f90\nq-e-qe-7.6/LAXlib/tests/tester.f90\nq-e-qe-7.6/LAXlib/tests/utils.f90\nq-e-qe-7.6/LAXlib/transto.f90\nq-e-qe-7.6/LAXlib/zhpev_drv.f90\nq-e-qe-7.6/LR_Modules/\nq-e-qe-7.6/LR_Modules/CMakeLists.txt\nq-e-qe-7.6/LR_Modules/Coul_cut_2D_ph.f90\nq-e-qe-7.6/LR_Modules/Makefile\nq-e-qe-7.6/LR_Modules/adddvepsi_us.f90\nq-e-qe-7.6/LR_Modules/adddvhubscf.f90\nq-e-qe-7.6/LR_Modules/adddvscf.f90\nq-e-qe-7.6/LR_Modules/addusdbec.f90\nq-e-qe-7.6/LR_Modules/addusdbec_nc.f90\nq-e-qe-7.6/LR_Modules/addusldos.f90\nq-e-qe-7.6/LR_Modules/apply_dpot.f90\nq-e-qe-7.6/LR_Modules/apply_dpot_mod.f90\nq-e-qe-7.6/LR_Modules/apply_trev.f90\nq-e-qe-7.6/LR_Modules/c_bands_ph.f90\nq-e-qe-7.6/LR_Modules/ccg_psi.f90\nq-e-qe-7.6/LR_Modules/ccgsolve_all.f90\nq-e-qe-7.6/LR_Modules/cft_wave.f90\nq-e-qe-7.6/LR_Modules/cg_psi.f90\nq-e-qe-7.6/LR_Modules/cgsolve_all.f90\nq-e-qe-7.6/LR_Modules/ch_psi_all.f90\nq-e-qe-7.6/LR_Modules/ch_psi_all_complex.f90\nq-e-qe-7.6/LR_Modules/check_q_points_sym.f90\nq-e-qe-7.6/LR_Modules/compute_vsgga.f90\nq-e-qe-7.6/LR_Modules/dfpt_kernels.f90\nq-e-qe-7.6/LR_Modules/dfpt_tetra_mod.f90\nq-e-qe-7.6/LR_Modules/dfpt_type.f90\nq-e-qe-7.6/LR_Modules/dgradcorr.f90\nq-e-qe-7.6/LR_Modules/dnonloccorr.f90\nq-e-qe-7.6/LR_Modules/dnsq_scf.f90\nq-e-qe-7.6/LR_Modules/dv_of_drho.f90\nq-e-qe-7.6/LR_Modules/dv_rVV10.f90\nq-e-qe-7.6/LR_Modules/dv_vdW_DF.f90\nq-e-qe-7.6/LR_Modules/dynmat_sub.f90\nq-e-qe-7.6/LR_Modules/efermi_shift.f90\nq-e-qe-7.6/LR_Modules/h_prec.f90\nq-e-qe-7.6/LR_Modules/h_prec_freq.f90\nq-e-qe-7.6/LR_Modules/incdrhoscf_mod.f90\nq-e-qe-7.6/LR_Modules/lanczos_nonhermitian.f90\nq-e-qe-7.6/LR_Modules/lanczos_nonhermitian_c.f90\nq-e-qe-7.6/LR_Modules/lanczos_pseudohermitian.f90\nq-e-qe-7.6/LR_Modules/lanczos_pseudohermitian_c.f90\nq-e-qe-7.6/LR_Modules/localdos.f90\nq-e-qe-7.6/LR_Modules/lr_addusddens.f90\nq-e-qe-7.6/LR_Modules/lr_dot.f90\nq-e-qe-7.6/LR_Modules/lr_dot_magnons.f90\nq-e-qe-7.6/LR_Modules/lr_nc_mag.f90\nq-e-qe-7.6/LR_Modules/lr_orthoUwfc.f90\nq-e-qe-7.6/LR_Modules/lr_restart.f90\nq-e-qe-7.6/LR_Modules/lr_sm1_psi.f90\nq-e-qe-7.6/LR_Modules/lr_sym_mod.f90\nq-e-qe-7.6/LR_Modules/lr_sym_paw.f90\nq-e-qe-7.6/LR_Modules/lr_two_chem.f90\nq-e-qe-7.6/LR_Modules/lrcom.f90\nq-e-qe-7.6/LR_Modules/mix_pot.f90\nq-e-qe-7.6/LR_Modules/mode_group.f90\nq-e-qe-7.6/LR_Modules/newdq.f90\nq-e-qe-7.6/LR_Modules/non_scf_ph.f90\nq-e-qe-7.6/LR_Modules/orthogonalize.f90\nq-e-qe-7.6/LR_Modules/orthogonalize_omega.f90\nq-e-qe-7.6/LR_Modules/psymdvscf.f90\nq-e-qe-7.6/LR_Modules/qdipol_cryst.f90\nq-e-qe-7.6/LR_Modules/qpoint.f90\nq-e-qe-7.6/LR_Modules/response_kernels.f90\nq-e-qe-7.6/LR_Modules/set_dbecsum_nc.f90\nq-e-qe-7.6/LR_Modules/set_int3_nc.f90\nq-e-qe-7.6/LR_Modules/set_intq_nc.f90\nq-e-qe-7.6/LR_Modules/set_kplusq_nc.f90\nq-e-qe-7.6/LR_Modules/set_small_group_of_q.f90\nq-e-qe-7.6/LR_Modules/setqmod.f90\nq-e-qe-7.6/LR_Modules/setup_alpha_pv.f90\nq-e-qe-7.6/LR_Modules/setup_dgc.f90\nq-e-qe-7.6/LR_Modules/setup_dmuxc.f90\nq-e-qe-7.6/LR_Modules/setup_nbnd_occ.f90\nq-e-qe-7.6/LR_Modules/setup_nscf.f90\nq-e-qe-7.6/LR_Modules/sgam_lr.f90\nq-e-qe-7.6/LR_Modules/smallgq.f90\nq-e-qe-7.6/LR_Modules/star_q.f90\nq-e-qe-7.6/LR_Modules/sym_def.f90\nq-e-qe-7.6/LR_Modules/sym_dmag.f90\nq-e-qe-7.6/LR_Modules/sym_dns.f90\nq-e-qe-7.6/LR_Modules/symdvscf.f90\nq-e-qe-7.6/LR_Modules/twochem_postproc_dfpt.f90\nq-e-qe-7.6/License\nq-e-qe-7.6/Makefile\nq-e-qe-7.6/Modules/\nq-e-qe-7.6/Modules/CMakeLists.txt\nq-e-qe-7.6/Modules/Makefile\nq-e-qe-7.6/Modules/additional_kpoints.f90\nq-e-qe-7.6/Modules/allocate_fft_3drism.f90\nq-e-qe-7.6/Modules/atom_weight.f90\nq-e-qe-7.6/Modules/atomic_wfc_mod.f90\nq-e-qe-7.6/Modules/autopilot.f90\nq-e-qe-7.6/Modules/basic_algebra_routines.f90\nq-e-qe-7.6/Modules/becmod.f90\nq-e-qe-7.6/Modules/bfgs_module.f90\nq-e-qe-7.6/Modules/bspline.f90\nq-e-qe-7.6/Modules/bz_form.f90\nq-e-qe-7.6/Modules/cell_base.f90\nq-e-qe-7.6/Modules/cell_nose.f90\nq-e-qe-7.6/Modules/check_stop.f90\nq-e-qe-7.6/Modules/chempot.f90\nq-e-qe-7.6/Modules/chempot_lauerism.f90\nq-e-qe-7.6/Modules/closure.f90\nq-e-qe-7.6/Modules/command_line_options.f90\nq-e-qe-7.6/Modules/compute_dipole.f90\nq-e-qe-7.6/Modules/constants.f90\nq-e-qe-7.6/Modules/constraints_module.f90\nq-e-qe-7.6/Modules/control_flags.f90\nq-e-qe-7.6/Modules/copy_order_um_from_xml.f90\nq-e-qe-7.6/Modules/corrdipole_laue.f90\nq-e-qe-7.6/Modules/correctat0_vv.f90\nq-e-qe-7.6/Modules/corrgxy0_laue.f90\nq-e-qe-7.6/Modules/coulomb_vcut.f90\nq-e-qe-7.6/Modules/cryst_to_car.f90\nq-e-qe-7.6/Modules/cryst_to_car_2d.f90\nq-e-qe-7.6/Modules/customize_signals.c\nq-e-qe-7.6/Modules/data_structure_3drism.f90\nq-e-qe-7.6/Modules/date_and_tim.f90\nq-e-qe-7.6/Modules/deviatoric.f90\nq-e-qe-7.6/Modules/dist.f90\nq-e-qe-7.6/Modules/do_1drism.f90\nq-e-qe-7.6/Modules/do_3drism.f90\nq-e-qe-7.6/Modules/do_lauerism.f90\nq-e-qe-7.6/Modules/electrons_base.f90\nq-e-qe-7.6/Modules/environ_api_stub.f90\nq-e-qe-7.6/Modules/environ_base_module.f90\nq-e-qe-7.6/Modules/environment.f90\nq-e-qe-7.6/Modules/eqn_1drism.f90\nq-e-qe-7.6/Modules/eqn_3drism.f90\nq-e-qe-7.6/Modules/eqn_lauedipole.f90\nq-e-qe-7.6/Modules/eqn_lauegxy0.f90\nq-e-qe-7.6/Modules/eqn_lauelong.f90\nq-e-qe-7.6/Modules/eqn_lauerism.f90\nq-e-qe-7.6/Modules/eqn_laueshort.f90\nq-e-qe-7.6/Modules/eqn_lauevoid.f90\nq-e-qe-7.6/Modules/err_rism.f90\nq-e-qe-7.6/Modules/expint.f90\nq-e-qe-7.6/Modules/extffield.f90\nq-e-qe-7.6/Modules/fd_gradient.f90\nq-e-qe-7.6/Modules/fft_base.f90\nq-e-qe-7.6/Modules/fft_rho.f90\nq-e-qe-7.6/Modules/fft_wave.f90\nq-e-qe-7.6/Modules/fox_init_module.f90\nq-e-qe-7.6/Modules/fsockets.f90\nq-e-qe-7.6/Modules/funct.f90\nq-e-qe-7.6/Modules/generate_function.f90\nq-e-qe-7.6/Modules/generate_k_along_lines.f90\nq-e-qe-7.6/Modules/gradutils.f90\nq-e-qe-7.6/Modules/guess_3drism.f90\nq-e-qe-7.6/Modules/gvecw.f90\nq-e-qe-7.6/Modules/has_xml.f90\nq-e-qe-7.6/Modules/hdf5_qe.f90\nq-e-qe-7.6/Modules/init_1drism.f90\nq-e-qe-7.6/Modules/init_3drism.f90\nq-e-qe-7.6/Modules/inpfile.f90\nq-e-qe-7.6/Modules/input_1drism.f90\nq-e-qe-7.6/Modules/input_3drism.f90\nq-e-qe-7.6/Modules/input_parameters.f90\nq-e-qe-7.6/Modules/int_to_char.f90\nq-e-qe-7.6/Modules/invmat.f90\nq-e-qe-7.6/Modules/io_base.f90\nq-e-qe-7.6/Modules/io_files.f90\nq-e-qe-7.6/Modules/io_global.f90\nq-e-qe-7.6/Modules/io_rism_xml.f90\nq-e-qe-7.6/Modules/ions_base.f90\nq-e-qe-7.6/Modules/ions_nose.f90\nq-e-qe-7.6/Modules/kind.f90\nq-e-qe-7.6/Modules/latgen.f90\nq-e-qe-7.6/Modules/lauefft.f90\nq-e-qe-7.6/Modules/lauefft_subs.f90\nq-e-qe-7.6/Modules/linpack.f90\nq-e-qe-7.6/Modules/lj_forcefield.f90\nq-e-qe-7.6/Modules/lj_solute.f90\nq-e-qe-7.6/Modules/lmdif.f90\nq-e-qe-7.6/Modules/makov_payne.f90\nq-e-qe-7.6/Modules/mbdlib.f90\nq-e-qe-7.6/Modules/mdiis.f90\nq-e-qe-7.6/Modules/mm_dispersion.f90\nq-e-qe-7.6/Modules/molebridge_vv.f90\nq-e-qe-7.6/Modules/molecorr_vv.f90\nq-e-qe-7.6/Modules/molecule_const.f90\nq-e-qe-7.6/Modules/molecule_types.f90\nq-e-qe-7.6/Modules/more_functionals.f90\nq-e-qe-7.6/Modules/mp_bands.f90\nq-e-qe-7.6/Modules/mp_exx.f90\nq-e-qe-7.6/Modules/mp_global.f90\nq-e-qe-7.6/Modules/mp_images.f90\nq-e-qe-7.6/Modules/mp_pools.f90\nq-e-qe-7.6/Modules/mp_rism.f90\nq-e-qe-7.6/Modules/mp_swap_ax_rism.f90\nq-e-qe-7.6/Modules/mp_wave.f90\nq-e-qe-7.6/Modules/mp_world.f90\nq-e-qe-7.6/Modules/noncol.f90\nq-e-qe-7.6/Modules/normalize_lauerism.f90\nq-e-qe-7.6/Modules/open_close_input_file.f90\nq-e-qe-7.6/Modules/parameters.f90\nq-e-qe-7.6/Modules/parser.f90\nq-e-qe-7.6/Modules/plot_io.f90\nq-e-qe-7.6/Modules/plot_rism.f90\nq-e-qe-7.6/Modules/plugin_arguments.f90\nq-e-qe-7.6/Modules/plugin_flags.f90\nq-e-qe-7.6/Modules/plugin_variables.f90\nq-e-qe-7.6/Modules/potential_3drism.f90\nq-e-qe-7.6/Modules/potential_esm.f90\nq-e-qe-7.6/Modules/potential_vv.f90\nq-e-qe-7.6/Modules/print_chempot_3drism.f90\nq-e-qe-7.6/Modules/print_chempot_lauerism.f90\nq-e-qe-7.6/Modules/print_chempot_vv.f90\nq-e-qe-7.6/Modules/print_corr_vv.f90\nq-e-qe-7.6/Modules/print_solvavg.f90\nq-e-qe-7.6/Modules/printout_base.f90\nq-e-qe-7.6/Modules/pw_dot.f90\nq-e-qe-7.6/Modules/qeh5_module.f90\nq-e-qe-7.6/Modules/qes_bcast_module.f90\nq-e-qe-7.6/Modules/qes_init_module.f90\nq-e-qe-7.6/Modules/qes_libs_module.f90\nq-e-qe-7.6/Modules/qes_read_module.f90\nq-e-qe-7.6/Modules/qes_reset_module.f90\nq-e-qe-7.6/Modules/qes_types_module.f90\nq-e-qe-7.6/Modules/qes_write_module.f90\nq-e-qe-7.6/Modules/qexsd.f90\nq-e-qe-7.6/Modules/qexsd_copy.f90\nq-e-qe-7.6/Modules/qexsd_init.f90\nq-e-qe-7.6/Modules/qexsd_input.f90\nq-e-qe-7.6/Modules/qmmm.f90\nq-e-qe-7.6/Modules/qmmm_aux.c\nq-e-qe-7.6/Modules/radfft.f90\nq-e-qe-7.6/Modules/radial_gradients.f90\nq-e-qe-7.6/Modules/random_numbers.f90\nq-e-qe-7.6/Modules/random_numbers_gpu.f90\nq-e-qe-7.6/Modules/read_cards.f90\nq-e-qe-7.6/Modules/read_input.f90\nq-e-qe-7.6/Modules/read_mol.f90\nq-e-qe-7.6/Modules/read_namelists.f90\nq-e-qe-7.6/Modules/read_pseudo.f90\nq-e-qe-7.6/Modules/read_solv.f90\nq-e-qe-7.6/Modules/recips.f90\nq-e-qe-7.6/Modules/recvec.f90\nq-e-qe-7.6/Modules/recvec_3drism.f90\nq-e-qe-7.6/Modules/recvec_subs.f90\nq-e-qe-7.6/Modules/remove_tot_torque.f90\nq-e-qe-7.6/Modules/rgen.f90\nq-e-qe-7.6/Modules/rism.f90\nq-e-qe-7.6/Modules/rism1d_facade.f90\nq-e-qe-7.6/Modules/rism3d_facade.f90\nq-e-qe-7.6/Modules/rms_residual.f90\nq-e-qe-7.6/Modules/run_info.f90\nq-e-qe-7.6/Modules/scale_fft_3drism.f90\nq-e-qe-7.6/Modules/scale_fft_lauerism.f90\nq-e-qe-7.6/Modules/set_para_diag.f90\nq-e-qe-7.6/Modules/set_signal.f90\nq-e-qe-7.6/Modules/set_vdw_corr.f90\nq-e-qe-7.6/Modules/setqf.f90\nq-e-qe-7.6/Modules/sockets.c\nq-e-qe-7.6/Modules/solute.f90\nq-e-qe-7.6/Modules/solvation_3drism.f90\nq-e-qe-7.6/Modules/solvation_esm.f90\nq-e-qe-7.6/Modules/solvation_force.f90\nq-e-qe-7.6/Modules/solvation_lauerism.f90\nq-e-qe-7.6/Modules/solvation_pbc.f90\nq-e-qe-7.6/Modules/solvation_stress.f90\nq-e-qe-7.6/Modules/solvavg.f90\nq-e-qe-7.6/Modules/solvmol.f90\nq-e-qe-7.6/Modules/sort.f90\nq-e-qe-7.6/Modules/space_group.f90\nq-e-qe-7.6/Modules/summary_1drism.f90\nq-e-qe-7.6/Modules/summary_3drism.f90\nq-e-qe-7.6/Modules/suscept_g0.f90\nq-e-qe-7.6/Modules/suscept_laue.f90\nq-e-qe-7.6/Modules/suscept_laueint.f90\nq-e-qe-7.6/Modules/suscept_vv.f90\nq-e-qe-7.6/Modules/timestep.f90\nq-e-qe-7.6/Modules/trimcheck.f90\nq-e-qe-7.6/Modules/tsvdw.f90\nq-e-qe-7.6/Modules/version.f90\nq-e-qe-7.6/Modules/volume.f90\nq-e-qe-7.6/Modules/w0gauss.f90\nq-e-qe-7.6/Modules/w1gauss.f90\nq-e-qe-7.6/Modules/wannier_gw.f90\nq-e-qe-7.6/Modules/wannier_new.f90\nq-e-qe-7.6/Modules/wave_gauge.f90\nq-e-qe-7.6/Modules/wavefunctions.f90\nq-e-qe-7.6/Modules/wgauss.f90\nq-e-qe-7.6/Modules/write_rism_type.f90\nq-e-qe-7.6/Modules/ws_base.f90\nq-e-qe-7.6/Modules/wyckoff.f90\nq-e-qe-7.6/Modules/wypos.f90\nq-e-qe-7.6/Modules/xc_rVV10.f90\nq-e-qe-7.6/Modules/xc_vdW_DF.f90\nq-e-qe-7.6/Modules/xml_io_rism.f90\nq-e-qe-7.6/Modules/xsf.f90\nq-e-qe-7.6/Modules/zvscal.f90\nq-e-qe-7.6/NEB/\nq-e-qe-7.6/NEB/CMakeLists.txt\nq-e-qe-7.6/NEB/Doc/\nq-e-qe-7.6/NEB/Doc/INPUT_NEB.def\nq-e-qe-7.6/NEB/Doc/Makefile\nq-e-qe-7.6/NEB/Doc/user_guide.pdf\nq-e-qe-7.6/NEB/Doc/user_guide.tex\nq-e-qe-7.6/NEB/Makefile\nq-e-qe-7.6/NEB/examples/\nq-e-qe-7.6/NEB/examples/ESM_example/\nq-e-qe-7.6/NEB/examples/ESM_example/README\nq-e-qe-7.6/NEB/examples/ESM_example/reference/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_1/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_1/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_2/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_2/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_3/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_3/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_4/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_4/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_5/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_5/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/run_example\nq-e-qe-7.6/NEB/examples/ESM_example/run_example_ESM\nq-e-qe-7.6/NEB/examples/ESM_example/run_example_FCP\nq-e-qe-7.6/NEB/examples/ESM_example/run_example_GCSCF\nq-e-qe-7.6/NEB/examples/check-neb.x.j\nq-e-qe-7.6/NEB/examples/clean_all\nq-e-qe-7.6/NEB/examples/example01/\nq-e-qe-7.6/NEB/examples/example01/README\nq-e-qe-7.6/NEB/examples/example01/reference/\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.axsf\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.dat\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.int\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.out\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.path\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.xyz\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.axsf\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.dat\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.int\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.out\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.path\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.xyz\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.axsf\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.dat\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.int\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.out\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.path\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.xyz\nq-e-qe-7.6/NEB/examples/example01/run_example\nq-e-qe-7.6/NEB/examples/neb0.in\nq-e-qe-7.6/NEB/examples/neb0.ref\nq-e-qe-7.6/NEB/examples/neb1.in\nq-e-qe-7.6/NEB/examples/neb1.ref\nq-e-qe-7.6/NEB/examples/neb2.in\nq-e-qe-7.6/NEB/examples/neb2.ref\nq-e-qe-7.6/NEB/src/\nq-e-qe-7.6/NEB/src/Makefile\nq-e-qe-7.6/NEB/src/bcast_file.f90\nq-e-qe-7.6/NEB/src/compute_scf.f90\nq-e-qe-7.6/NEB/src/engine_to_path_alat.f90\nq-e-qe-7.6/NEB/src/engine_to_path_fix_atom_pos.f90\nq-e-qe-7.6/NEB/src/engine_to_path_nat.f90\nq-e-qe-7.6/NEB/src/engine_to_path_pos.f90\nq-e-qe-7.6/NEB/src/engine_to_path_tot_charge.f90\nq-e-qe-7.6/NEB/src/fcp_opt_routines.f90\nq-e-qe-7.6/NEB/src/fcp_variables.f90\nq-e-qe-7.6/NEB/src/gcscf_variables.f90\nq-e-qe-7.6/NEB/src/neb.f90\nq-e-qe-7.6/NEB/src/neb_input.f90\nq-e-qe-7.6/NEB/src/path_base.f90\nq-e-qe-7.6/NEB/src/path_formats.f90\nq-e-qe-7.6/NEB/src/path_gen_inputs.f90\nq-e-qe-7.6/NEB/src/path_input_parameters_module.f90\nq-e-qe-7.6/NEB/src/path_interpolation.f90\nq-e-qe-7.6/NEB/src/path_io_routines.f90\nq-e-qe-7.6/NEB/src/path_io_tools.f90\nq-e-qe-7.6/NEB/src/path_io_units_module.f90\nq-e-qe-7.6/NEB/src/path_opt_routines.f90\nq-e-qe-7.6/NEB/src/path_read_cards_module.f90\nq-e-qe-7.6/NEB/src/path_read_namelists_module.f90\nq-e-qe-7.6/NEB/src/path_reparametrisation.f90\nq-e-qe-7.6/NEB/src/path_to_engine_fix_atom_pos.f90\nq-e-qe-7.6/NEB/src/path_variables.f90\nq-e-qe-7.6/NEB/src/set_defaults.f90\nq-e-qe-7.6/NEB/src/stop_run_path.f90\nq-e-qe-7.6/NEB/tools/\nq-e-qe-7.6/NEB/tools/path_interpolation.sh\nq-e-qe-7.6/NEB/tools/path_merge.sh\nq-e-qe-7.6/PHonon/\nq-e-qe-7.6/PHonon/CMakeLists.txt\nq-e-qe-7.6/PHonon/Doc/\nq-e-qe-7.6/PHonon/Doc/INPUT_DYNMAT.def\nq-e-qe-7.6/PHonon/Doc/INPUT_Gamma\nq-e-qe-7.6/PHonon/Doc/INPUT_MATDYN.def\nq-e-qe-7.6/PHonon/Doc/INPUT_PH.def\nq-e-qe-7.6/PHonon/Doc/INPUT_POSTAHC.def\nq-e-qe-7.6/PHonon/Doc/INPUT_Q2R.def\nq-e-qe-7.6/PHonon/Doc/Makefile\nq-e-qe-7.6/PHonon/Doc/developer_man.pdf\nq-e-qe-7.6/PHonon/Doc/dfpt_self_energy.pdf\nq-e-qe-7.6/PHonon/Doc/dfpt_self_energy.tex\nq-e-qe-7.6/PHonon/Doc/dfpt_tetra.pdf\nq-e-qe-7.6/PHonon/Doc/dfpt_tetra.tex\nq-e-qe-7.6/PHonon/Doc/input_xx.xsl\nq-e-qe-7.6/PHonon/Doc/pic/\nq-e-qe-7.6/PHonon/Doc/pic/elph_tetra.pdf\nq-e-qe-7.6/PHonon/Doc/user_guide.pdf\nq-e-qe-7.6/PHonon/Doc/user_guide.tex\nq-e-qe-7.6/PHonon/FD/\nq-e-qe-7.6/PHonon/FD/Makefile\nq-e-qe-7.6/PHonon/FD/example/\nq-e-qe-7.6/PHonon/FD/example/README\nq-e-qe-7.6/PHonon/FD/example/Si_example/\nq-e-qe-7.6/PHonon/FD/example/Si_example/fd.in\nq-e-qe-7.6/PHonon/FD/example/Si_example/fd_ifc.in\nq-e-qe-7.6/PHonon/FD/example/Si_example/run_fd\nq-e-qe-7.6/PHonon/FD/example/Si_example/si.scf.in\nq-e-qe-7.6/PHonon/FD/fd.f90\nq-e-qe-7.6/PHonon/FD/fd_ef.f90\nq-e-qe-7.6/PHonon/FD/fd_ifc.f90\nq-e-qe-7.6/PHonon/FD/run_fd\nq-e-qe-7.6/PHonon/FD/stop_pp.f90\nq-e-qe-7.6/PHonon/Ford.md\nq-e-qe-7.6/PHonon/Ford/\nq-e-qe-7.6/PHonon/Ford/index.md\nq-e-qe-7.6/PHonon/Gamma/\nq-e-qe-7.6/PHonon/Gamma/Makefile\nq-e-qe-7.6/PHonon/Gamma/a_h.f90\nq-e-qe-7.6/PHonon/Gamma/cg_readin.f90\nq-e-qe-7.6/PHonon/Gamma/cg_setup.f90\nq-e-qe-7.6/PHonon/Gamma/cgcom.f90\nq-e-qe-7.6/PHonon/Gamma/cgsolve.f90\nq-e-qe-7.6/PHonon/Gamma/d2ion.f90\nq-e-qe-7.6/PHonon/Gamma/dgradcorr.f90\nq-e-qe-7.6/PHonon/Gamma/dielec.f90\nq-e-qe-7.6/PHonon/Gamma/drhodv.f90\nq-e-qe-7.6/PHonon/Gamma/dvb_cc.f90\nq-e-qe-7.6/PHonon/Gamma/dvpsi_e.f90\nq-e-qe-7.6/PHonon/Gamma/dvpsi_kb.f90\nq-e-qe-7.6/PHonon/Gamma/dyndiar.f90\nq-e-qe-7.6/PHonon/Gamma/dynmat_init.f90\nq-e-qe-7.6/PHonon/Gamma/dynmatcc.f90\nq-e-qe-7.6/PHonon/Gamma/find_equiv_sites.f90\nq-e-qe-7.6/PHonon/Gamma/generate_dynamical_matrix.f90\nq-e-qe-7.6/PHonon/Gamma/generate_effective_charges.f90\nq-e-qe-7.6/PHonon/Gamma/h_h.f90\nq-e-qe-7.6/PHonon/Gamma/macro.f90\nq-e-qe-7.6/PHonon/Gamma/phcg.f90\nq-e-qe-7.6/PHonon/Gamma/rhod2vkb.f90\nq-e-qe-7.6/PHonon/Gamma/solve_e.f90\nq-e-qe-7.6/PHonon/Gamma/solve_ph.f90\nq-e-qe-7.6/PHonon/Gamma/writedyn.f90\nq-e-qe-7.6/PHonon/Makefile\nq-e-qe-7.6/PHonon/PH/\nq-e-qe-7.6/PHonon/PH/Makefile\nq-e-qe-7.6/PHonon/PH/acfdtest.f90\nq-e-qe-7.6/PHonon/PH/add_dkmds.f90\nq-e-qe-7.6/PHonon/PH/add_for_charges.f90\nq-e-qe-7.6/PHonon/PH/add_zstar_ue.f90\nq-e-qe-7.6/PHonon/PH/add_zstar_ue_us.f90\nq-e-qe-7.6/PHonon/PH/addcore.f90\nq-e-qe-7.6/PHonon/PH/addnlcc_zstar_eu_us.f90\nq-e-qe-7.6/PHonon/PH/addusddens_pulay.f90\nq-e-qe-7.6/PHonon/PH/addusdynmat.f90\nq-e-qe-7.6/PHonon/PH/ahc.f90\nq-e-qe-7.6/PHonon/PH/allocate_part.f90\nq-e-qe-7.6/PHonon/PH/allocate_pert.f90\nq-e-qe-7.6/PHonon/PH/allocate_phq.f90\nq-e-qe-7.6/PHonon/PH/alpha2f.f90\nq-e-qe-7.6/PHonon/PH/bcast_ph_input.f90\nq-e-qe-7.6/PHonon/PH/cch_psi_all.f90\nq-e-qe-7.6/PHonon/PH/check_if_partial_dyn.f90\nq-e-qe-7.6/PHonon/PH/check_initial_status.f90\nq-e-qe-7.6/PHonon/PH/check_restart_recover.f90\nq-e-qe-7.6/PHonon/PH/chi_test.f90\nq-e-qe-7.6/PHonon/PH/clean_pw_ph.f90\nq-e-qe-7.6/PHonon/PH/clinear.f90\nq-e-qe-7.6/PHonon/PH/close_phq.f90\nq-e-qe-7.6/PHonon/PH/compute_alphasum.f90\nq-e-qe-7.6/PHonon/PH/compute_becalp.f90\nq-e-qe-7.6/PHonon/PH/compute_becsum_ph.f90\nq-e-qe-7.6/PHonon/PH/compute_drhous.f90\nq-e-qe-7.6/PHonon/PH/compute_drhous_nc.f90\nq-e-qe-7.6/PHonon/PH/compute_dvloc.f90\nq-e-qe-7.6/PHonon/PH/compute_nldyn.f90\nq-e-qe-7.6/PHonon/PH/compute_weight.f90\nq-e-qe-7.6/PHonon/PH/d2ionq.f90\nq-e-qe-7.6/PHonon/PH/d2ionq_disp.f90\nq-e-qe-7.6/PHonon/PH/d2mxc.f90\nq-e-qe-7.6/PHonon/PH/d2nsq_bare.f90\nq-e-qe-7.6/PHonon/PH/davcio_drho.f90\nq-e-qe-7.6/PHonon/PH/deallocate_part.f90\nq-e-qe-7.6/PHonon/PH/deallocate_phq.f90\nq-e-qe-7.6/PHonon/PH/delta_sphi.f90\nq-e-qe-7.6/PHonon/PH/dfile_autoname.f90\nq-e-qe-7.6/PHonon/PH/dfile_star.f90\nq-e-qe-7.6/PHonon/PH/dhdrhopsi.f90\nq-e-qe-7.6/PHonon/PH/dielec.f90\nq-e-qe-7.6/PHonon/PH/dielec_test.f90\nq-e-qe-7.6/PHonon/PH/dnsq_bare.f90\nq-e-qe-7.6/PHonon/PH/dnsq_orth.f90\nq-e-qe-7.6/PHonon/PH/dnsq_orth_set_irr.f90\nq-e-qe-7.6/PHonon/PH/dnsq_store.f90\nq-e-qe-7.6/PHonon/PH/do_phonon.f90\nq-e-qe-7.6/PHonon/PH/do_q2r.f90\nq-e-qe-7.6/PHonon/PH/dpsi_orth.f90\nq-e-qe-7.6/PHonon/PH/drho.f90\nq-e-qe-7.6/PHonon/PH/drhodv.f90\nq-e-qe-7.6/PHonon/PH/drhodvloc.f90\nq-e-qe-7.6/PHonon/PH/drhodvnl.f90\nq-e-qe-7.6/PHonon/PH/drhodvus.f90\nq-e-qe-7.6/PHonon/PH/dump_drho.f90\nq-e-qe-7.6/PHonon/PH/dvanqq.f90\nq-e-qe-7.6/PHonon/PH/dvkb3.f90\nq-e-qe-7.6/PHonon/PH/dvpsi_e.f90\nq-e-qe-7.6/PHonon/PH/dvpsi_e2.f90\nq-e-qe-7.6/PHonon/PH/dvqhub_barepsi_us.f90\nq-e-qe-7.6/PHonon/PH/dvqhub_barepsi_us2.f90\nq-e-qe-7.6/PHonon/PH/dvqpsi_us.f90\nq-e-qe-7.6/PHonon/PH/dvqpsi_us_only.f90\nq-e-qe-7.6/PHonon/PH/dvscf_interpolate.f90\nq-e-qe-7.6/PHonon/PH/dvscf_q2r.f90\nq-e-qe-7.6/PHonon/PH/dwfc.f90\nq-e-qe-7.6/PHonon/PH/dyndia.f90\nq-e-qe-7.6/PHonon/PH/dynmat.f90\nq-e-qe-7.6/PHonon/PH/dynmat0.f90\nq-e-qe-7.6/PHonon/PH/dynmat_hub_bare.f90\nq-e-qe-7.6/PHonon/PH/dynmat_hub_scf.f90\nq-e-qe-7.6/PHonon/PH/dynmat_nlcc.f90\nq-e-qe-7.6/PHonon/PH/dynmat_us.f90\nq-e-qe-7.6/PHonon/PH/dynmatcc.f90\nq-e-qe-7.6/PHonon/PH/dynmatrix.f90\nq-e-qe-7.6/PHonon/PH/el_opt.f90\nq-e-qe-7.6/PHonon/PH/el_ph_collect.f90\nq-e-qe-7.6/PHonon/PH/elph.f90\nq-e-qe-7.6/PHonon/PH/elph_scdft_mod.f90\nq-e-qe-7.6/PHonon/PH/elph_tetra_mod.f90\nq-e-qe-7.6/PHonon/PH/elphon.f90\nq-e-qe-7.6/PHonon/PH/ep_matrix_element_wannier.f90\nq-e-qe-7.6/PHonon/PH/epa.f90\nq-e-qe-7.6/PHonon/PH/find_equiv_sites.f90\nq-e-qe-7.6/PHonon/PH/find_irrep.f90\nq-e-qe-7.6/PHonon/PH/find_mode_sym.f90\nq-e-qe-7.6/PHonon/PH/fqha.f90\nq-e-qe-7.6/PHonon/PH/generate_dynamical_matrix_c.f90\nq-e-qe-7.6/PHonon/PH/generate_effective_charges_c.f90\nq-e-qe-7.6/PHonon/PH/gmressolve_all.f90\nq-e-qe-7.6/PHonon/PH/hdiag.f90\nq-e-qe-7.6/PHonon/PH/incdrhous.f90\nq-e-qe-7.6/PHonon/PH/incdrhous_nc.f90\nq-e-qe-7.6/PHonon/PH/init_representations.f90\nq-e-qe-7.6/PHonon/PH/initialize_ph.f90\nq-e-qe-7.6/PHonon/PH/io_dyn_mat.f90\nq-e-qe-7.6/PHonon/PH/io_dyn_mat_old.f90\nq-e-qe-7.6/PHonon/PH/io_pattern.f90\nq-e-qe-7.6/PHonon/PH/lambda.f90\nq-e-qe-7.6/PHonon/PH/matdyn.f90\nq-e-qe-7.6/PHonon/PH/obsolete.f90\nq-e-qe-7.6/PHonon/PH/openfilq.f90\nq-e-qe-7.6/PHonon/PH/pcgreen.f90\nq-e-qe-7.6/PHonon/PH/ph_restart.f90\nq-e-qe-7.6/PHonon/PH/ph_set_upert.f90\nq-e-qe-7.6/PHonon/PH/phcom.f90\nq-e-qe-7.6/PHonon/PH/phescf.f90\nq-e-qe-7.6/PHonon/PH/phonon.f90\nq-e-qe-7.6/PHonon/PH/phq_init.f90\nq-e-qe-7.6/PHonon/PH/phq_readin.f90\nq-e-qe-7.6/PHonon/PH/phq_recover.f90\nq-e-qe-7.6/PHonon/PH/phq_setup.f90\nq-e-qe-7.6/PHonon/PH/phq_summary.f90\nq-e-qe-7.6/PHonon/PH/phqscf.f90\nq-e-qe-7.6/PHonon/PH/polariz.f90\nq-e-qe-7.6/PHonon/PH/postahc.f90\nq-e-qe-7.6/PHonon/PH/prepare_q.f90\nq-e-qe-7.6/PHonon/PH/prepare_sym_analysis.f90\nq-e-qe-7.6/PHonon/PH/print_clock_ph.f90\nq-e-qe-7.6/PHonon/PH/psidspsi.f90\nq-e-qe-7.6/PHonon/PH/psyme2.f90\nq-e-qe-7.6/PHonon/PH/punch_plot_e.f90\nq-e-qe-7.6/PHonon/PH/q2qstar.f90\nq-e-qe-7.6/PHonon/PH/q2qstar_ph.f90\nq-e-qe-7.6/PHonon/PH/q2r.f90\nq-e-qe-7.6/PHonon/PH/q_points.f90\nq-e-qe-7.6/PHonon/PH/q_points_wannier.f90\nq-e-qe-7.6/PHonon/PH/raman.f90\nq-e-qe-7.6/PHonon/PH/raman_mat.f90\nq-e-qe-7.6/PHonon/PH/ramanm.f90\nq-e-qe-7.6/PHonon/PH/random_matrix.f90\nq-e-qe-7.6/PHonon/PH/read_wfc_rspace_and_fwfft.f90\nq-e-qe-7.6/PHonon/PH/rigid.f90\nq-e-qe-7.6/PHonon/PH/rotate_and_add_dyn.f90\nq-e-qe-7.6/PHonon/PH/rotate_dvscf_star.f90\nq-e-qe-7.6/PHonon/PH/rotate_pattern_add.f90\nq-e-qe-7.6/PHonon/PH/run_nscf.f90\nq-e-qe-7.6/PHonon/PH/save_ph_input.f90\nq-e-qe-7.6/PHonon/PH/set_asr_c.f90\nq-e-qe-7.6/PHonon/PH/set_drhoc.f90\nq-e-qe-7.6/PHonon/PH/set_dvscf.f90\nq-e-qe-7.6/PHonon/PH/set_int12_nc.f90\nq-e-qe-7.6/PHonon/PH/set_irr.f90\nq-e-qe-7.6/PHonon/PH/set_irr_nosym.f90\nq-e-qe-7.6/PHonon/PH/set_irr_sym.f90\nq-e-qe-7.6/PHonon/PH/setlocq.f90\nq-e-qe-7.6/PHonon/PH/solve_e.f90\nq-e-qe-7.6/PHonon/PH/solve_e2.f90\nq-e-qe-7.6/PHonon/PH/solve_e_fpol.f90\nq-e-qe-7.6/PHonon/PH/solve_e_nscf.f90\nq-e-qe-7.6/PHonon/PH/solve_linter.f90\nq-e-qe-7.6/PHonon/PH/stop_ph.f90\nq-e-qe-7.6/PHonon/PH/summarize.f90\nq-e-qe-7.6/PHonon/PH/swfc.f90\nq-e-qe-7.6/PHonon/PH/sym_and_write_zue.f90\nq-e-qe-7.6/PHonon/PH/sym_dns_wrapper.f90\nq-e-qe-7.6/PHonon/PH/symdyn_munu.f90\nq-e-qe-7.6/PHonon/PH/symdynph_gq.f90\nq-e-qe-7.6/PHonon/PH/syme2.f90\nq-e-qe-7.6/PHonon/PH/symm.f90\nq-e-qe-7.6/PHonon/PH/symmorphic_or_nzb.f90\nq-e-qe-7.6/PHonon/PH/tra_write_matrix.f90\nq-e-qe-7.6/PHonon/PH/transform_alphasum_nc.f90\nq-e-qe-7.6/PHonon/PH/transform_alphasum_so.f90\nq-e-qe-7.6/PHonon/PH/transform_int_nc.f90\nq-e-qe-7.6/PHonon/PH/transform_int_so.f90\nq-e-qe-7.6/PHonon/PH/trntnsc.f90\nq-e-qe-7.6/PHonon/PH/write_eigenvectors.f90\nq-e-qe-7.6/PHonon/PH/write_epsilon_and_zeu.f90\nq-e-qe-7.6/PHonon/PH/write_hub.f90\nq-e-qe-7.6/PHonon/PH/write_matrix.f90\nq-e-qe-7.6/PHonon/PH/write_modes.f90\nq-e-qe-7.6/PHonon/PH/write_qplot_data.f90\nq-e-qe-7.6/PHonon/PH/write_ramtns.f90\nq-e-qe-7.6/PHonon/PH/write_rec.f90\nq-e-qe-7.6/PHonon/PH/yambo.f90\nq-e-qe-7.6/PHonon/PH/zstar_eu.f90\nq-e-qe-7.6/PHonon/PH/zstar_eu_us.f90\nq-e-qe-7.6/PHonon/examples/\nq-e-qe-7.6/PHonon/examples/GRID_example/\nq-e-qe-7.6/PHonon/examples/GRID_example/README\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.ph.out0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.7\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.8\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.7\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.8\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.444.fc.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn1.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn2.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn3.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn4.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn5.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn6.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn7.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn8.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.freq\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.freq.rap\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.ph.in0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.ph.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.ph.out0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.1.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.1.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.1.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.2.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.2.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.3.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.3.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.4.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.4.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.5.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.5.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.freq\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.freq.rap\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.modes\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/phdos.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example_1\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example_2\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example_3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/README\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.444.fc\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dispersions.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn0\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn7\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn8\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.collect.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.prep.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.phdos.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/freq.plot\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/phdos.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dispersions.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn0\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn7\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn8\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.ph.collect.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.ph.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.ph.rec.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.phdos.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas444.fc\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/freq.plot\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.modes\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/out.1_0\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/phdos.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/run_example\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/run_example_2\nq-e-qe-7.6/PHonon/examples/Image_example/\nq-e-qe-7.6/PHonon/examples/Image_example/README\nq-e-qe-7.6/PHonon/examples/Image_example/reference/\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.ph.out1\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/out.1_0\nq-e-qe-7.6/PHonon/examples/Image_example/reference/phdos.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn0\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn1\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn2\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn3\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn4\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn5\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn6\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn7\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn8\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn0\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn1\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn10\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn11\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn12\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn13\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn14\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn15\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn16\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn17\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.freq\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.collect.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.disp.collect.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.disp.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.scf.out\nq-e-qe-7.6/PHonon/examples/Image_example/run_example\nq-e-qe-7.6/PHonon/examples/Image_example/run_example_1\nq-e-qe-7.6/PHonon/examples/Partial_example/\nq-e-qe-7.6/PHonon/examples/Partial_example/README\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phA1.out\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phE.out1\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phE.out2\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phG.out\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/Partial_example/run_example\nq-e-qe-7.6/PHonon/examples/README\nq-e-qe-7.6/PHonon/examples/Recover_example/\nq-e-qe-7.6/PHonon/examples/Recover_example/README\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Au.phX_rel.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Au.phX_rel.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Au.scf_rel.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phG_pbe.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phG_pbe.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phX_pbe_one_mode.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phX_pbe_one_mode.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.scf_pbe.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/ni.phX.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/ni.phX.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/si.phG.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/si.phG.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/si.scf.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/Al444.fc\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/Al444.freq\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/Al444.freq.gp\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos10\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos9\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn0\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.elph.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.elph.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.scf.fit.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.scf.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/dyna2F\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.61\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.62\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.63\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.64\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.65\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.66\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.67\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.68\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.69\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.70\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/lambda\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/matdyn.in.dos\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/matdyn.modes\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/matdyn.out.dos\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/phonon.dos\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/q2r.out\nq-e-qe-7.6/PHonon/examples/Recover_example/run_example\nq-e-qe-7.6/PHonon/examples/Recover_example/run_example_1\nq-e-qe-7.6/PHonon/examples/clean_all\nq-e-qe-7.6/PHonon/examples/example01/\nq-e-qe-7.6/PHonon/examples/example01/README\nq-e-qe-7.6/PHonon/examples/example01/reference/\nq-e-qe-7.6/PHonon/examples/example01/reference/c.phG.out\nq-e-qe-7.6/PHonon/examples/example01/reference/c.scf.out\nq-e-qe-7.6/PHonon/examples/example01/reference/ni.phX.out\nq-e-qe-7.6/PHonon/examples/example01/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.phG.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.phX.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.phXsingle.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.scf.out\nq-e-qe-7.6/PHonon/examples/example01/run_example\nq-e-qe-7.6/PHonon/examples/example014/\nq-e-qe-7.6/PHonon/examples/example014/run_example_ep_simple\nq-e-qe-7.6/PHonon/examples/example02/\nq-e-qe-7.6/PHonon/examples/example02/README\nq-e-qe-7.6/PHonon/examples/example02/reference/\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.freq\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/example02/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/example02/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example02/run_example\nq-e-qe-7.6/PHonon/examples/example03/\nq-e-qe-7.6/PHonon/examples/example03/README\nq-e-qe-7.6/PHonon/examples/example03/reference/\nq-e-qe-7.6/PHonon/examples/example03/reference/al.elph.out\nq-e-qe-7.6/PHonon/examples/example03/reference/al.scf.fit.out\nq-e-qe-7.6/PHonon/examples/example03/reference/al.scf.out\nq-e-qe-7.6/PHonon/examples/example03/reference/lambda\nq-e-qe-7.6/PHonon/examples/example03/run_example\nq-e-qe-7.6/PHonon/examples/example04/\nq-e-qe-7.6/PHonon/examples/example04/README\nq-e-qe-7.6/PHonon/examples/example04/reference/\nq-e-qe-7.6/PHonon/examples/example04/reference/ch4.dyn.out\nq-e-qe-7.6/PHonon/examples/example04/reference/ch4.nm.out\nq-e-qe-7.6/PHonon/examples/example04/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/example04/run_example\nq-e-qe-7.6/PHonon/examples/example05/\nq-e-qe-7.6/PHonon/examples/example05/README\nq-e-qe-7.6/PHonon/examples/example05/reference/\nq-e-qe-7.6/PHonon/examples/example05/reference/alas.dynG\nq-e-qe-7.6/PHonon/examples/example05/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/example05/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/example05/run_example\nq-e-qe-7.6/PHonon/examples/example06/\nq-e-qe-7.6/PHonon/examples/example06/README\nq-e-qe-7.6/PHonon/examples/example06/reference/\nq-e-qe-7.6/PHonon/examples/example06/reference/pt.ph.out\nq-e-qe-7.6/PHonon/examples/example06/reference/pt.phX.out\nq-e-qe-7.6/PHonon/examples/example06/reference/pt.scf_ph.out\nq-e-qe-7.6/PHonon/examples/example06/run_example\nq-e-qe-7.6/PHonon/examples/example07/\nq-e-qe-7.6/PHonon/examples/example07/README\nq-e-qe-7.6/PHonon/examples/example07/reference/\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.phG.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.phX.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.phX2.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.phG.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.phX.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.phX2.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.scf.out\nq-e-qe-7.6/PHonon/examples/example07/reference/pt.phG.out\nq-e-qe-7.6/PHonon/examples/example07/reference/pt.phX.out\nq-e-qe-7.6/PHonon/examples/example07/reference/pt.scf.out\nq-e-qe-7.6/PHonon/examples/example07/run_example\nq-e-qe-7.6/PHonon/examples/example08/\nq-e-qe-7.6/PHonon/examples/example08/README\nq-e-qe-7.6/PHonon/examples/example08/reference/\nq-e-qe-7.6/PHonon/examples/example08/reference/Cu.phG_pbe.out\nq-e-qe-7.6/PHonon/examples/example08/reference/Cu.scf_pbe.out\nq-e-qe-7.6/PHonon/examples/example08/reference/c.phG.out\nq-e-qe-7.6/PHonon/examples/example08/reference/c.phX.out\nq-e-qe-7.6/PHonon/examples/example08/reference/c.scf.out\nq-e-qe-7.6/PHonon/examples/example08/reference/ch4.nm.out\nq-e-qe-7.6/PHonon/examples/example08/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/example08/run_example\nq-e-qe-7.6/PHonon/examples/example09/\nq-e-qe-7.6/PHonon/examples/example09/README\nq-e-qe-7.6/PHonon/examples/example09/reference/\nq-e-qe-7.6/PHonon/examples/example09/reference/ch4.fpol.out\nq-e-qe-7.6/PHonon/examples/example09/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/example09/run_example\nq-e-qe-7.6/PHonon/examples/example10/\nq-e-qe-7.6/PHonon/examples/example10/README\nq-e-qe-7.6/PHonon/examples/example10/reference/\nq-e-qe-7.6/PHonon/examples/example10/reference/c.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/c.scf.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2.scf.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2_nc.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2_nc.scf.out\nq-e-qe-7.6/PHonon/examples/example10/reference/si.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/si.scf.out\nq-e-qe-7.6/PHonon/examples/example10/run_example\nq-e-qe-7.6/PHonon/examples/example11/\nq-e-qe-7.6/PHonon/examples/example11/README\nq-e-qe-7.6/PHonon/examples/example11/reference/\nq-e-qe-7.6/PHonon/examples/example11/reference/Au.phG_pz.out\nq-e-qe-7.6/PHonon/examples/example11/reference/Au.phX_pz.out\nq-e-qe-7.6/PHonon/examples/example11/reference/Au.scf_pz.out\nq-e-qe-7.6/PHonon/examples/example11/run_example\nq-e-qe-7.6/PHonon/examples/example12/\nq-e-qe-7.6/PHonon/examples/example12/README\nq-e-qe-7.6/PHonon/examples/example12/reference/\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4-gga.dyn.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4-gga.nm.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4-gga.scf.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4.dyn.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4.nm.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4.scf.out\nq-e-qe-7.6/PHonon/examples/example12/run_example\nq-e-qe-7.6/PHonon/examples/example13/\nq-e-qe-7.6/PHonon/examples/example13/reference/\nq-e-qe-7.6/PHonon/examples/example13/reference/ni.ph.out\nq-e-qe-7.6/PHonon/examples/example13/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/example13/run_example\nq-e-qe-7.6/PHonon/examples/example14/\nq-e-qe-7.6/PHonon/examples/example14/README\nq-e-qe-7.6/PHonon/examples/example14/reference/\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn0\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn1\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn2\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn3\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn4\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn5\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn6\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn7\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn8\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn.freq\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn0\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn1\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn10\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn11\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn12\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn13\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn14\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn15\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn16\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn17\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn2\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn3\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn4\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn5\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn6\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn7\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn8\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn9\nq-e-qe-7.6/PHonon/examples/example14/reference/al.freq\nq-e-qe-7.6/PHonon/examples/example14/reference/al.freq.gp\nq-e-qe-7.6/PHonon/examples/example14/reference/al.ph.disp.out\nq-e-qe-7.6/PHonon/examples/example14/reference/al.ph.out\nq-e-qe-7.6/PHonon/examples/example14/reference/al.scf.out\nq-e-qe-7.6/PHonon/examples/example14/reference/freq.disp.plot\nq-e-qe-7.6/PHonon/examples/example14/reference/freq.plot\nq-e-qe-7.6/PHonon/examples/example14/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/example14/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/example14/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example14/run_example\nq-e-qe-7.6/PHonon/examples/example15/\nq-e-qe-7.6/PHonon/examples/example15/README\nq-e-qe-7.6/PHonon/examples/example15/reference/\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.dm.in\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.dm.out\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.ph.in\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.ph.out\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.scf.in\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.scf.out\nq-e-qe-7.6/PHonon/examples/example15/reference/dmat.co2\nq-e-qe-7.6/PHonon/examples/example15/reference/dmat.zno\nq-e-qe-7.6/PHonon/examples/example15/reference/dynmat.axsf\nq-e-qe-7.6/PHonon/examples/example15/reference/dynmat.mold\nq-e-qe-7.6/PHonon/examples/example15/reference/dynmat.out\nq-e-qe-7.6/PHonon/examples/example15/reference/plot_command_co2.cmd\nq-e-qe-7.6/PHonon/examples/example15/reference/plot_command_zno.cmd\nq-e-qe-7.6/PHonon/examples/example15/reference/plotdata_co2.dat\nq-e-qe-7.6/PHonon/examples/example15/reference/plotdata_zno.dat\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.dm.in\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.dm.out\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.ph.in\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.ph.out\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.scf.in\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.scf.out\nq-e-qe-7.6/PHonon/examples/example15/run_example\nq-e-qe-7.6/PHonon/examples/example16/\nq-e-qe-7.6/PHonon/examples/example16/README\nq-e-qe-7.6/PHonon/examples/example16/reference/\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.rvv10.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.rvv10.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.rvv10.scf.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.scf.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df.scf.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df2.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df2.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df2.scf.out\nq-e-qe-7.6/PHonon/examples/example16/run_example\nq-e-qe-7.6/PHonon/examples/example17/\nq-e-qe-7.6/PHonon/examples/example17/README\nq-e-qe-7.6/PHonon/examples/example17/reference/\nq-e-qe-7.6/PHonon/examples/example17/reference/al.dispersions.ps\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn0\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn1\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn10\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn2\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn3\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn4\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn5\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn6\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn7\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn8\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn9\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.freq\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.freq.gp\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.ph.disp.in\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.ph.disp.out\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.scf.in\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.scf.out\nq-e-qe-7.6/PHonon/examples/example17/reference/bn881.fc\nq-e-qe-7.6/PHonon/examples/example17/reference/freq.disp.plot\nq-e-qe-7.6/PHonon/examples/example17/reference/freq.disp.ps\nq-e-qe-7.6/PHonon/examples/example17/reference/matdyn.in\nq-e-qe-7.6/PHonon/examples/example17/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/example17/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/example17/reference/plotband.in\nq-e-qe-7.6/PHonon/examples/example17/reference/q2r.in\nq-e-qe-7.6/PHonon/examples/example17/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example17/run_example\nq-e-qe-7.6/PHonon/examples/example18/\nq-e-qe-7.6/PHonon/examples/example18/README\nq-e-qe-7.6/PHonon/examples/example18/reference/\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.dynG\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.dynq\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.phG.in\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.phq.in\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.scf.in\nq-e-qe-7.6/PHonon/examples/example18/run_example\nq-e-qe-7.6/PHonon/examples/example19/\nq-e-qe-7.6/PHonon/examples/example19/README\nq-e-qe-7.6/PHonon/examples/example19/reference/\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.coarse.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.coarse.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.fine.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.fine.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn0\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn1\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn2\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn3\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn4\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ifc\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.modes_coarse\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.modes_fine\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.nscf.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.nscf.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ph.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ph.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.scf.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.scf.out\nq-e-qe-7.6/PHonon/examples/example19/reference/dvscfq2r.in\nq-e-qe-7.6/PHonon/examples/example19/reference/dvscfq2r.out\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.coarse.in\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.coarse.out\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.fine.in\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.fine.out\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.coarse.in\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.coarse.out\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.fine.in\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.fine.out\nq-e-qe-7.6/PHonon/examples/example19/reference/q2r.in\nq-e-qe-7.6/PHonon/examples/example19/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_coarse_imag.dat\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_coarse_real.dat\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_fine_imag.dat\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_fine_real.dat\nq-e-qe-7.6/PHonon/examples/example19/run_example\nq-e-qe-7.6/PHonon/examples/run_all_examples\nq-e-qe-7.6/PHonon/examples/tetra_example/\nq-e-qe-7.6/PHonon/examples/tetra_example/README\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.a2F.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn0\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn1\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn1.elph.1\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn10\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn10.elph.10\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn2\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn2.elph.2\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn3\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn3.elph.3\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn4\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn4.elph.4\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn5\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn5.elph.5\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn6\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn6.elph.6\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn7\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn7.elph.7\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn8\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn8.elph.8\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn9\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn9.elph.9\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.elph.in\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.elph.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.ph.in\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.ph.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.scf.in\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.scf.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/aluminum.McMillan.gp\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/aluminum.a2F.dat\nq-e-qe-7.6/PHonon/examples/tetra_example/run_example\nq-e-qe-7.6/PIOUD/\nq-e-qe-7.6/PIOUD/CMakeLists.txt\nq-e-qe-7.6/PIOUD/Makefile\nq-e-qe-7.6/PIOUD/examples/\nq-e-qe-7.6/PIOUD/examples/clean_all\nq-e-qe-7.6/PIOUD/examples/test_example_diamond/\nq-e-qe-7.6/PIOUD/examples/test_example_diamond/run_example\nq-e-qe-7.6/PIOUD/examples/test_example_diamond/script_sub\nq-e-qe-7.6/PIOUD/src/\nq-e-qe-7.6/PIOUD/src/Makefile\nq-e-qe-7.6/PIOUD/src/compute_scf_pioud.f90\nq-e-qe-7.6/PIOUD/src/engine_to_trpmd_nat_alat.f90\nq-e-qe-7.6/PIOUD/src/engine_to_trpmd_pos.f90\nq-e-qe-7.6/PIOUD/src/fcp_opt_routines.f90\nq-e-qe-7.6/PIOUD/src/fcp_variables.f90\nq-e-qe-7.6/PIOUD/src/make.depend\nq-e-qe-7.6/PIOUD/src/makedeps.sh\nq-e-qe-7.6/PIOUD/src/pimd_subrout.f90\nq-e-qe-7.6/PIOUD/src/pimd_utils.f90\nq-e-qe-7.6/PIOUD/src/pimd_variables.f90\nq-e-qe-7.6/PIOUD/src/pioud.f90\nq-e-qe-7.6/PIOUD/src/pw_gen_inputs.f90\nq-e-qe-7.6/PIOUD/src/ring_formats.f90\nq-e-qe-7.6/PIOUD/src/ring_input_parameters_module.f90\nq-e-qe-7.6/PIOUD/src/ring_io_units_module.f90\nq-e-qe-7.6/PIOUD/src/ring_variables.f90\nq-e-qe-7.6/PIOUD/src/set_defaults.f90\nq-e-qe-7.6/PIOUD/src/stop_run_path.f90\nq-e-qe-7.6/PIOUD/src/trpmd_base.f90\nq-e-qe-7.6/PIOUD/src/trpmd_io_routines.f90\nq-e-qe-7.6/PP/\nq-e-qe-7.6/PP/CMakeLists.txt\nq-e-qe-7.6/PP/Doc/\nq-e-qe-7.6/PP/Doc/INPUT_BANDS.def\nq-e-qe-7.6/PP/Doc/INPUT_BAND_INTERPOLATION.def\nq-e-qe-7.6/PP/Doc/INPUT_D3HESS.def\nq-e-qe-7.6/PP/Doc/INPUT_DOS.def\nq-e-qe-7.6/PP/Doc/INPUT_OSCDFT_ET.def\nq-e-qe-7.6/PP/Doc/INPUT_OSCDFT_PP.def\nq-e-qe-7.6/PP/Doc/INPUT_PP.def\nq-e-qe-7.6/PP/Doc/INPUT_PPACF.def\nq-e-qe-7.6/PP/Doc/INPUT_PPRISM.def\nq-e-qe-7.6/PP/Doc/INPUT_PROJWFC.def\nq-e-qe-7.6/PP/Doc/INPUT_bgw2pw.def\nq-e-qe-7.6/PP/Doc/INPUT_molecularpdos.def\nq-e-qe-7.6/PP/Doc/INPUT_pw2bgw.def\nq-e-qe-7.6/PP/Doc/INPUT_pw2gw.def\nq-e-qe-7.6/PP/Doc/INPUT_pw2wannier90.def\nq-e-qe-7.6/PP/Doc/INPUT_wannier2pw.def\nq-e-qe-7.6/PP/Doc/Makefile\nq-e-qe-7.6/PP/Doc/eps_man.tex\nq-e-qe-7.6/PP/Doc/user_guide.tex\nq-e-qe-7.6/PP/Makefile\nq-e-qe-7.6/PP/examples/\nq-e-qe-7.6/PP/examples/ACF_example/\nq-e-qe-7.6/PP/examples/ACF_example/README\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/atoms.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/atoms.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_fock.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_fock.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_plot.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_plot.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_scale.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_scale.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/atoms.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/atoms.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/atoms_ppacf.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_fock.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_fock.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_plot.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_plot.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_scale.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_scale.out\nq-e-qe-7.6/PP/examples/ACF_example/run_example\nq-e-qe-7.6/PP/examples/BGW_example/\nq-e-qe-7.6/PP/examples/BGW_example/README\nq-e-qe-7.6/PP/examples/BGW_example/references/\nq-e-qe-7.6/PP/examples/BGW_example/references/si.pw2bgw.in\nq-e-qe-7.6/PP/examples/BGW_example/references/si.pw2bgw.out\nq-e-qe-7.6/PP/examples/BGW_example/references/si.scf.in\nq-e-qe-7.6/PP/examples/BGW_example/references/si.scf.out\nq-e-qe-7.6/PP/examples/BGW_example/references/vxc.dat\nq-e-qe-7.6/PP/examples/BGW_example/references/vxc0.dat\nq-e-qe-7.6/PP/examples/BGW_example/run_example\nq-e-qe-7.6/PP/examples/CLS_FS_example/\nq-e-qe-7.6/PP/examples/CLS_FS_example/README\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/final-state.txt\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/rh011bulk.scf.out\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/rh011layer1.scf.out\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/rh011surf.scf.out\nq-e-qe-7.6/PP/examples/CLS_FS_example/run_example\nq-e-qe-7.6/PP/examples/CLS_IS_example/\nq-e-qe-7.6/PP/examples/CLS_IS_example/README\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/initial-state.txt\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/rh011slab.istate.out\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/rh011slab.scf.out\nq-e-qe-7.6/PP/examples/CLS_IS_example/run_example\nq-e-qe-7.6/PP/examples/ForceTheorem_example/\nq-e-qe-7.6/PP/examples/ForceTheorem_example/README\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/eband_par.dat\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/eband_per.dat\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/par.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/per.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/proj_par.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/proj_per.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/sr.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/run_example\nq-e-qe-7.6/PP/examples/MolDos_example/\nq-e-qe-7.6/PP/examples/MolDos_example/README\nq-e-qe-7.6/PP/examples/MolDos_example/reference/\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.bands.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.k.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.scf.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.bands.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.k.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.scf.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2_onto_H2.k.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2_onto_H2.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/gnuplot.tmp\nq-e-qe-7.6/PP/examples/MolDos_example/reference/project_chainH2_onto_H2.ps\nq-e-qe-7.6/PP/examples/MolDos_example/run_example\nq-e-qe-7.6/PP/examples/README\nq-e-qe-7.6/PP/examples/W90_open_grid_example/\nq-e-qe-7.6/PP/examples/W90_open_grid_example/README\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.lib.win\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.openg.sa.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.openg.sa.out\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.lib.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.sa.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.sa.out\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.eig\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.nnkp\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.win\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.wout\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.scf.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.scf.out\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/k_points.txt\nq-e-qe-7.6/PP/examples/W90_open_grid_example/run_example\nq-e-qe-7.6/PP/examples/WAN90_example/\nq-e-qe-7.6/PP/examples/WAN90_example/README\nq-e-qe-7.6/PP/examples/WAN90_example/reference/\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.lib.win\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.lib.wout\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.nscf.out\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.pw2wan.lib.out\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.pw2wan.sa.out\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.eig\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.nnkp\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.win\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.wout\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.scf.out\nq-e-qe-7.6/PP/examples/WAN90_example/run_example\nq-e-qe-7.6/PP/examples/WannierHam_example/\nq-e-qe-7.6/PP/examples/WannierHam_example/README\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/NiO.nscf.out\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/NiO.scf.out\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/hamilt.gz\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/wannier_hamilt.out\nq-e-qe-7.6/PP/examples/WannierHam_example/run_example\nq-e-qe-7.6/PP/examples/WorkFct_example/\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.avg.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.avg.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.pp.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.pp.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.avg.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.avg.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.pot\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.pp.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.pp.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.wf.data\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.wf.eps\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Albulkrefpot\nq-e-qe-7.6/PP/examples/WorkFct_example/run_example\nq-e-qe-7.6/PP/examples/clean_all\nq-e-qe-7.6/PP/examples/dipole_example/\nq-e-qe-7.6/PP/examples/dipole_example/README\nq-e-qe-7.6/PP/examples/dipole_example/reference/\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.avg.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.eps\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.pp.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.pp.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.scf.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.scf.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.vpot-z\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.avg.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.eps\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.pp.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.pp.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.scf.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.scf.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.vpot-z\nq-e-qe-7.6/PP/examples/dipole_example/run_example\nq-e-qe-7.6/PP/examples/example01/\nq-e-qe-7.6/PP/examples/example01/README\nq-e-qe-7.6/PP/examples/example01/reference/\nq-e-qe-7.6/PP/examples/example01/reference/si.band.out\nq-e-qe-7.6/PP/examples/example01/reference/si.bands.out\nq-e-qe-7.6/PP/examples/example01/reference/si.plotband.out\nq-e-qe-7.6/PP/examples/example01/reference/si.plotrho.out\nq-e-qe-7.6/PP/examples/example01/reference/si.pp_rho.out\nq-e-qe-7.6/PP/examples/example01/reference/si.rho.dat\nq-e-qe-7.6/PP/examples/example01/reference/si.rho.ps\nq-e-qe-7.6/PP/examples/example01/reference/si.scf.out\nq-e-qe-7.6/PP/examples/example01/reference/sibands.dat\nq-e-qe-7.6/PP/examples/example01/reference/sibands.dat.rap\nq-e-qe-7.6/PP/examples/example01/reference/sibands.ps\nq-e-qe-7.6/PP/examples/example01/reference/sicharge\nq-e-qe-7.6/PP/examples/example01/run_example\nq-e-qe-7.6/PP/examples/example02/\nq-e-qe-7.6/PP/examples/example02/README\nq-e-qe-7.6/PP/examples/example02/reference/\nq-e-qe-7.6/PP/examples/example02/reference/FS.in\nq-e-qe-7.6/PP/examples/example02/reference/FS.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos2.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos2.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_NSP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_NSP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_SP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_SP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos_atm#1(Ni)_wfc#1(s)\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos_atm#1(Ni)_wfc#2(d)\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos_tot\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf0.NSP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf0.SP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf_NSP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf_SP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni_fs.bxsf\nq-e-qe-7.6/PP/examples/example02/reference/ni_fsdw.bxsf\nq-e-qe-7.6/PP/examples/example02/reference/ni_fsup.bxsf\nq-e-qe-7.6/PP/examples/example02/run_example\nq-e-qe-7.6/PP/examples/example03/\nq-e-qe-7.6/PP/examples/example03/README\nq-e-qe-7.6/PP/examples/example03/reference/\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110+1.0eV.ps\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110-1.0eV.ps\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.box.projwfc.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.box.projwfc.ps\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.ldos_boxes\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.pp_stm+.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.pp_stm-.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110re.nonscf.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110re.scf.out\nq-e-qe-7.6/PP/examples/example03/run_example\nq-e-qe-7.6/PP/examples/example04/\nq-e-qe-7.6/PP/examples/example04/README\nq-e-qe-7.6/PP/examples/example04/reference/\nq-e-qe-7.6/PP/examples/example04/reference/pt.bands.out\nq-e-qe-7.6/PP/examples/example04/reference/pt.nscf.out\nq-e-qe-7.6/PP/examples/example04/reference/pt.pdos.out\nq-e-qe-7.6/PP/examples/example04/reference/pt.scf.out\nq-e-qe-7.6/PP/examples/example04/run_example\nq-e-qe-7.6/PP/examples/example05/\nq-e-qe-7.6/PP/examples/example05/README\nq-e-qe-7.6/PP/examples/example05/reference/\nq-e-qe-7.6/PP/examples/example05/reference/feo_LDA.in\nq-e-qe-7.6/PP/examples/example05/reference/feo_wannier.in\nq-e-qe-7.6/PP/examples/example05/reference/pmw.in\nq-e-qe-7.6/PP/examples/example05/run_example\nq-e-qe-7.6/PP/examples/example06/\nq-e-qe-7.6/PP/examples/example06/README\nq-e-qe-7.6/PP/examples/example06/reference/\nq-e-qe-7.6/PP/examples/example06/reference/Fe.band_pbe.out\nq-e-qe-7.6/PP/examples/example06/reference/Fe.bands.out\nq-e-qe-7.6/PP/examples/example06/reference/Fe.scf_pbe.out\nq-e-qe-7.6/PP/examples/example06/reference/fe.bands.ps\nq-e-qe-7.6/PP/examples/example06/reference/plotband.out\nq-e-qe-7.6/PP/examples/example06/run_example\nq-e-qe-7.6/PP/examples/example07/\nq-e-qe-7.6/PP/examples/example07/README\nq-e-qe-7.6/PP/examples/example07/reference1/\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.nscf.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.pw2wan.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.scf-wan.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.scf.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.wan2pw.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.win\nq-e-qe-7.6/PP/examples/example07/reference2/\nq-e-qe-7.6/PP/examples/example07/reference2/MnO.nscf.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO.scf-wan.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO.scf.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_down.pw2wan.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_down.wan2pw.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_down.win\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_up.pw2wan.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_up.wan2pw.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_up.win\nq-e-qe-7.6/PP/examples/example07/run_example1\nq-e-qe-7.6/PP/examples/example07/run_example2\nq-e-qe-7.6/PP/examples/example08/\nq-e-qe-7.6/PP/examples/example08/README\nq-e-qe-7.6/PP/examples/example08/reference/\nq-e-qe-7.6/PP/examples/example08/reference/TiO2.pp.in\nq-e-qe-7.6/PP/examples/example08/reference/TiO2.scf.in\nq-e-qe-7.6/PP/examples/example08/run_example\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/README\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier-diff.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/log.pbe0.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/out.fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/out.fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/pbe0.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier-diff.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/log.pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/out.fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/out.fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw-sphere.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw-sphere.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/log.pbe.scf.nosym.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/out.idw-sphere.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/out.idw.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/pbe.scf.nosym.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.bands.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.nscf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.pp.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat.gnu\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat.rap\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.nscf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.pp.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/README\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/bands.dat\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.bands.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.bands.out\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.plotband.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.plotband.out\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.scf.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.scf.out\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/sibands-p.dat\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/sibands.dat\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/sibands.dat.gnu\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/run_example\nq-e-qe-7.6/PP/examples/fermisurf_example/\nq-e-qe-7.6/PP/examples/fermisurf_example/README\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/FS_b2pz.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/FS_vf.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/b2pz.frmsf\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#1(Mg)_wfc#1(s)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#1(Mg)_wfc#2(p)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#2(B)_wfc#1(s)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#2(B)_wfc#2(p)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#3(B)_wfc#1(s)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#3(B)_wfc#2(p)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_tot\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.proj.in\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.proj.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.scf.in\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.scf.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/vfermi.frmsf\nq-e-qe-7.6/PP/examples/fermisurf_example/run_example\nq-e-qe-7.6/PP/examples/projected_bands_example/\nq-e-qe-7.6/PP/examples/projected_bands_example/README\nq-e-qe-7.6/PP/examples/projected_bands_example/projwfc_to_bands.awk\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/ni.kpdos_dw.png\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/ni.kpdos_up.png\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/pt.s-bands.png\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/silicene.projbands.png\nq-e-qe-7.6/PP/examples/projected_bands_example/run_example\nq-e-qe-7.6/PP/examples/pw2gw_example/\nq-e-qe-7.6/PP/examples/pw2gw_example/README\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/bn.nscf.out.xz\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/bn.pw2gw.out.xz\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/bn.scf.out\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsTOT.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsX.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsY.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsZ.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/k.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/matrixelements.xz\nq-e-qe-7.6/PP/examples/pw2gw_example/run_example\nq-e-qe-7.6/PP/examples/run_all_examples\nq-e-qe-7.6/PP/simple_transport/\nq-e-qe-7.6/PP/simple_transport/README\nq-e-qe-7.6/PP/simple_transport/examples/\nq-e-qe-7.6/PP/simple_transport/examples/eg_ef/\nq-e-qe-7.6/PP/simple_transport/examples/eg_ef/out.32\nq-e-qe-7.6/PP/simple_transport/examples/eg_ef/run_ef\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/README\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/Def_0.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/Se_0.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/sig_0.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/run_0\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/README\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/dop_vs_ef\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+18.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+19.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+20.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+21.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+18.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+19.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+20.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+21.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+18\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+19\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+20\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+21\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+18.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+19.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+20.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+21.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/run_1\nq-e-qe-7.6/PP/simple_transport/examples/scf/\nq-e-qe-7.6/PP/simple_transport/examples/scf/As.pbe-n-kjpaw_psl.0.2.upf\nq-e-qe-7.6/PP/simple_transport/examples/scf/Ga.pbe-dn-kjpaw_psl.0.2.upf\nq-e-qe-7.6/PP/simple_transport/examples/scf/info-q\nq-e-qe-7.6/PP/simple_transport/examples/scf/reference/\nq-e-qe-7.6/PP/simple_transport/examples/scf/reference/GaAs.32.a2Fsave\nq-e-qe-7.6/PP/simple_transport/examples/scf/reference/GaAs.scf.out\nq-e-qe-7.6/PP/simple_transport/examples/scf/run_GaAs_scf\nq-e-qe-7.6/PP/simple_transport/src/\nq-e-qe-7.6/PP/simple_transport/src/Makefile\nq-e-qe-7.6/PP/simple_transport/src/cryst_to_car.f90\nq-e-qe-7.6/PP/simple_transport/src/dos.f90\nq-e-qe-7.6/PP/simple_transport/src/ef.f90\nq-e-qe-7.6/PP/simple_transport/src/fermi_int_0.f90\nq-e-qe-7.6/PP/simple_transport/src/fermi_int_1.f90\nq-e-qe-7.6/PP/simple_transport/src/lint.f90\nq-e-qe-7.6/PP/simple_transport/src/reducegrid.f90\nq-e-qe-7.6/PP/simple_transport/src/smearing_mod.f90\nq-e-qe-7.6/PP/simple_transport/src/vband_ibz.f90\nq-e-qe-7.6/PP/src/\nq-e-qe-7.6/PP/src/Makefile\nq-e-qe-7.6/PP/src/add_shift_cc.f90\nq-e-qe-7.6/PP/src/add_shift_lc.f90\nq-e-qe-7.6/PP/src/add_shift_us.f90\nq-e-qe-7.6/PP/src/adduscore.f90\nq-e-qe-7.6/PP/src/addusdens1d.f90\nq-e-qe-7.6/PP/src/average.f90\nq-e-qe-7.6/PP/src/band_interpolation.f90\nq-e-qe-7.6/PP/src/bands.f90\nq-e-qe-7.6/PP/src/bgw2pw.f90.orig\nq-e-qe-7.6/PP/src/chdens_bspline.f90\nq-e-qe-7.6/PP/src/chdens_bspline_sphere.f90\nq-e-qe-7.6/PP/src/chdens_module.f90\nq-e-qe-7.6/PP/src/compute_ppsi.f90\nq-e-qe-7.6/PP/src/compute_sigma_avg.f90\nq-e-qe-7.6/PP/src/cube.f90\nq-e-qe-7.6/PP/src/d3hess.f90\nq-e-qe-7.6/PP/src/d_matrix_nc.f90\nq-e-qe-7.6/PP/src/d_matrix_so.f90\nq-e-qe-7.6/PP/src/do_initial_state.f90\nq-e-qe-7.6/PP/src/do_shift_ew.f90\nq-e-qe-7.6/PP/src/dos.f90\nq-e-qe-7.6/PP/src/dosg.f90\nq-e-qe-7.6/PP/src/elf.f90\nq-e-qe-7.6/PP/src/epsilon.f90\nq-e-qe-7.6/PP/src/fermi_proj.f90\nq-e-qe-7.6/PP/src/fermi_velocity.f90\nq-e-qe-7.6/PP/src/fermisurface.f90\nq-e-qe-7.6/PP/src/fermisurfer_common.f90\nq-e-qe-7.6/PP/src/fft_interpolation_mod.f90\nq-e-qe-7.6/PP/src/fouriermod.f90\nq-e-qe-7.6/PP/src/ggen1d.f90\nq-e-qe-7.6/PP/src/globalmod.f90\nq-e-qe-7.6/PP/src/hubbard_projectors.f90\nq-e-qe-7.6/PP/src/idwmod.f90\nq-e-qe-7.6/PP/src/initial_state.f90\nq-e-qe-7.6/PP/src/lebedev.f90\nq-e-qe-7.6/PP/src/local_dos.f90\nq-e-qe-7.6/PP/src/local_dos1d.f90\nq-e-qe-7.6/PP/src/local_dos_mag.f90\nq-e-qe-7.6/PP/src/molecularpdos.f90\nq-e-qe-7.6/PP/src/open_grid.f90\nq-e-qe-7.6/PP/src/openfil_pp.f90\nq-e-qe-7.6/PP/src/oscdft_et.f90\nq-e-qe-7.6/PP/src/oscdft_et_mod.f90\nq-e-qe-7.6/PP/src/oscdft_pp.f90\nq-e-qe-7.6/PP/src/oscdft_pp_mod.f90\nq-e-qe-7.6/PP/src/partialdos.f90\nq-e-qe-7.6/PP/src/paw_postproc.f90\nq-e-qe-7.6/PP/src/pawplot.f90\nq-e-qe-7.6/PP/src/plan_avg.f90\nq-e-qe-7.6/PP/src/plotband.f90\nq-e-qe-7.6/PP/src/plotproj.f90\nq-e-qe-7.6/PP/src/plotrho.f90\nq-e-qe-7.6/PP/src/poormanwannier.f90\nq-e-qe-7.6/PP/src/postproc.f90\nq-e-qe-7.6/PP/src/postrism.f90\nq-e-qe-7.6/PP/src/pp_example.f90\nq-e-qe-7.6/PP/src/ppacf.f90\nq-e-qe-7.6/PP/src/projections_mod.f90\nq-e-qe-7.6/PP/src/projwfc.f90\nq-e-qe-7.6/PP/src/projwfc_box.f90\nq-e-qe-7.6/PP/src/punch_plot.f90\nq-e-qe-7.6/PP/src/punch_rism.f90\nq-e-qe-7.6/PP/src/pw2bgw.f90\nq-e-qe-7.6/PP/src/pw2critic.f90\nq-e-qe-7.6/PP/src/pw2gt.f90\nq-e-qe-7.6/PP/src/pw2gw.f90\nq-e-qe-7.6/PP/src/pw2wannier90.f90\nq-e-qe-7.6/PP/src/read_proj.f90\nq-e-qe-7.6/PP/src/smallgk.f90\nq-e-qe-7.6/PP/src/solvdens.f90\nq-e-qe-7.6/PP/src/stm.f90\nq-e-qe-7.6/PP/src/stop_pp.f90\nq-e-qe-7.6/PP/src/sum_band_kin.f90\nq-e-qe-7.6/PP/src/sumpdos.f90\nq-e-qe-7.6/PP/src/sym_band.f90\nq-e-qe-7.6/PP/src/vasp_read_chgcar_mod.f90\nq-e-qe-7.6/PP/src/vasp_xml_module.f90\nq-e-qe-7.6/PP/src/wannier2pw.f90\nq-e-qe-7.6/PP/src/wannier_enrg.f90\nq-e-qe-7.6/PP/src/wannier_ham.f90\nq-e-qe-7.6/PP/src/wannier_mod.f90\nq-e-qe-7.6/PP/src/wannier_plot.f90\nq-e-qe-7.6/PP/src/wannier_proj.f90\nq-e-qe-7.6/PP/src/wfck2r.f90\nq-e-qe-7.6/PP/src/work_function.f90\nq-e-qe-7.6/PP/src/write_hamiltonians.f90\nq-e-qe-7.6/PP/src/write_io_header.f90\nq-e-qe-7.6/PP/src/write_p_avg.f90\nq-e-qe-7.6/PP/src/write_proj.f90\nq-e-qe-7.6/PP/src/xc_vdW_scale_mod.f90\nq-e-qe-7.6/PP/tools/\nq-e-qe-7.6/PP/tools/sum_states.py\nq-e-qe-7.6/PW/\nq-e-qe-7.6/PW/CMakeLists.txt\nq-e-qe-7.6/PW/Doc/\nq-e-qe-7.6/PW/Doc/INPUT_OSCDFT.def\nq-e-qe-7.6/PW/Doc/INPUT_PW.def\nq-e-qe-7.6/PW/Doc/Makefile\nq-e-qe-7.6/PW/Doc/user_guide.tex\nq-e-qe-7.6/PW/Ford.md\nq-e-qe-7.6/PW/Ford/\nq-e-qe-7.6/PW/Ford/index.md\nq-e-qe-7.6/PW/Makefile\nq-e-qe-7.6/PW/examples/\nq-e-qe-7.6/PW/examples/ESM_example/\nq-e-qe-7.6/PW/examples/ESM_example/README\nq-e-qe-7.6/PW/examples/ESM_example/reference/\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc1.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc1.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc1.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_efield.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_efield.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_efield.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_m002.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_m002.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_m002.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_p002.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_p002.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_p002.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_pbc.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_pbc.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_pbc.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_bc1.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_bc1.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_bc1.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_pbc.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_pbc.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_pbc.xml\nq-e-qe-7.6/PW/examples/ESM_example/run_example\nq-e-qe-7.6/PW/examples/ESM_example/run_example_ESM\nq-e-qe-7.6/PW/examples/ESM_example/run_example_FCP\nq-e-qe-7.6/PW/examples/ESM_example/run_example_GCSCF\nq-e-qe-7.6/PW/examples/EXX_example/\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/CPBE085nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/CPBE1nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/NPBE085nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/NPBE1nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/OPBE085nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/OPBE1nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/README\nq-e-qe-7.6/PW/examples/EXX_example/README.gaupbe\nq-e-qe-7.6/PW/examples/EXX_example/reference/\nq-e-qe-7.6/PW/examples/EXX_example/reference/c.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/c.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/c.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/co.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/co.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/co.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n2.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n2.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n2.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o2.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o2.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o2.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.PBE0_nq=1.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.PBE0_nq=2.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.PBE0_nq=4.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.gaupbe_nq=1.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.gaupbe_nq=2.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.gaupbe_nq=4.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.hse_nq=1.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.hse_nq=2.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.hse_nq=4.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/summarize\nq-e-qe-7.6/PW/examples/EXX_example/run_example\nq-e-qe-7.6/PW/examples/Extffield_example/\nq-e-qe-7.6/PW/examples/Extffield_example/README\nq-e-qe-7.6/PW/examples/Extffield_example/reference/\nq-e-qe-7.6/PW/examples/Extffield_example/reference/SiH4.extffield\nq-e-qe-7.6/PW/examples/Extffield_example/reference/SiH4.inp\nq-e-qe-7.6/PW/examples/Extffield_example/reference/SiH4.out\nq-e-qe-7.6/PW/examples/Extffield_example/reference/extffield.dat\nq-e-qe-7.6/PW/examples/Extffield_example/run_example\nq-e-qe-7.6/PW/examples/README\nq-e-qe-7.6/PW/examples/RISM_example/\nq-e-qe-7.6/PW/examples/RISM_example/MOL/\nq-e-qe-7.6/PW/examples/RISM_example/MOL/Cl-.aq.MOL\nq-e-qe-7.6/PW/examples/RISM_example/MOL/Ethanol.oplsua.MOL\nq-e-qe-7.6/PW/examples/RISM_example/MOL/H2O.spc.MOL\nq-e-qe-7.6/PW/examples/RISM_example/MOL/Na+.aq.MOL\nq-e-qe-7.6/PW/examples/RISM_example/README\nq-e-qe-7.6/PW/examples/RISM_example/reference/\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.esm1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.rism1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.esm1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.rism1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/H2O.NaCl_aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/H2O.NaCl_aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/H2O.NaCl_aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/HCHO.aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/HCHO.aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/HCHO.aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.esm1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.rism1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.xml\nq-e-qe-7.6/PW/examples/RISM_example/run_example\nq-e-qe-7.6/PW/examples/RISM_example/run_example_3D-RISM\nq-e-qe-7.6/PW/examples/RISM_example/run_example_ESM-RISM\nq-e-qe-7.6/PW/examples/VCSexample/\nq-e-qe-7.6/PW/examples/VCSexample/README\nq-e-qe-7.6/PW/examples/VCSexample/reference/\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.bfgs00.out\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.bfgs500.out\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.vcs00.out\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.vcs500.out\nq-e-qe-7.6/PW/examples/VCSexample/run_example\nq-e-qe-7.6/PW/examples/clean_all\nq-e-qe-7.6/PW/examples/cluster_example/\nq-e-qe-7.6/PW/examples/cluster_example/README\nq-e-qe-7.6/PW/examples/cluster_example/reference/\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.eigenvalues\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-12\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-16\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-20\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-24\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.eigenvalues\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-12\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-16\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-20\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-24\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.eigenvalues\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-12\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-16\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-20\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-24\nq-e-qe-7.6/PW/examples/cluster_example/run_example\nq-e-qe-7.6/PW/examples/dftd3_example/\nq-e-qe-7.6/PW/examples/dftd3_example/reference/\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d2.in\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d2.out\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d3.in\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d3.out\nq-e-qe-7.6/PW/examples/dftd3_example/run_example\nq-e-qe-7.6/PW/examples/example01/\nq-e-qe-7.6/PW/examples/example01/README\nq-e-qe-7.6/PW/examples/example01/reference/\nq-e-qe-7.6/PW/examples/example01/reference/al.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/al.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/al.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/al.scf.david.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.scf.david.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.scf.david.out\nq-e-qe-7.6/PW/examples/example01/reference/si.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/si.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/si.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/si.scf.david.out\nq-e-qe-7.6/PW/examples/example01/run_example\nq-e-qe-7.6/PW/examples/example02/\nq-e-qe-7.6/PW/examples/example02/README\nq-e-qe-7.6/PW/examples/example02/reference/\nq-e-qe-7.6/PW/examples/example02/reference/al001.mm.out\nq-e-qe-7.6/PW/examples/example02/reference/al001.rx.out\nq-e-qe-7.6/PW/examples/example02/reference/co.rx.out\nq-e-qe-7.6/PW/examples/example02/run_example\nq-e-qe-7.6/PW/examples/example03/\nq-e-qe-7.6/PW/examples/example03/README\nq-e-qe-7.6/PW/examples/example03/reference/\nq-e-qe-7.6/PW/examples/example03/reference/si.md2.out\nq-e-qe-7.6/PW/examples/example03/reference/si.md2_G3X.out\nq-e-qe-7.6/PW/examples/example03/reference/si.md8.out\nq-e-qe-7.6/PW/examples/example03/run_example\nq-e-qe-7.6/PW/examples/example04/\nq-e-qe-7.6/PW/examples/example04/README\nq-e-qe-7.6/PW/examples/example04/reference/\nq-e-qe-7.6/PW/examples/example04/reference/BP.out\nq-e-qe-7.6/PW/examples/example04/reference/chg.out\nq-e-qe-7.6/PW/examples/example04/run_example\nq-e-qe-7.6/PW/examples/example05/\nq-e-qe-7.6/PW/examples/example05/README\nq-e-qe-7.6/PW/examples/example05/reference/\nq-e-qe-7.6/PW/examples/example05/reference/Ni_gamma_d8s2.out\nq-e-qe-7.6/PW/examples/example05/reference/Ni_gamma_d9s1.out\nq-e-qe-7.6/PW/examples/example05/reference/O.out\nq-e-qe-7.6/PW/examples/example05/reference/O_gamma.out\nq-e-qe-7.6/PW/examples/example05/reference/al.out\nq-e-qe-7.6/PW/examples/example05/run_example\nq-e-qe-7.6/PW/examples/example06/\nq-e-qe-7.6/PW/examples/example06/README\nq-e-qe-7.6/PW/examples/example06/reference/\nq-e-qe-7.6/PW/examples/example06/reference/cu.band.out\nq-e-qe-7.6/PW/examples/example06/reference/cu.cg.out\nq-e-qe-7.6/PW/examples/example06/reference/cu.scf.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.angl.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.band.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.pen.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.scf.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.total.out\nq-e-qe-7.6/PW/examples/example06/reference/ni.band.out\nq-e-qe-7.6/PW/examples/example06/reference/ni.scf.out\nq-e-qe-7.6/PW/examples/example06/reference/o2.relax.out\nq-e-qe-7.6/PW/examples/example06/run_example\nq-e-qe-7.6/PW/examples/example07/\nq-e-qe-7.6/PW/examples/example07/README\nq-e-qe-7.6/PW/examples/example07/reference/\nq-e-qe-7.6/PW/examples/example07/reference/bands.pt.re\nq-e-qe-7.6/PW/examples/example07/reference/pt.nscf.out\nq-e-qe-7.6/PW/examples/example07/reference/pt.scf.out\nq-e-qe-7.6/PW/examples/example07/run_example\nq-e-qe-7.6/PW/examples/example08/\nq-e-qe-7.6/PW/examples/example08/README\nq-e-qe-7.6/PW/examples/example08/reference/\nq-e-qe-7.6/PW/examples/example08/reference/feo_LDA.in\nq-e-qe-7.6/PW/examples/example08/reference/feo_standard.in\nq-e-qe-7.6/PW/examples/example08/reference/feo_user_ns.in\nq-e-qe-7.6/PW/examples/example08/run_example\nq-e-qe-7.6/PW/examples/example09/\nq-e-qe-7.6/PW/examples/example09/README\nq-e-qe-7.6/PW/examples/example09/reference/\nq-e-qe-7.6/PW/examples/example09/reference/c4h6.pw.metaGGA.out\nq-e-qe-7.6/PW/examples/example09/run_example\nq-e-qe-7.6/PW/examples/example10/\nq-e-qe-7.6/PW/examples/example10/README\nq-e-qe-7.6/PW/examples/example10/reference/\nq-e-qe-7.6/PW/examples/example10/reference/alas.scf.efield.out\nq-e-qe-7.6/PW/examples/example10/reference/alas.scf.efield2.out\nq-e-qe-7.6/PW/examples/example10/reference/si.scf.efield.out\nq-e-qe-7.6/PW/examples/example10/reference/si.scf.efield2.out\nq-e-qe-7.6/PW/examples/example10/run_example\nq-e-qe-7.6/PW/examples/example11/\nq-e-qe-7.6/PW/examples/example11/README\nq-e-qe-7.6/PW/examples/example11/reference/\nq-e-qe-7.6/PW/examples/example11/reference/Fe.band_pbe.out\nq-e-qe-7.6/PW/examples/example11/reference/Fe.scf_pbe.out\nq-e-qe-7.6/PW/examples/example11/run_example\nq-e-qe-7.6/PW/examples/example12/\nq-e-qe-7.6/PW/examples/example12/README\nq-e-qe-7.6/PW/examples/example12/reference/\nq-e-qe-7.6/PW/examples/example12/reference/Fe.bands.in\nq-e-qe-7.6/PW/examples/example12/reference/Fe.bands.out\nq-e-qe-7.6/PW/examples/example12/reference/Fe.scf.in\nq-e-qe-7.6/PW/examples/example12/reference/Fe.scf.out\nq-e-qe-7.6/PW/examples/example12/run_example\nq-e-qe-7.6/PW/examples/example13/\nq-e-qe-7.6/PW/examples/example13/reference/\nq-e-qe-7.6/PW/examples/example13/reference/LiCoO2.scf.in\nq-e-qe-7.6/PW/examples/example13/reference/LiCoO2.scf.out\nq-e-qe-7.6/PW/examples/example13/run_example\nq-e-qe-7.6/PW/examples/example14/\nq-e-qe-7.6/PW/examples/example14/README\nq-e-qe-7.6/PW/examples/example14/reference/\nq-e-qe-7.6/PW/examples/example14/reference/srvo3.dmft_scf.out\nq-e-qe-7.6/PW/examples/example14/reference/srvo3.nscf.out\nq-e-qe-7.6/PW/examples/example14/reference/srvo3.scf.out\nq-e-qe-7.6/PW/examples/example14/run_example\nq-e-qe-7.6/PW/examples/example14/srvo3_dmft.h5\nq-e-qe-7.6/PW/examples/example15/\nq-e-qe-7.6/PW/examples/example15/README\nq-e-qe-7.6/PW/examples/example15/reference1/\nq-e-qe-7.6/PW/examples/example15/reference1/FeO.scf.in\nq-e-qe-7.6/PW/examples/example15/reference1/oscdft.in\nq-e-qe-7.6/PW/examples/example15/reference2/\nq-e-qe-7.6/PW/examples/example15/reference2/FeO.scf.in\nq-e-qe-7.6/PW/examples/example15/reference2/oscdft.in\nq-e-qe-7.6/PW/examples/example15/run1\nq-e-qe-7.6/PW/examples/example15/run2\nq-e-qe-7.6/PW/examples/example16/\nq-e-qe-7.6/PW/examples/example16/README\nq-e-qe-7.6/PW/examples/example16/reference/\nq-e-qe-7.6/PW/examples/example16/reference/LiCoO2.scf.1.in\nq-e-qe-7.6/PW/examples/example16/reference/LiCoO2.scf.2.in\nq-e-qe-7.6/PW/examples/example16/run_example\nq-e-qe-7.6/PW/examples/example17/\nq-e-qe-7.6/PW/examples/example17/README\nq-e-qe-7.6/PW/examples/example17/reference/\nq-e-qe-7.6/PW/examples/example17/reference/LiCoO2.scf.in\nq-e-qe-7.6/PW/examples/example17/run_example\nq-e-qe-7.6/PW/examples/gammaDFT_example/\nq-e-qe-7.6/PW/examples/gammaDFT_example/README\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/MgO_1.in\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/MgO_2.in\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/MgO_3.in\nq-e-qe-7.6/PW/examples/gammaDFT_example/run_example\nq-e-qe-7.6/PW/examples/gatefield/\nq-e-qe-7.6/PW/examples/gatefield/reference/\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.bands.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.bands.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.bands.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.bands.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_-0.10.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_-0.10.out\nq-e-qe-7.6/PW/examples/gatefield/run_example\nq-e-qe-7.6/PW/examples/run_all_examples\nq-e-qe-7.6/PW/examples/vdwDF_example/\nq-e-qe-7.6/PW/examples/vdwDF_example/README\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/Ar.scf.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/graphite.scf.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/water.scf.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/graphite.scf.+1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/graphite.scf.-1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/graphite.scf.0.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/water.scf.+1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/water.scf.-1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/water.scf.0.out\nq-e-qe-7.6/PW/examples/vdwDF_example/run_example\nq-e-qe-7.6/PW/examples/vdwDF_example/run_example_delta_scf\nq-e-qe-7.6/PW/src/\nq-e-qe-7.6/PW/src/Coul_cut_2D.f90\nq-e-qe-7.6/PW/src/Makefile\nq-e-qe-7.6/PW/src/a2fmod.f90\nq-e-qe-7.6/PW/src/acfdt_in_pw.f90\nq-e-qe-7.6/PW/src/add_bfield.f90\nq-e-qe-7.6/PW/src/add_dmft_occ.f90\nq-e-qe-7.6/PW/src/add_efield.f90\nq-e-qe-7.6/PW/src/add_gatefield.f90\nq-e-qe-7.6/PW/src/add_paw_to_deeq.f90\nq-e-qe-7.6/PW/src/add_paw_to_deeq_acc.f90\nq-e-qe-7.6/PW/src/add_qexsd_step.f90\nq-e-qe-7.6/PW/src/add_vhub_to_deeq.f90\nq-e-qe-7.6/PW/src/add_vhub_to_deeq_acc.f90\nq-e-qe-7.6/PW/src/add_vuspsi.f90\nq-e-qe-7.6/PW/src/add_vuspsi_acc.f90\nq-e-qe-7.6/PW/src/addusdens.f90\nq-e-qe-7.6/PW/src/addusforce.f90\nq-e-qe-7.6/PW/src/addusstress.f90\nq-e-qe-7.6/PW/src/allocate_fft.f90\nq-e-qe-7.6/PW/src/allocate_locpot.f90\nq-e-qe-7.6/PW/src/allocate_wfc.f90\nq-e-qe-7.6/PW/src/atomic_rho.f90\nq-e-qe-7.6/PW/src/atomic_wfc.f90\nq-e-qe-7.6/PW/src/atomic_wfc_mod.f90\nq-e-qe-7.6/PW/src/average_pp.f90\nq-e-qe-7.6/PW/src/beef.f90\nq-e-qe-7.6/PW/src/bp_c_phase.f90\nq-e-qe-7.6/PW/src/bp_mod.f90\nq-e-qe-7.6/PW/src/bp_strings.f90\nq-e-qe-7.6/PW/src/buffers.f90\nq-e-qe-7.6/PW/src/c_bands.f90\nq-e-qe-7.6/PW/src/c_phase_field.f90\nq-e-qe-7.6/PW/src/cdiagh.f90\nq-e-qe-7.6/PW/src/clean_pw.f90\nq-e-qe-7.6/PW/src/close_files.f90\nq-e-qe-7.6/PW/src/commutator_Hx_psi.f90\nq-e-qe-7.6/PW/src/commutator_Vhubx_psi.f90\nq-e-qe-7.6/PW/src/compute_becsum.f90\nq-e-qe-7.6/PW/src/compute_deff.f90\nq-e-qe-7.6/PW/src/compute_dip.f90\nq-e-qe-7.6/PW/src/compute_qdipol.f90\nq-e-qe-7.6/PW/src/compute_qdipol_so.f90\nq-e-qe-7.6/PW/src/compute_rho.f90\nq-e-qe-7.6/PW/src/compute_ux.f90\nq-e-qe-7.6/PW/src/d3hess_mod.f90\nq-e-qe-7.6/PW/src/d_matrix.f90\nq-e-qe-7.6/PW/src/data_structure.f90\nq-e-qe-7.6/PW/src/diag_direct.f90\nq-e-qe-7.6/PW/src/divide_class.f90\nq-e-qe-7.6/PW/src/divide_class_so.f90\nq-e-qe-7.6/PW/src/divide_et_impera.f90\nq-e-qe-7.6/PW/src/dynamics_module.f90\nq-e-qe-7.6/PW/src/efermig.f90\nq-e-qe-7.6/PW/src/efermit.f90\nq-e-qe-7.6/PW/src/electrons.f90\nq-e-qe-7.6/PW/src/environ_io_stub.f90\nq-e-qe-7.6/PW/src/environ_pw_module.f90\nq-e-qe-7.6/PW/src/eqvect.f90\nq-e-qe-7.6/PW/src/esm.f90\nq-e-qe-7.6/PW/src/esm_common_mod.f90\nq-e-qe-7.6/PW/src/esm_ewald_mod.f90\nq-e-qe-7.6/PW/src/esm_force_mod.f90\nq-e-qe-7.6/PW/src/esm_hartree_mod.f90\nq-e-qe-7.6/PW/src/esm_local_mod.f90\nq-e-qe-7.6/PW/src/esm_stres_mod.f90\nq-e-qe-7.6/PW/src/ewald.f90\nq-e-qe-7.6/PW/src/ewald_dipole.f90\nq-e-qe-7.6/PW/src/extfield.f90\nq-e-qe-7.6/PW/src/exx.f90\nq-e-qe-7.6/PW/src/exx_base.f90\nq-e-qe-7.6/PW/src/exx_bp.f90\nq-e-qe-7.6/PW/src/exx_bp_utils.f90\nq-e-qe-7.6/PW/src/exx_std.f90\nq-e-qe-7.6/PW/src/fcp_capacitance.f90\nq-e-qe-7.6/PW/src/fcp_dyn_calcavg.f90\nq-e-qe-7.6/PW/src/fcp_dyn_printavg.f90\nq-e-qe-7.6/PW/src/fcp_dynamics.f90\nq-e-qe-7.6/PW/src/fcp_hessian.f90\nq-e-qe-7.6/PW/src/fcp_input.f90\nq-e-qe-7.6/PW/src/fcp_module.f90\nq-e-qe-7.6/PW/src/fcp_relaxation.f90\nq-e-qe-7.6/PW/src/find_group.f90\nq-e-qe-7.6/PW/src/force_cc.f90\nq-e-qe-7.6/PW/src/force_corr.f90\nq-e-qe-7.6/PW/src/force_ew.f90\nq-e-qe-7.6/PW/src/force_hub.f90\nq-e-qe-7.6/PW/src/force_lc.f90\nq-e-qe-7.6/PW/src/force_us.f90\nq-e-qe-7.6/PW/src/forces.f90\nq-e-qe-7.6/PW/src/forces_bp_efield.f90\nq-e-qe-7.6/PW/src/g2_kin.f90\nq-e-qe-7.6/PW/src/g_psi.f90\nq-e-qe-7.6/PW/src/g_psi_mod.f90\nq-e-qe-7.6/PW/src/gcscf_input.f90\nq-e-qe-7.6/PW/src/gcscf_module.f90\nq-e-qe-7.6/PW/src/gen_at_dj.f90\nq-e-qe-7.6/PW/src/gen_at_dy.f90\nq-e-qe-7.6/PW/src/get_locals.f90\nq-e-qe-7.6/PW/src/gk_sort.f90\nq-e-qe-7.6/PW/src/gradcorr.f90\nq-e-qe-7.6/PW/src/gweights.f90\nq-e-qe-7.6/PW/src/h_epsi_her_apply.f90\nq-e-qe-7.6/PW/src/h_epsi_her_set.f90\nq-e-qe-7.6/PW/src/h_psi.f90\nq-e-qe-7.6/PW/src/h_psi_meta.f90\nq-e-qe-7.6/PW/src/hinit0.f90\nq-e-qe-7.6/PW/src/hinit1.f90\nq-e-qe-7.6/PW/src/hs_1psi.f90\nq-e-qe-7.6/PW/src/hs_psi.f90\nq-e-qe-7.6/PW/src/hubbard.f90\nq-e-qe-7.6/PW/src/init_ns.f90\nq-e-qe-7.6/PW/src/init_nsg.f90\nq-e-qe-7.6/PW/src/init_q_aeps.f90\nq-e-qe-7.6/PW/src/init_run.f90\nq-e-qe-7.6/PW/src/init_us_2.f90\nq-e-qe-7.6/PW/src/init_vloc.f90\nq-e-qe-7.6/PW/src/input.f90\nq-e-qe-7.6/PW/src/intersite_V.f90\nq-e-qe-7.6/PW/src/io_rho_xml.f90\nq-e-qe-7.6/PW/src/irreducible_BZ.f90\nq-e-qe-7.6/PW/src/iweights.f90\nq-e-qe-7.6/PW/src/kpoint_grid.f90\nq-e-qe-7.6/PW/src/lchk_tauxk.f90\nq-e-qe-7.6/PW/src/ldaU.f90\nq-e-qe-7.6/PW/src/loc_scdm.f90\nq-e-qe-7.6/PW/src/loc_scdm_k.f90\nq-e-qe-7.6/PW/src/make_pointlists.f90\nq-e-qe-7.6/PW/src/manypw.f90\nq-e-qe-7.6/PW/src/martyna_tuckerman.f90\nq-e-qe-7.6/PW/src/memory_report.f90\nq-e-qe-7.6/PW/src/mix_rho.f90\nq-e-qe-7.6/PW/src/move_ions.f90\nq-e-qe-7.6/PW/src/multable.f90\nq-e-qe-7.6/PW/src/n_plane_waves.f90\nq-e-qe-7.6/PW/src/new_ns.f90\nq-e-qe-7.6/PW/src/new_nsb.f90\nq-e-qe-7.6/PW/src/new_nsg.f90\nq-e-qe-7.6/PW/src/new_occ.f90\nq-e-qe-7.6/PW/src/newd_acc.f90\nq-e-qe-7.6/PW/src/non_scf.f90\nq-e-qe-7.6/PW/src/ns_adj.f90\nq-e-qe-7.6/PW/src/offset_atom_wfc.f90\nq-e-qe-7.6/PW/src/openfil.f90\nq-e-qe-7.6/PW/src/orbm_kubo.f90\nq-e-qe-7.6/PW/src/orthoUwfc.f90\nq-e-qe-7.6/PW/src/ortho_wfc.f90\nq-e-qe-7.6/PW/src/orthoatwfc.f90\nq-e-qe-7.6/PW/src/oscdft_base.f90\nq-e-qe-7.6/PW/src/oscdft_context.f90\nq-e-qe-7.6/PW/src/oscdft_enums.f90\nq-e-qe-7.6/PW/src/oscdft_extended.f90\nq-e-qe-7.6/PW/src/oscdft_forces.f90\nq-e-qe-7.6/PW/src/oscdft_forces_subs.f90\nq-e-qe-7.6/PW/src/oscdft_functions.f90\nq-e-qe-7.6/PW/src/oscdft_functions_gpu.f90\nq-e-qe-7.6/PW/src/oscdft_indices.f90\nq-e-qe-7.6/PW/src/oscdft_input.f90\nq-e-qe-7.6/PW/src/oscdft_occupations.f90\nq-e-qe-7.6/PW/src/oscdft_wavefunction.f90\nq-e-qe-7.6/PW/src/oscdft_wavefunction_subs.f90\nq-e-qe-7.6/PW/src/oscdft_wfcO.f90\nq-e-qe-7.6/PW/src/output_tau.f90\nq-e-qe-7.6/PW/src/para.f90\nq-e-qe-7.6/PW/src/paw_exx.f90\nq-e-qe-7.6/PW/src/paw_init.f90\nq-e-qe-7.6/PW/src/paw_onecenter.f90\nq-e-qe-7.6/PW/src/paw_symmetry.f90\nq-e-qe-7.6/PW/src/plugin_check.f90\nq-e-qe-7.6/PW/src/plugin_clean.f90\nq-e-qe-7.6/PW/src/plugin_clock.f90\nq-e-qe-7.6/PW/src/plugin_ext_forces.f90\nq-e-qe-7.6/PW/src/plugin_init_cell.f90\nq-e-qe-7.6/PW/src/plugin_init_ions.f90\nq-e-qe-7.6/PW/src/plugin_init_potential.f90\nq-e-qe-7.6/PW/src/plugin_initbase.f90\nq-e-qe-7.6/PW/src/plugin_initialization.f90\nq-e-qe-7.6/PW/src/plugin_int_forces.f90\nq-e-qe-7.6/PW/src/plugin_print_energies.f90\nq-e-qe-7.6/PW/src/plugin_read_input.f90\nq-e-qe-7.6/PW/src/plugin_scf_energy.f90\nq-e-qe-7.6/PW/src/plugin_scf_potential.f90\nq-e-qe-7.6/PW/src/plugin_summary.f90\nq-e-qe-7.6/PW/src/plus_u_full.f90\nq-e-qe-7.6/PW/src/potinit.f90\nq-e-qe-7.6/PW/src/print_clock_pw.f90\nq-e-qe-7.6/PW/src/print_ks_energies.f90\nq-e-qe-7.6/PW/src/printpot.f90\nq-e-qe-7.6/PW/src/punch.f90\nq-e-qe-7.6/PW/src/pw2blip.f90\nq-e-qe-7.6/PW/src/pw2casino.f90\nq-e-qe-7.6/PW/src/pw2casino_write.f90\nq-e-qe-7.6/PW/src/pw_init_qexsd_input.f90\nq-e-qe-7.6/PW/src/pw_restart_new.f90\nq-e-qe-7.6/PW/src/pwcom.f90\nq-e-qe-7.6/PW/src/pwscf.f90\nq-e-qe-7.6/PW/src/rdiagh.f90\nq-e-qe-7.6/PW/src/read_conf_from_file.f90\nq-e-qe-7.6/PW/src/read_file_new.f90\nq-e-qe-7.6/PW/src/realus.f90\nq-e-qe-7.6/PW/src/remove_atomic_rho.f90\nq-e-qe-7.6/PW/src/report_mag.f90\nq-e-qe-7.6/PW/src/restart_in_electrons.f90\nq-e-qe-7.6/PW/src/rho2zeta.f90\nq-e-qe-7.6/PW/src/rism_module.f90\nq-e-qe-7.6/PW/src/rotate_wfc.f90\nq-e-qe-7.6/PW/src/run_driver.f90\nq-e-qe-7.6/PW/src/run_pwscf.f90\nq-e-qe-7.6/PW/src/ruotaijk.f90\nq-e-qe-7.6/PW/src/s_1psi.f90\nq-e-qe-7.6/PW/src/s_psi.f90\nq-e-qe-7.6/PW/src/save_in_cbands.f90\nq-e-qe-7.6/PW/src/save_in_electrons.f90\nq-e-qe-7.6/PW/src/scale_h.f90\nq-e-qe-7.6/PW/src/scf_mod.f90\nq-e-qe-7.6/PW/src/scissor.f90\nq-e-qe-7.6/PW/src/set_kplusq.f90\nq-e-qe-7.6/PW/src/set_kup_and_kdw.f90\nq-e-qe-7.6/PW/src/set_occupations.f90\nq-e-qe-7.6/PW/src/set_rhoc.f90\nq-e-qe-7.6/PW/src/set_spin_vars.f90\nq-e-qe-7.6/PW/src/set_vrs.f90\nq-e-qe-7.6/PW/src/setlocal.f90\nq-e-qe-7.6/PW/src/setup.f90\nq-e-qe-7.6/PW/src/sic.f90\nq-e-qe-7.6/PW/src/start_k.f90\nq-e-qe-7.6/PW/src/starting_scf_mod.f90\nq-e-qe-7.6/PW/src/stop_run.f90\nq-e-qe-7.6/PW/src/stres_cc.f90\nq-e-qe-7.6/PW/src/stres_ewa.f90\nq-e-qe-7.6/PW/src/stres_gradcorr.f90\nq-e-qe-7.6/PW/src/stres_har.f90\nq-e-qe-7.6/PW/src/stres_hub.f90\nq-e-qe-7.6/PW/src/stres_knl.f90\nq-e-qe-7.6/PW/src/stres_loc.f90\nq-e-qe-7.6/PW/src/stres_mgga.f90\nq-e-qe-7.6/PW/src/stres_nonloc_dft.f90\nq-e-qe-7.6/PW/src/stres_us.f90\nq-e-qe-7.6/PW/src/stress.f90\nq-e-qe-7.6/PW/src/struct_fact.f90\nq-e-qe-7.6/PW/src/sum_band.f90\nq-e-qe-7.6/PW/src/sumkg.f90\nq-e-qe-7.6/PW/src/sumkt.f90\nq-e-qe-7.6/PW/src/summary.f90\nq-e-qe-7.6/PW/src/symm_base.f90\nq-e-qe-7.6/PW/src/symme.f90\nq-e-qe-7.6/PW/src/symmetrize_at.f90\nq-e-qe-7.6/PW/src/tetra.f90\nq-e-qe-7.6/PW/src/transform_becsum_nc.f90\nq-e-qe-7.6/PW/src/transform_becsum_so.f90\nq-e-qe-7.6/PW/src/trnvecc.f90\nq-e-qe-7.6/PW/src/two_chem.f90\nq-e-qe-7.6/PW/src/update_pot.f90\nq-e-qe-7.6/PW/src/us_exx.f90\nq-e-qe-7.6/PW/src/usnldiag.f90\nq-e-qe-7.6/PW/src/utils.f90\nq-e-qe-7.6/PW/src/utils_gpu.f90\nq-e-qe-7.6/PW/src/v_hubbard.f90\nq-e-qe-7.6/PW/src/v_of_rho.f90\nq-e-qe-7.6/PW/src/vcsmd.f90\nq-e-qe-7.6/PW/src/vcsubs.f90\nq-e-qe-7.6/PW/src/vhpsi.f90\nq-e-qe-7.6/PW/src/vhpsi_U.f90\nq-e-qe-7.6/PW/src/vloc_psi_acc.f90\nq-e-qe-7.6/PW/src/vloc_psi_tg.f90\nq-e-qe-7.6/PW/src/wannier_check.f90\nq-e-qe-7.6/PW/src/wannier_clean.f90\nq-e-qe-7.6/PW/src/wannier_init.f90\nq-e-qe-7.6/PW/src/wannier_occ.f90\nq-e-qe-7.6/PW/src/weights.f90\nq-e-qe-7.6/PW/src/wfcinit.f90\nq-e-qe-7.6/PW/src/write_ns.f90\nq-e-qe-7.6/PW/src/wsweight.f90\nq-e-qe-7.6/PW/src/xdm_dispersion.f90\nq-e-qe-7.6/PW/tools/\nq-e-qe-7.6/PW/tools/MINpuT.ipynb\nq-e-qe-7.6/PW/tools/MINpuT.py\nq-e-qe-7.6/PW/tools/Makefile\nq-e-qe-7.6/PW/tools/README\nq-e-qe-7.6/PW/tools/README_MINpuT.txt\nq-e-qe-7.6/PW/tools/castep2qe.sh\nq-e-qe-7.6/PW/tools/cell2ibrav.f90\nq-e-qe-7.6/PW/tools/cif2qe.sh\nq-e-qe-7.6/PW/tools/ev.f90\nq-e-qe-7.6/PW/tools/graphene.cif\nq-e-qe-7.6/PW/tools/graphene_hBN.in\nq-e-qe-7.6/PW/tools/hBN.cif\nq-e-qe-7.6/PW/tools/ibrav2cell.f90\nq-e-qe-7.6/PW/tools/kpoints.f90\nq-e-qe-7.6/PW/tools/md_analyzer.sh\nq-e-qe-7.6/PW/tools/pwi2xsf.f90\nq-e-qe-7.6/PW/tools/pwi2xsf.sh\nq-e-qe-7.6/PW/tools/pwo2xsf.sh\nq-e-qe-7.6/PW/tools/qeout2axsf.sh\nq-e-qe-7.6/PW/tools/rism1d.f90\nq-e-qe-7.6/PW/tools/scan_ibrav.f90\nq-e-qe-7.6/PW/tools/system.cif\nq-e-qe-7.6/PW/tools/xsf2pwi.sh\nq-e-qe-7.6/PWCOND/\nq-e-qe-7.6/PWCOND/CMakeLists.txt\nq-e-qe-7.6/PWCOND/Doc/\nq-e-qe-7.6/PWCOND/Doc/INPUT_PWCOND.def\nq-e-qe-7.6/PWCOND/Doc/Makefile\nq-e-qe-7.6/PWCOND/Makefile\nq-e-qe-7.6/PWCOND/examples/\nq-e-qe-7.6/PWCOND/examples/clean_all\nq-e-qe-7.6/PWCOND/examples/example01/\nq-e-qe-7.6/PWCOND/examples/example01/README\nq-e-qe-7.6/PWCOND/examples/example01/reference/\nq-e-qe-7.6/PWCOND/examples/example01/reference/AlwireAl.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/AlwireH.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/AlwireH.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/al.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/al.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/alwire.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/alwire.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/alwire1.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.al.co\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.al.im\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.al.re\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.alwire.co\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.alwire.im\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.alwire.re\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.ni_down.co\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.ni_down.im\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.ni_down.re\nq-e-qe-7.6/PWCOND/examples/example01/reference/ni.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/ni.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/trans.alwire\nq-e-qe-7.6/PWCOND/examples/example01/reference/trans.alwireh\nq-e-qe-7.6/PWCOND/examples/example01/run_example\nq-e-qe-7.6/PWCOND/examples/example02/\nq-e-qe-7.6/PWCOND/examples/example02/README\nq-e-qe-7.6/PWCOND/examples/example02/reference/\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt.cond.out\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt.cond_t.out\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt.tet.out\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt4.out\nq-e-qe-7.6/PWCOND/examples/example02/run_example\nq-e-qe-7.6/PWCOND/examples/example03/\nq-e-qe-7.6/PWCOND/examples/example03/README\nq-e-qe-7.6/PWCOND/examples/example03/reference/\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire1.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire1U.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/AuwireU.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/AuwireU.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwire.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwire.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwireU.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwireU.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.co_im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.co_re\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.re\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.co_im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.co_re\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.re\nq-e-qe-7.6/PWCOND/examples/example03/reference/plot_results.gnu\nq-e-qe-7.6/PWCOND/examples/example03/reference/trans.AuwireCO\nq-e-qe-7.6/PWCOND/examples/example03/reference/transU.AuwireCO\nq-e-qe-7.6/PWCOND/examples/example03/run_example\nq-e-qe-7.6/PWCOND/examples/run_all_examples\nq-e-qe-7.6/PWCOND/src/\nq-e-qe-7.6/PWCOND/src/Makefile\nq-e-qe-7.6/PWCOND/src/allocate_cond.f90\nq-e-qe-7.6/PWCOND/src/bessj.f90\nq-e-qe-7.6/PWCOND/src/compbs.f90\nq-e-qe-7.6/PWCOND/src/compbs_2.f90\nq-e-qe-7.6/PWCOND/src/cond_out.f90\nq-e-qe-7.6/PWCOND/src/cond_restart.f90\nq-e-qe-7.6/PWCOND/src/condcom.f90\nq-e-qe-7.6/PWCOND/src/condmain.f90\nq-e-qe-7.6/PWCOND/src/do_cond.f90\nq-e-qe-7.6/PWCOND/src/eigenchnl.f90\nq-e-qe-7.6/PWCOND/src/form_zk.f90\nq-e-qe-7.6/PWCOND/src/four.f90\nq-e-qe-7.6/PWCOND/src/free_mem.f90\nq-e-qe-7.6/PWCOND/src/gep_x.f90\nq-e-qe-7.6/PWCOND/src/gramsh.f90\nq-e-qe-7.6/PWCOND/src/hev_ab.f90\nq-e-qe-7.6/PWCOND/src/init_cond.f90\nq-e-qe-7.6/PWCOND/src/init_gper.f90\nq-e-qe-7.6/PWCOND/src/init_orbitals.f90\nq-e-qe-7.6/PWCOND/src/integrals.f90\nq-e-qe-7.6/PWCOND/src/jbloch.f90\nq-e-qe-7.6/PWCOND/src/kbloch.f90\nq-e-qe-7.6/PWCOND/src/local.f90\nq-e-qe-7.6/PWCOND/src/local_set.f90\nq-e-qe-7.6/PWCOND/src/openfil_cond.f90\nq-e-qe-7.6/PWCOND/src/plus_u_setup.f90\nq-e-qe-7.6/PWCOND/src/poten.f90\nq-e-qe-7.6/PWCOND/src/print_clock_pwcond.f90\nq-e-qe-7.6/PWCOND/src/realus_scatt.f90\nq-e-qe-7.6/PWCOND/src/rotproc.f90\nq-e-qe-7.6/PWCOND/src/save_cond.f90\nq-e-qe-7.6/PWCOND/src/scat_states_plot.f90\nq-e-qe-7.6/PWCOND/src/scatter_forw.f90\nq-e-qe-7.6/PWCOND/src/summary_band.f90\nq-e-qe-7.6/PWCOND/src/summary_tran.f90\nq-e-qe-7.6/PWCOND/src/sunitary.f90\nq-e-qe-7.6/PWCOND/src/transmit.f90\nq-e-qe-7.6/QEHeat/\nq-e-qe-7.6/QEHeat/CMakeLists.txt\nq-e-qe-7.6/QEHeat/Doc/\nq-e-qe-7.6/QEHeat/Doc/INPUT_ALL_CURRENTS.def\nq-e-qe-7.6/QEHeat/Doc/Makefile\nq-e-qe-7.6/QEHeat/Doc/input_xx.xsl\nq-e-qe-7.6/QEHeat/Makefile\nq-e-qe-7.6/QEHeat/README\nq-e-qe-7.6/QEHeat/examples/\nq-e-qe-7.6/QEHeat/examples/README.md\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/input\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/current_hz\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/current_hz.dat\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/output\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/run_example.sh\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/traj.pos\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/traj.vel\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/input_energycurrent\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/current_hz\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/current_hz.dat\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/output_energycurrent\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/run_example.sh\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/input_all_currents\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/input_cp\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/current_hz\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/current_hz.dat\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/out_all_currents\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/out_cp\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.0_0\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.cel\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.con\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.eig\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.evp\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.for\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.hrs\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.ncg\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.nos\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.pol\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.pos\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.spr\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.str\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.the\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.vel\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.wfc\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/run_example_water\nq-e-qe-7.6/QEHeat/examples/pseudo/\nq-e-qe-7.6/QEHeat/examples/pseudo/Ar_ONCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/H_HSCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/O_HSCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/O_ONCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/Si_ONCV_PBE-1.1.upf\nq-e-qe-7.6/QEHeat/src/\nq-e-qe-7.6/QEHeat/src/Makefile\nq-e-qe-7.6/QEHeat/src/all_currents.f90\nq-e-qe-7.6/QEHeat/src/averages.f90\nq-e-qe-7.6/QEHeat/src/compute_charge.f90\nq-e-qe-7.6/QEHeat/src/cpv_traj.f90\nq-e-qe-7.6/QEHeat/src/cpv_traj_test.f90\nq-e-qe-7.6/QEHeat/src/ec_functionals.f90\nq-e-qe-7.6/QEHeat/src/hartree_xc_mod.f90\nq-e-qe-7.6/QEHeat/src/init_us_3.f90\nq-e-qe-7.6/QEHeat/src/ionic_mod.f90\nq-e-qe-7.6/QEHeat/src/kohn_sham_mod.f90\nq-e-qe-7.6/QEHeat/src/project.f90\nq-e-qe-7.6/QEHeat/src/scf_result.f90\nq-e-qe-7.6/QEHeat/src/test_h_psi_s_psi_commutator_Hx_psi.f90\nq-e-qe-7.6/QEHeat/src/traj_object.f90\nq-e-qe-7.6/QEHeat/src/zero_mod.f90\nq-e-qe-7.6/README.md\nq-e-qe-7.6/README_GPU.md\nq-e-qe-7.6/TDDFPT/\nq-e-qe-7.6/TDDFPT/.dependencies\nq-e-qe-7.6/TDDFPT/CMakeLists.txt\nq-e-qe-7.6/TDDFPT/ColorCalculator/\nq-e-qe-7.6/TDDFPT/ColorCalculator/CIEx\nq-e-qe-7.6/TDDFPT/ColorCalculator/CIEy\nq-e-qe-7.6/TDDFPT/ColorCalculator/CIEz\nq-e-qe-7.6/TDDFPT/ColorCalculator/ColorCalculator5.jar\nq-e-qe-7.6/TDDFPT/ColorCalculator/D65.light\nq-e-qe-7.6/TDDFPT/ColorCalculator/Install\nq-e-qe-7.6/TDDFPT/ColorCalculator/Makefile\nq-e-qe-7.6/TDDFPT/ColorCalculator/README\nq-e-qe-7.6/TDDFPT/ColorCalculator/colorBlue.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/pelargonin_inter_sort.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/pelargonin_no_inter.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/pelargonin_no_inter_no_sort.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/ColorCalculator.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/ColorWindow.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/GUITools.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/Graph.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/GraphFactory.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/Manifest.txt\nq-e-qe-7.6/TDDFPT/Doc/\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Davidson.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_EELS.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Lanczos.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Magnon.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Spectrum.def\nq-e-qe-7.6/TDDFPT/Doc/Makefile\nq-e-qe-7.6/TDDFPT/Makefile\nq-e-qe-7.6/TDDFPT/README\nq-e-qe-7.6/TDDFPT/examples/\nq-e-qe-7.6/TDDFPT/examples/README\nq-e-qe-7.6/TDDFPT/examples/clean_all\nq-e-qe-7.6/TDDFPT/examples/example01/\nq-e-qe-7.6/TDDFPT/examples/example01/reference/\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example01/run_example\nq-e-qe-7.6/TDDFPT/examples/example02/\nq-e-qe-7.6/TDDFPT/examples/example02/reference/\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.scf.in\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.scf.out\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example02/reference/C6H6.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example02/run_example\nq-e-qe-7.6/TDDFPT/examples/example03/\nq-e-qe-7.6/TDDFPT/examples/example03/reference/\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.scf.in\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.scf.out\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example03/reference/C6H6.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example03/run_example\nq-e-qe-7.6/TDDFPT/examples/example04/\nq-e-qe-7.6/TDDFPT/examples/example04/reference/\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example04/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example04/run_example\nq-e-qe-7.6/TDDFPT/examples/example05/\nq-e-qe-7.6/TDDFPT/examples/example05/reference/\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example05/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example05/run_example\nq-e-qe-7.6/TDDFPT/examples/example06/\nq-e-qe-7.6/TDDFPT/examples/example06/reference/\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt2.in\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt2.out\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example06/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example06/reference/README\nq-e-qe-7.6/TDDFPT/examples/example06/run_example\nq-e-qe-7.6/TDDFPT/examples/example07/\nq-e-qe-7.6/TDDFPT/examples/example07/reference/\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example07/reference/CH4.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example07/reference/environ.in\nq-e-qe-7.6/TDDFPT/examples/example07/run_example\nq-e-qe-7.6/TDDFPT/examples/example08/\nq-e-qe-7.6/TDDFPT/examples/example08/reference/\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.eigen\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example08/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example08/run_example\nq-e-qe-7.6/TDDFPT/examples/example09/\nq-e-qe-7.6/TDDFPT/examples/example09/reference/\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.eigen\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.scf.in\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.scf.out\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example09/reference/C6H6.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example09/run_example\nq-e-qe-7.6/TDDFPT/examples/example10/\nq-e-qe-7.6/TDDFPT/examples/example10/reference/\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.eigen\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example10/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example10/run_example\nq-e-qe-7.6/TDDFPT/examples/example11/\nq-e-qe-7.6/TDDFPT/examples/example11/reference/\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.eigen\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.scf.in\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.scf.out\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example11/reference/CH4.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example11/reference/environ.in\nq-e-qe-7.6/TDDFPT/examples/example11/run_example\nq-e-qe-7.6/TDDFPT/examples/example12/\nq-e-qe-7.6/TDDFPT/examples/example12/reference/\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.eigen\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.plot.dat\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.pp.in\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.pp.out\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.scf.in\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.scf.out\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example12/reference/H2O.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example12/reference/drho-of-eign-1.cube\nq-e-qe-7.6/TDDFPT/examples/example12/run_example\nq-e-qe-7.6/TDDFPT/examples/example13/\nq-e-qe-7.6/TDDFPT/examples/example13/reference/\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.scf.in\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.scf.out\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example13/reference/Si.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example13/run_example\nq-e-qe-7.6/TDDFPT/examples/example14/\nq-e-qe-7.6/TDDFPT/examples/example14/reference/\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.scf.in\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.scf.out\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example14/reference/Al.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example14/run_example\nq-e-qe-7.6/TDDFPT/examples/example15/\nq-e-qe-7.6/TDDFPT/examples/example15/reference/\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.scf.in\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.scf.out\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example15/reference/Ag.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example15/run_example\nq-e-qe-7.6/TDDFPT/examples/example16/\nq-e-qe-7.6/TDDFPT/examples/example16/reference/\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.scf.in\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.scf.out\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example16/reference/Bi.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example16/run_example\nq-e-qe-7.6/TDDFPT/examples/example17/\nq-e-qe-7.6/TDDFPT/examples/example17/reference/\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.scf.in\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.scf.out\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example17/reference/Bi.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example17/run_example\nq-e-qe-7.6/TDDFPT/examples/example18/\nq-e-qe-7.6/TDDFPT/examples/example18/reference/\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.plot_eps.dat\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.scf.in\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.scf.out\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example18/reference/Al.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example18/run_example\nq-e-qe-7.6/TDDFPT/examples/example19/\nq-e-qe-7.6/TDDFPT/examples/example19/reference/\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.plot_chi.dat\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.scf.in\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.scf.out\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.tddfpt.in\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.tddfpt.out\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.tddfpt_pp.in\nq-e-qe-7.6/TDDFPT/examples/example19/reference/Fe.tddfpt_pp.out\nq-e-qe-7.6/TDDFPT/examples/example19/run_example\nq-e-qe-7.6/TDDFPT/examples/run_all_examples\nq-e-qe-7.6/TDDFPT/src/\nq-e-qe-7.6/TDDFPT/src/Makefile\nq-e-qe-7.6/TDDFPT/src/bcast_lr_input.f90\nq-e-qe-7.6/TDDFPT/src/dveqpsi_us.f90\nq-e-qe-7.6/TDDFPT/src/dveqpsi_us_only.f90\nq-e-qe-7.6/TDDFPT/src/environ_td_module.f90\nq-e-qe-7.6/TDDFPT/src/linear_solvers.f90\nq-e-qe-7.6/TDDFPT/src/lr_Opsi_magnons.f90\nq-e-qe-7.6/TDDFPT/src/lr_addus_dvpsi.f90\nq-e-qe-7.6/TDDFPT/src/lr_alloc_init.f90\nq-e-qe-7.6/TDDFPT/src/lr_apply_liouvillian.f90\nq-e-qe-7.6/TDDFPT/src/lr_apply_liouvillian_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_apply_liouvillian_magnons.f90\nq-e-qe-7.6/TDDFPT/src/lr_calc_dens.f90\nq-e-qe-7.6/TDDFPT/src/lr_calc_dens_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_calc_dens_eels_nc.f90\nq-e-qe-7.6/TDDFPT/src/lr_calc_dens_magnons.f90\nq-e-qe-7.6/TDDFPT/src/lr_charg_resp.f90\nq-e-qe-7.6/TDDFPT/src/lr_compute_intq.f90\nq-e-qe-7.6/TDDFPT/src/lr_dav_main.f90\nq-e-qe-7.6/TDDFPT/src/lr_dav_routines.f90\nq-e-qe-7.6/TDDFPT/src/lr_dav_variables.f90\nq-e-qe-7.6/TDDFPT/src/lr_dealloc.f90\nq-e-qe-7.6/TDDFPT/src/lr_dv_setup.f90\nq-e-qe-7.6/TDDFPT/src/lr_dvpsi_e.f90\nq-e-qe-7.6/TDDFPT/src/lr_dvpsi_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_dvpsi_magnons.f90\nq-e-qe-7.6/TDDFPT/src/lr_eels_main.f90\nq-e-qe-7.6/TDDFPT/src/lr_exx_kernel.f90\nq-e-qe-7.6/TDDFPT/src/lr_init_nfo.f90\nq-e-qe-7.6/TDDFPT/src/lr_lanczos.f90\nq-e-qe-7.6/TDDFPT/src/lr_magnons_main.f90\nq-e-qe-7.6/TDDFPT/src/lr_magnons_routines.f90\nq-e-qe-7.6/TDDFPT/src/lr_main.f90\nq-e-qe-7.6/TDDFPT/src/lr_mix_pot.f90\nq-e-qe-7.6/TDDFPT/src/lr_normalise.f90\nq-e-qe-7.6/TDDFPT/src/lr_ortho.f90\nq-e-qe-7.6/TDDFPT/src/lr_psym_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_read_d0psi.f90\nq-e-qe-7.6/TDDFPT/src/lr_read_wf.f90\nq-e-qe-7.6/TDDFPT/src/lr_readin.f90\nq-e-qe-7.6/TDDFPT/src/lr_restart.f90\nq-e-qe-7.6/TDDFPT/src/lr_run_nscf.f90\nq-e-qe-7.6/TDDFPT/src/lr_set_boxes_density.f90\nq-e-qe-7.6/TDDFPT/src/lr_set_intq_nc.f90\nq-e-qe-7.6/TDDFPT/src/lr_setup_nscf.f90\nq-e-qe-7.6/TDDFPT/src/lr_smallgq.f90\nq-e-qe-7.6/TDDFPT/src/lr_solve_e.f90\nq-e-qe-7.6/TDDFPT/src/lr_sternheimer.f90\nq-e-qe-7.6/TDDFPT/src/lr_summary.f90\nq-e-qe-7.6/TDDFPT/src/lr_sym_eels.f90\nq-e-qe-7.6/TDDFPT/src/lr_test_restart.f90\nq-e-qe-7.6/TDDFPT/src/lr_transform_intq_nc.f90\nq-e-qe-7.6/TDDFPT/src/lr_transform_intq_so.f90\nq-e-qe-7.6/TDDFPT/src/lr_us.f90\nq-e-qe-7.6/TDDFPT/src/lr_variables.f90\nq-e-qe-7.6/TDDFPT/src/lr_write_restart.f90\nq-e-qe-7.6/TDDFPT/src/paw_add_symmetry.f90\nq-e-qe-7.6/TDDFPT/src/plugin_tddfpt_potential.f90\nq-e-qe-7.6/TDDFPT/src/print_clock_lr.f90\nq-e-qe-7.6/TDDFPT/src/sd0psi.f90\nq-e-qe-7.6/TDDFPT/src/stop_lr.f90\nq-e-qe-7.6/TDDFPT/src/turbo_spectrum.f90\nq-e-qe-7.6/UtilXlib/\nq-e-qe-7.6/UtilXlib/CMakeLists.txt\nq-e-qe-7.6/UtilXlib/Makefile\nq-e-qe-7.6/UtilXlib/Makefile.test\nq-e-qe-7.6/UtilXlib/README.md\nq-e-qe-7.6/UtilXlib/c_mkdir.c\nq-e-qe-7.6/UtilXlib/clib_wrappers.f90\nq-e-qe-7.6/UtilXlib/clocks_handler.f90\nq-e-qe-7.6/UtilXlib/copy.c\nq-e-qe-7.6/UtilXlib/cptimer.c\nq-e-qe-7.6/UtilXlib/data_buffer.f90\nq-e-qe-7.6/UtilXlib/device_helper.f90\nq-e-qe-7.6/UtilXlib/divide.f90\nq-e-qe-7.6/UtilXlib/error_handler.f90\nq-e-qe-7.6/UtilXlib/eval_infix.c\nq-e-qe-7.6/UtilXlib/export_gstart_2_solvers.f90\nq-e-qe-7.6/UtilXlib/find_free_unit.f90\nq-e-qe-7.6/UtilXlib/fletcher32.c\nq-e-qe-7.6/UtilXlib/fletcher32_mod.f90\nq-e-qe-7.6/UtilXlib/hash.f90\nq-e-qe-7.6/UtilXlib/md5.c\nq-e-qe-7.6/UtilXlib/md5.h\nq-e-qe-7.6/UtilXlib/md5_from_file.c\nq-e-qe-7.6/UtilXlib/mem_counter.f90\nq-e-qe-7.6/UtilXlib/memstat.c\nq-e-qe-7.6/UtilXlib/memusage.c\nq-e-qe-7.6/UtilXlib/mp.f90\nq-e-qe-7.6/UtilXlib/mp_bands_util.f90\nq-e-qe-7.6/UtilXlib/mp_base.f90\nq-e-qe-7.6/UtilXlib/mp_base_gpu.f90\nq-e-qe-7.6/UtilXlib/nvtx_wrapper.f90\nq-e-qe-7.6/UtilXlib/parallel_include.f90\nq-e-qe-7.6/UtilXlib/print_mem.f90\nq-e-qe-7.6/UtilXlib/ptrace.c\nq-e-qe-7.6/UtilXlib/set_mpi_comm_4_solvers.f90\nq-e-qe-7.6/UtilXlib/tests/\nq-e-qe-7.6/UtilXlib/tests/Makefile\nq-e-qe-7.6/UtilXlib/tests/README.md\nq-e-qe-7.6/UtilXlib/tests/compile_and_run_tests.sh\nq-e-qe-7.6/UtilXlib/tests/gen_tests.py\nq-e-qe-7.6/UtilXlib/tests/mp_world.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_allgatherv_type_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_alltoall.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_alltoall_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_c4d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_c5d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_c6d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_i1.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_i1_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_i4d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_im.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_im_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_it.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_it_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_iv.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_iv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_iv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_iv_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_lv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_lv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_r4d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_r5d_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_rv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_bcast_rv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_circular_shift_left_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_count_nodes.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_gather_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_gatherv_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_gatherv_type_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_get_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_iv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_iv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_rv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_max_rv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_iv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_iv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_rv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_min_rv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_put_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_root_sum_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_gpu.tmpl\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_iv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_iv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_rv_buffer.f90\nq-e-qe-7.6/UtilXlib/tests/test_mp_sum_rv_buffer_gpu.f90\nq-e-qe-7.6/UtilXlib/tests/test_offload_macros.f90\nq-e-qe-7.6/UtilXlib/tests/tester.f90\nq-e-qe-7.6/UtilXlib/tests/utils.f90\nq-e-qe-7.6/UtilXlib/thread_util.f90\nq-e-qe-7.6/UtilXlib/util_param.f90\nq-e-qe-7.6/XClib/\nq-e-qe-7.6/XClib/CMakeLists.txt\nq-e-qe-7.6/XClib/Ford/\nq-e-qe-7.6/XClib/Ford/Ford.md\nq-e-qe-7.6/XClib/Ford/pagedir/\nq-e-qe-7.6/XClib/Ford/pagedir/index.md\nq-e-qe-7.6/XClib/Makefile\nq-e-qe-7.6/XClib/README.BEEF\nq-e-qe-7.6/XClib/README.TEST\nq-e-qe-7.6/XClib/beefleg.h\nq-e-qe-7.6/XClib/beefun.c\nq-e-qe-7.6/XClib/dft_setting_params.f90\nq-e-qe-7.6/XClib/dft_setting_routines.f90\nq-e-qe-7.6/XClib/pbecor.c\nq-e-qe-7.6/XClib/pbecor.h\nq-e-qe-7.6/XClib/qe_constants.f90\nq-e-qe-7.6/XClib/qe_dft_list.f90\nq-e-qe-7.6/XClib/qe_dft_refs.f90\nq-e-qe-7.6/XClib/qe_drivers_d_gga.f90\nq-e-qe-7.6/XClib/qe_drivers_d_lda_lsda.f90\nq-e-qe-7.6/XClib/qe_drivers_gga.f90\nq-e-qe-7.6/XClib/qe_drivers_lda_lsda.f90\nq-e-qe-7.6/XClib/qe_drivers_mgga.f90\nq-e-qe-7.6/XClib/qe_funct_corr_gga.f90\nq-e-qe-7.6/XClib/qe_funct_corr_lda_lsda.f90\nq-e-qe-7.6/XClib/qe_funct_exch_gga.f90\nq-e-qe-7.6/XClib/qe_funct_exch_lda_lsda.f90\nq-e-qe-7.6/XClib/qe_funct_mgga.f90\nq-e-qe-7.6/XClib/qe_kind.f90\nq-e-qe-7.6/XClib/test_input_files/\nq-e-qe-7.6/XClib/test_input_files/all_shorts.xml\nq-e-qe-7.6/XClib/test_input_files/all_terms.xml\nq-e-qe-7.6/XClib/test_input_files/exe_test.in\nq-e-qe-7.6/XClib/test_input_files/gen_test.in\nq-e-qe-7.6/XClib/test_input_files/test_all_shorts.in\nq-e-qe-7.6/XClib/test_input_files/test_all_terms.in\nq-e-qe-7.6/XClib/xc_beef_interface.f90\nq-e-qe-7.6/XClib/xc_infos.f90\nq-e-qe-7.6/XClib/xc_lib.f90\nq-e-qe-7.6/XClib/xc_wrapper_d_gga.f90\nq-e-qe-7.6/XClib/xc_wrapper_d_lda_lsda.f90\nq-e-qe-7.6/XClib/xc_wrapper_gga.f90\nq-e-qe-7.6/XClib/xc_wrapper_lda_lsda.f90\nq-e-qe-7.6/XClib/xc_wrapper_mgga.f90\nq-e-qe-7.6/XClib/xclib_error.f90\nq-e-qe-7.6/XClib/xclib_test.f90\nq-e-qe-7.6/XClib/xclib_utils_and_para.f90\nq-e-qe-7.6/XSpectra/\nq-e-qe-7.6/XSpectra/CMakeLists.txt\nq-e-qe-7.6/XSpectra/Doc/\nq-e-qe-7.6/XSpectra/Doc/INPUT_MOLECULARNEXAFS\nq-e-qe-7.6/XSpectra/Doc/INPUT_SPECTRA_CORRECTION\nq-e-qe-7.6/XSpectra/Doc/INPUT_SPECTRA_MANIPULATION\nq-e-qe-7.6/XSpectra/Doc/INPUT_XSPECTRA\nq-e-qe-7.6/XSpectra/Makefile\nq-e-qe-7.6/XSpectra/README\nq-e-qe-7.6/XSpectra/examples/\nq-e-qe-7.6/XSpectra/examples/pseudo/\nq-e-qe-7.6/XSpectra/examples/pseudo/C_PBE_TM_2pj.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Ch_PBE_TM_2pj.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Cu_US_PBE_3pj_lowE.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Cu_halfh_US_PBE_3pj.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Ni_PBE_TM_2pj.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/O_PBE_TM.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/O_PBE_USPP.UPF\nq-e-qe-7.6/XSpectra/examples/pseudo/Si_PBE_USPP.UPF\nq-e-qe-7.6/XSpectra/examples/reference/\nq-e-qe-7.6/XSpectra/examples/reference/C.wfc\nq-e-qe-7.6/XSpectra/examples/reference/Cu.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/Cu.wfc\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh_xspectra.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh_xspectra.out\nq-e-qe-7.6/XSpectra/examples/reference/Cu_halfh_xspectra_xonlyplot.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xanes_L2.dat\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xanes_L2.sav\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xanes_L2_lplus.dat\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xanes_L2_lplus.sav\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xspectra.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xspectra.out\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xspectra_lplus.in\nq-e-qe-7.6/XSpectra/examples/reference/Cu_xspectra_lplus.out\nq-e-qe-7.6/XSpectra/examples/reference/Cuhalfh_xanes_L2.dat\nq-e-qe-7.6/XSpectra/examples/reference/Cuhalfh_xanes_L2.sav\nq-e-qe-7.6/XSpectra/examples/reference/Cuhalfh_xanes_L2_xonlyplot.dat\nq-e-qe-7.6/XSpectra/examples/reference/Ni.wfc\nq-e-qe-7.6/XSpectra/examples/reference/NiO.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/NiO.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip.dat\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip.in\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip.out\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip.sav\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip_replot.dat\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip_replot.in\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_dip_replot.out\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_qua.dat\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_qua.in\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_qua.out\nq-e-qe-7.6/XSpectra/examples/reference/NiO.xspectra_qua.sav\nq-e-qe-7.6/XSpectra/examples/reference/Si.wfc\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_c.dat\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_c.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_c.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_c.sav\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_plane.dat\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_plane.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_plane.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_plane.sav\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_1.sav\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.dat\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.in\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.out\nq-e-qe-7.6/XSpectra/examples/reference/SiO2.xspectra_dip_restart_2.sav\nq-e-qe-7.6/XSpectra/examples/reference/diamond.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/diamond.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra.dat\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra.in\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra.out\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra.sav\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_fermi.in\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_fermi.out\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_replot.dat\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_replot.in\nq-e-qe-7.6/XSpectra/examples/reference/diamond.xspectra_replot.out\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.scf.in\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.scf.out\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra.dat\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra.in\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra.out\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra.sav\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra_fermi.in\nq-e-qe-7.6/XSpectra/examples/reference/diamondh.xspectra_fermi.out\nq-e-qe-7.6/XSpectra/examples/run_example_Cu_L23\nq-e-qe-7.6/XSpectra/examples/run_example_NiO\nq-e-qe-7.6/XSpectra/examples/run_example_SiO2_USPP\nq-e-qe-7.6/XSpectra/examples/run_example_diamond\nq-e-qe-7.6/XSpectra/src/\nq-e-qe-7.6/XSpectra/src/Makefile\nq-e-qe-7.6/XSpectra/src/assign_paw_radii_to_species.f90\nq-e-qe-7.6/XSpectra/src/banner_xspectra.f90\nq-e-qe-7.6/XSpectra/src/check_orthogonality_k_epsilon.f90\nq-e-qe-7.6/XSpectra/src/gaunt_mod.f90\nq-e-qe-7.6/XSpectra/src/init_gipaw_1.f90\nq-e-qe-7.6/XSpectra/src/init_gipaw_2.f90\nq-e-qe-7.6/XSpectra/src/io_routines.f90\nq-e-qe-7.6/XSpectra/src/ipoolscatter.f90\nq-e-qe-7.6/XSpectra/src/lanczos.f90\nq-e-qe-7.6/XSpectra/src/lr_sm1_psi.f90\nq-e-qe-7.6/XSpectra/src/molecularnexafs.f90\nq-e-qe-7.6/XSpectra/src/mygetK.f90\nq-e-qe-7.6/XSpectra/src/paw_gipaw.f90\nq-e-qe-7.6/XSpectra/src/plot_xanes_cross_sections.f90\nq-e-qe-7.6/XSpectra/src/radin_mod.f90\nq-e-qe-7.6/XSpectra/src/read_input_and_bcast.f90\nq-e-qe-7.6/XSpectra/src/read_k_points.f90\nq-e-qe-7.6/XSpectra/src/reset_k_points_and_reinit.f90\nq-e-qe-7.6/XSpectra/src/select_nl_init.f90\nq-e-qe-7.6/XSpectra/src/set_xspectra_namelists_defaults.f90\nq-e-qe-7.6/XSpectra/src/spectra_correction.f90\nq-e-qe-7.6/XSpectra/src/stdout_routines.f90\nq-e-qe-7.6/XSpectra/src/xanes_dipole.f90\nq-e-qe-7.6/XSpectra/src/xanes_dipole_general_edge.f90\nq-e-qe-7.6/XSpectra/src/xanes_quadrupole.f90\nq-e-qe-7.6/XSpectra/src/xspectra.f90\nq-e-qe-7.6/XSpectra/src/xspectra_mod.f90\nq-e-qe-7.6/XSpectra/src/xspectra_utils.f90\nq-e-qe-7.6/XSpectra/tools/\nq-e-qe-7.6/XSpectra/tools/upf2plotcore.sh\nq-e-qe-7.6/archive/\nq-e-qe-7.6/archive/.gitignore\nq-e-qe-7.6/archive/README.md\nq-e-qe-7.6/atomic/\nq-e-qe-7.6/atomic/CMakeLists.txt\nq-e-qe-7.6/atomic/Doc/\nq-e-qe-7.6/atomic/Doc/ChangeLog\nq-e-qe-7.6/atomic/Doc/INPUT_LD1.def\nq-e-qe-7.6/atomic/Doc/Makefile\nq-e-qe-7.6/atomic/Doc/pseudo-gen-fig1.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen-fig2.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen-fig3.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen-fig4.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen.pdf\nq-e-qe-7.6/atomic/Doc/pseudo-gen.tex\nq-e-qe-7.6/atomic/KLI.md\nq-e-qe-7.6/atomic/Makefile\nq-e-qe-7.6/atomic/README\nq-e-qe-7.6/atomic/examples/\nq-e-qe-7.6/atomic/examples/all-electron/\nq-e-qe-7.6/atomic/examples/all-electron/AAREADME\nq-e-qe-7.6/atomic/examples/all-electron/ar.in\nq-e-qe-7.6/atomic/examples/all-electron/c_oep.in\nq-e-qe-7.6/atomic/examples/all-electron/clean.sh\nq-e-qe-7.6/atomic/examples/all-electron/cu.in\nq-e-qe-7.6/atomic/examples/all-electron/cu1.in\nq-e-qe-7.6/atomic/examples/all-electron/f.in\nq-e-qe-7.6/atomic/examples/all-electron/fe.in\nq-e-qe-7.6/atomic/examples/all-electron/h.in\nq-e-qe-7.6/atomic/examples/all-electron/h.oep.in\nq-e-qe-7.6/atomic/examples/all-electron/he.in\nq-e-qe-7.6/atomic/examples/all-electron/he.oep.in\nq-e-qe-7.6/atomic/examples/all-electron/mg.in\nq-e-qe-7.6/atomic/examples/all-electron/ne.kli.in\nq-e-qe-7.6/atomic/examples/all-electron/ne_oep.in\nq-e-qe-7.6/atomic/examples/all-electron/pt.in\nq-e-qe-7.6/atomic/examples/all-electron/reference/\nq-e-qe-7.6/atomic/examples/all-electron/reference/ar.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/c_oep.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/cu.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/cu1.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/f.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/fe.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/h.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/he.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/mg.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/ne_oep.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/pt.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/u.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/u1.out\nq-e-qe-7.6/atomic/examples/all-electron/reference/w.out\nq-e-qe-7.6/atomic/examples/all-electron/test.job\nq-e-qe-7.6/atomic/examples/all-electron/u.in\nq-e-qe-7.6/atomic/examples/all-electron/u1.in\nq-e-qe-7.6/atomic/examples/all-electron/w.in\nq-e-qe-7.6/atomic/examples/make_clean\nq-e-qe-7.6/atomic/examples/paw_examples/\nq-e-qe-7.6/atomic/examples/paw_examples/README\nq-e-qe-7.6/atomic/examples/paw_examples/clean\nq-e-qe-7.6/atomic/examples/paw_examples/input/\nq-e-qe-7.6/atomic/examples/paw_examples/input/Be.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/C.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Cl.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Cu.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/F.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Fe.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Ge.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/H.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Li-1s.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Li.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/N.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Na-2s2p.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/O-lda.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/O.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/P.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Pd.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/S.in\nq-e-qe-7.6/atomic/examples/paw_examples/input/Si.in\nq-e-qe-7.6/atomic/examples/paw_examples/oxygen/\nq-e-qe-7.6/atomic/examples/paw_examples/oxygen/gen.in\nq-e-qe-7.6/atomic/examples/paw_examples/oxygen/spin.in\nq-e-qe-7.6/atomic/examples/paw_examples/oxygen/test.in\nq-e-qe-7.6/atomic/examples/paw_examples/plot_dlog\nq-e-qe-7.6/atomic/examples/paw_examples/reference/\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Be-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Be.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/C-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/C.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Cl-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Cl.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Cu-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Cu.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/F-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/F.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Fe-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Fe.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Ge-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Ge.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/H-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/H.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Li-1s-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Li-1s.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Li-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Li.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/N-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/N.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Na-2s2p-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Na-2s2p.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/O-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/O-lda-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/O-lda.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/O.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/P-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/P.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Pd-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Pd.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/S-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/S.out\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Si-dlog.ps\nq-e-qe-7.6/atomic/examples/paw_examples/reference/Si.out\nq-e-qe-7.6/atomic/examples/paw_examples/test\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/AAREADME\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/Si.pz-vbc.UPF\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/clean.sh\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/reference/\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/reference/Si.LDA.0.5.UPF\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/reference/si.lda.0.5.out\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/si.lda.0.5.in\nq-e-qe-7.6/atomic/examples/pseudo-LDA-0.5/test.job\nq-e-qe-7.6/atomic/examples/pseudo-gen/\nq-e-qe-7.6/atomic/examples/pseudo-gen/AAREADME\nq-e-qe-7.6/atomic/examples/pseudo-gen/al.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/as.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/clean.sh\nq-e-qe-7.6/atomic/examples/pseudo-gen/o.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/pt.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/Al.rrkj3\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/Asrel.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/OPBE.RRKJ3\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/Ptrel.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/SiPBE_nc\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/al.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/as.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/o.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/pt.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/reference/si_nc.out\nq-e-qe-7.6/atomic/examples/pseudo-gen/si_nc.in\nq-e-qe-7.6/atomic/examples/pseudo-gen/test.job\nq-e-qe-7.6/atomic/examples/pseudo-test/\nq-e-qe-7.6/atomic/examples/pseudo-test/AAREADME\nq-e-qe-7.6/atomic/examples/pseudo-test/Al.rrkj3\nq-e-qe-7.6/atomic/examples/pseudo-test/Asrel.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-test/Garel.ld1\nq-e-qe-7.6/atomic/examples/pseudo-test/NiUSPBE.RRKJ3\nq-e-qe-7.6/atomic/examples/pseudo-test/OPBE.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-test/RhUSPBEnlcc.RRKJ3.UPF\nq-e-qe-7.6/atomic/examples/pseudo-test/S.gon\nq-e-qe-7.6/atomic/examples/pseudo-test/al.in\nq-e-qe-7.6/atomic/examples/pseudo-test/as.in\nq-e-qe-7.6/atomic/examples/pseudo-test/clean.sh\nq-e-qe-7.6/atomic/examples/pseudo-test/ga.in\nq-e-qe-7.6/atomic/examples/pseudo-test/ni.in\nq-e-qe-7.6/atomic/examples/pseudo-test/o.in\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/al.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/as.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/ga.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/ni.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/o.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/rh.out\nq-e-qe-7.6/atomic/examples/pseudo-test/reference/s.out\nq-e-qe-7.6/atomic/examples/pseudo-test/rh.in\nq-e-qe-7.6/atomic/examples/pseudo-test/s.in\nq-e-qe-7.6/atomic/examples/pseudo-test/test.job\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/AAREADME\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ar.sla-gl.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ar.sla-noc.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ar.sla-pz.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/clean.sh\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/kr.sla-gl.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/kr.sla-noc.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/kr.sla-pz.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ne.sla-gl.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ne.sla-noc.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/ne.sla-pz.in\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-gl.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-gl.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-noc.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-noc.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-pz.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ar.sla-pz.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/compare.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-gl.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-gl.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-noc.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-noc.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-pz.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/kr.sla-pz.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-gl.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-gl.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-noc.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-noc.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-pz.freq-pol.dat\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/reference/ne.sla-pz.out\nq-e-qe-7.6/atomic/examples/vdw-in-tfvw/test.job\nq-e-qe-7.6/atomic/pseudo_library/\nq-e-qe-7.6/atomic/pseudo_library/AAAREADME\nq-e-qe-7.6/atomic/pseudo_library/LDA/\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Ag.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Al.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/As.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Au.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/B.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Br.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/C.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Cd.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Cl.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/F.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/H.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Hg.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Ir.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/N.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/O.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/O.rel-pz-rrkjus_h.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Os.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/P.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Pb.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Pd.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Rh.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Ru.rel-pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/S.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Sb.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Se.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/Si.rel-pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/clean\nq-e-qe-7.6/atomic/pseudo_library/LDA/REL/make_ps\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Ag.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Al.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/As.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Au.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Au.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/B.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Br.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/C.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Cd.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Cd.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Cl.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/F.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/H.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Hg.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Ir.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/N.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/O.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/O.pz-rrkjus_h.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Os.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/P.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Pb.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Pd.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Rh.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Ru.pz-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/S.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Sb.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Se.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/Si.pz-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/clean\nq-e-qe-7.6/atomic/pseudo_library/LDA/SR/make_ps\nq-e-qe-7.6/atomic/pseudo_library/PBE/\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Ag.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Al.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/As.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Au.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/B.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Br.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/C.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Cd.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Cl.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/F.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/H.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Hg.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Ir.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/N.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/O.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/O.rel-pbe-rrkjus_h.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Os.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/P.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Pb.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Pd.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Rh.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Ru.rel-pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/S.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Sb.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Se.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/Si.rel-pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/clean\nq-e-qe-7.6/atomic/pseudo_library/PBE/REL/make_ps\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Ag.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Al.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/As.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Au.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Au.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/B.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Br.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/C.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Cd.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Cd.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Cl.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/F.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/H.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Hg.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Ir.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Mg.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/N.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/O.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/O.pbe-rrkjus_h.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Os.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/P.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Pb.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Pd.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Rh.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Ru.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/S.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Sb.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Se.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Si.pbe-rrkj.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/Sn.pbe-rrkjus.in\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/clean\nq-e-qe-7.6/atomic/pseudo_library/PBE/SR/make_ps\nq-e-qe-7.6/atomic/pseudo_library/make_clean\nq-e-qe-7.6/atomic/pseudo_library/make_ps\nq-e-qe-7.6/atomic/src/\nq-e-qe-7.6/atomic/src/Makefile\nq-e-qe-7.6/atomic/src/add_exchange.f90\nq-e-qe-7.6/atomic/src/all_electron.f90\nq-e-qe-7.6/atomic/src/ascheq.f90\nq-e-qe-7.6/atomic/src/ascheqps.f90\nq-e-qe-7.6/atomic/src/ascheqps_drv.f90\nq-e-qe-7.6/atomic/src/atomic_paw.f90\nq-e-qe-7.6/atomic/src/c6_dft.f90\nq-e-qe-7.6/atomic/src/c6_tfvw.f90\nq-e-qe-7.6/atomic/src/calculate_gipaw_orbitals.f90\nq-e-qe-7.6/atomic/src/cfdsol.f90\nq-e-qe-7.6/atomic/src/chargeps.f90\nq-e-qe-7.6/atomic/src/compute_chi.f90\nq-e-qe-7.6/atomic/src/compute_chi_tm.f90\nq-e-qe-7.6/atomic/src/compute_phi.f90\nq-e-qe-7.6/atomic/src/compute_phi_tm.f90\nq-e-qe-7.6/atomic/src/compute_phius.f90\nq-e-qe-7.6/atomic/src/compute_potps.f90\nq-e-qe-7.6/atomic/src/compute_potps_new.f90\nq-e-qe-7.6/atomic/src/compute_q_3bess.f90\nq-e-qe-7.6/atomic/src/compute_relpert.f90\nq-e-qe-7.6/atomic/src/compute_solution.f90\nq-e-qe-7.6/atomic/src/default_conf.f90\nq-e-qe-7.6/atomic/src/descreening.f90\nq-e-qe-7.6/atomic/src/dfx_new.f90\nq-e-qe-7.6/atomic/src/dir_outward.f90\nq-e-qe-7.6/atomic/src/dirsol.f90\nq-e-qe-7.6/atomic/src/dmixp.f90\nq-e-qe-7.6/atomic/src/drho0ofvx.f90\nq-e-qe-7.6/atomic/src/drhoofv.f90\nq-e-qe-7.6/atomic/src/dvex.f90\nq-e-qe-7.6/atomic/src/el_config.f90\nq-e-qe-7.6/atomic/src/elsd.f90\nq-e-qe-7.6/atomic/src/elsd_highv.f90\nq-e-qe-7.6/atomic/src/elsdps.f90\nq-e-qe-7.6/atomic/src/elsdps_paw.f90\nq-e-qe-7.6/atomic/src/esic.f90\nq-e-qe-7.6/atomic/src/export_upf.f90\nq-e-qe-7.6/atomic/src/find_qi.f90\nq-e-qe-7.6/atomic/src/gener_pseudo.f90\nq-e-qe-7.6/atomic/src/grad_log.f90\nq-e-qe-7.6/atomic/src/green.f90\nq-e-qe-7.6/atomic/src/import_upf.f90\nq-e-qe-7.6/atomic/src/int_0_inf_dr.f90\nq-e-qe-7.6/atomic/src/integrate_inward.f90\nq-e-qe-7.6/atomic/src/integrate_outward.f90\nq-e-qe-7.6/atomic/src/intref.f90\nq-e-qe-7.6/atomic/src/inward.f90\nq-e-qe-7.6/atomic/src/kin_e_density.f90\nq-e-qe-7.6/atomic/src/kli.f90\nq-e-qe-7.6/atomic/src/ld1.f90\nq-e-qe-7.6/atomic/src/ld1_readin.f90\nq-e-qe-7.6/atomic/src/ld1_setup.f90\nq-e-qe-7.6/atomic/src/ld1_writeout.f90\nq-e-qe-7.6/atomic/src/ld1inc.f90\nq-e-qe-7.6/atomic/src/lderiv.f90\nq-e-qe-7.6/atomic/src/lderivps.f90\nq-e-qe-7.6/atomic/src/lschps.f90\nq-e-qe-7.6/atomic/src/new_potential.f90\nq-e-qe-7.6/atomic/src/newd_at.f90\nq-e-qe-7.6/atomic/src/nodenum.f90\nq-e-qe-7.6/atomic/src/normalize.f90\nq-e-qe-7.6/atomic/src/occ_spin.f90\nq-e-qe-7.6/atomic/src/outward.f90\nq-e-qe-7.6/atomic/src/parameters.f90\nq-e-qe-7.6/atomic/src/partial_wave_expansion.f90\nq-e-qe-7.6/atomic/src/paw_type.f90\nq-e-qe-7.6/atomic/src/pseudo_q.f90\nq-e-qe-7.6/atomic/src/pseudovloc.f90\nq-e-qe-7.6/atomic/src/read_pseudo_ncpp.f90\nq-e-qe-7.6/atomic/src/read_pseudo_rrkj3.f90\nq-e-qe-7.6/atomic/src/run_lda_half.f90\nq-e-qe-7.6/atomic/src/run_pseudo.f90\nq-e-qe-7.6/atomic/src/run_test.f90\nq-e-qe-7.6/atomic/src/scf.f90\nq-e-qe-7.6/atomic/src/seriebes.f90\nq-e-qe-7.6/atomic/src/set_psi_in.f90\nq-e-qe-7.6/atomic/src/set_rc_rv.f90\nq-e-qe-7.6/atomic/src/set_rho_core.f90\nq-e-qe-7.6/atomic/src/set_sl3.f90\nq-e-qe-7.6/atomic/src/sic_correction.f90\nq-e-qe-7.6/atomic/src/start_potps.f90\nq-e-qe-7.6/atomic/src/start_scheq.f90\nq-e-qe-7.6/atomic/src/starting_potential.f90\nq-e-qe-7.6/atomic/src/test_bessel.f90\nq-e-qe-7.6/atomic/src/trou.f90\nq-e-qe-7.6/atomic/src/utils.f90\nq-e-qe-7.6/atomic/src/v_of_rho_at.f90\nq-e-qe-7.6/atomic/src/vdpack.f90\nq-e-qe-7.6/atomic/src/vext.f90\nq-e-qe-7.6/atomic/src/vpack.f90\nq-e-qe-7.6/atomic/src/vxcgc.f90\nq-e-qe-7.6/atomic/src/write_ae_pseudo.f90\nq-e-qe-7.6/atomic/src/write_cpmd.f90\nq-e-qe-7.6/atomic/src/write_files.f90\nq-e-qe-7.6/atomic/src/write_paw_recon.f90\nq-e-qe-7.6/atomic/src/write_pseudo.f90\nq-e-qe-7.6/atomic/src/write_results.f90\nq-e-qe-7.6/atomic/src/write_resultsps.f90\nq-e-qe-7.6/cmake/\nq-e-qe-7.6/cmake/AddRPATH.cmake\nq-e-qe-7.6/cmake/CMakeGraphVizOptions.cmake\nq-e-qe-7.6/cmake/CrayFortranCompiler.cmake\nq-e-qe-7.6/cmake/DetermineDeviceArchitectures.cmake\nq-e-qe-7.6/cmake/DetermineGPUFeatures.cmake\nq-e-qe-7.6/cmake/FindDeviceXlib.cmake\nq-e-qe-7.6/cmake/FindELPA.cmake\nq-e-qe-7.6/cmake/FindEnviron.cmake\nq-e-qe-7.6/cmake/FindFFTW3.cmake\nq-e-qe-7.6/cmake/FindFoX.cmake\nq-e-qe-7.6/cmake/FindLibxc.cmake\nq-e-qe-7.6/cmake/FindMBD.cmake\nq-e-qe-7.6/cmake/FindSCALAPACK.cmake\nq-e-qe-7.6/cmake/FindVendorFFTW.cmake\nq-e-qe-7.6/cmake/FindWannier90.cmake\nq-e-qe-7.6/cmake/FujitsuFortranCompiler.cmake\nq-e-qe-7.6/cmake/GNUFortranCompiler.cmake\nq-e-qe-7.6/cmake/GitInfo.cmake\nq-e-qe-7.6/cmake/IBMFortranCompiler.cmake\nq-e-qe-7.6/cmake/IntelFortranCompiler.cmake\nq-e-qe-7.6/cmake/LLVMFlangCompiler.cmake\nq-e-qe-7.6/cmake/NVFortranCompiler.cmake\nq-e-qe-7.6/cmake/UseLATEX.cmake\nq-e-qe-7.6/cmake/flags/\nq-e-qe-7.6/cmake/flags/debug.cmake\nq-e-qe-7.6/cmake/flags/native.cmake\nq-e-qe-7.6/cmake/flags/native.pgi.cmake\nq-e-qe-7.6/cmake/qeConfig.cmake.in\nq-e-qe-7.6/cmake/qeHelpers.cmake\nq-e-qe-7.6/cmake/quantum_espresso.pc.in\nq-e-qe-7.6/cmake/unit_test.cmake\nq-e-qe-7.6/configure\nq-e-qe-7.6/dev-tools/\nq-e-qe-7.6/dev-tools/Makefile\nq-e-qe-7.6/dev-tools/README.helpdoc\nq-e-qe-7.6/dev-tools/README.md\nq-e-qe-7.6/dev-tools/callhtml.pl\nq-e-qe-7.6/dev-tools/calltree.pl\nq-e-qe-7.6/dev-tools/check_gui\nq-e-qe-7.6/dev-tools/check_versions.sh\nq-e-qe-7.6/dev-tools/device_props.c\nq-e-qe-7.6/dev-tools/diff_gui_help\nq-e-qe-7.6/dev-tools/exported-cmds.pwtk\nq-e-qe-7.6/dev-tools/gen-emacs-mode\nq-e-qe-7.6/dev-tools/gen-emacs-mode.tcl\nq-e-qe-7.6/dev-tools/get_device_props.py\nq-e-qe-7.6/dev-tools/guihelp.xsl\nq-e-qe-7.6/dev-tools/helpdoc\nq-e-qe-7.6/dev-tools/helpdoc.d/\nq-e-qe-7.6/dev-tools/helpdoc.d/auxil.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/gui.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/guihelp.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/helpdoc.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/modules.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/parseTags.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/readSchema.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/robodoc.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/syntax_txt.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/tclIndex\nq-e-qe-7.6/dev-tools/helpdoc.d/tree.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/txt.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/txt_enter.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/txt_leave.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/validate.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/vocabularies.tcl\nq-e-qe-7.6/dev-tools/helpdoc.d/xml.tcl\nq-e-qe-7.6/dev-tools/helpdoc.schema\nq-e-qe-7.6/dev-tools/input_xx.xsl\nq-e-qe-7.6/dev-tools/mem_analyse.py\nq-e-qe-7.6/dev-tools/mem_counter\nq-e-qe-7.6/dev-tools/mem_counter.py\nq-e-qe-7.6/dev-tools/porting/\nq-e-qe-7.6/dev-tools/porting/becmod.json\nq-e-qe-7.6/dev-tools/porting/derived_type_duplicated_module.jf90\nq-e-qe-7.6/dev-tools/porting/duplicated_module.jf90\nq-e-qe-7.6/dev-tools/porting/gen_derived.py\nq-e-qe-7.6/dev-tools/porting/gen_intrinsic.py\nq-e-qe-7.6/dev-tools/porting/regenerate_duplicated_variables.sh\nq-e-qe-7.6/dev-tools/release-checklist.md\nq-e-qe-7.6/dev-tools/src-normal\nq-e-qe-7.6/dev-tools/src-normal.py\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/README.md\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_default_mixed.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_default_nofallback.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_dim_base.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_dim_on_nonreal.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_enum_default.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_index_range.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_missing_dim.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_missing_units.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_required_default.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_units_base.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_units_exponent.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_units_nofallback.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/bad_vocab.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/good.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/good_bare_ref.def\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/run-tests.sh\nq-e-qe-7.6/dev-tools/test-helpdoc-strict/vocabularies.tcl\nq-e-qe-7.6/dev-tools/update_gui_help\nq-e-qe-7.6/dev-tools/version-update-checklist.md\nq-e-qe-7.6/dft-d3/\nq-e-qe-7.6/dft-d3/CMakeLists.txt\nq-e-qe-7.6/dft-d3/Makefile\nq-e-qe-7.6/dft-d3/README\nq-e-qe-7.6/dft-d3/api.f90\nq-e-qe-7.6/dft-d3/common.f90\nq-e-qe-7.6/dft-d3/core.f90\nq-e-qe-7.6/dft-d3/dftd3_qe.f90\nq-e-qe-7.6/dft-d3/pars.f90\nq-e-qe-7.6/dft-d3/sizes.f90\nq-e-qe-7.6/dft-d3/test_code.f90\nq-e-qe-7.6/environment_variables\nq-e-qe-7.6/external/\nq-e-qe-7.6/external/.gitignore\nq-e-qe-7.6/external/CMakeLists.txt\nq-e-qe-7.6/external/d3q/\nq-e-qe-7.6/external/devxlib/\nq-e-qe-7.6/external/devxlib.cmake\nq-e-qe-7.6/external/environ.cmake\nq-e-qe-7.6/external/fox/\nq-e-qe-7.6/external/fox.cmake\nq-e-qe-7.6/external/initialize_external_repos.sh\nq-e-qe-7.6/external/lapack/\nq-e-qe-7.6/external/mbd/\nq-e-qe-7.6/external/mbd.cmake\nq-e-qe-7.6/external/mbd.make\nq-e-qe-7.6/external/pw2qmcpack/\nq-e-qe-7.6/external/qe-gipaw/\nq-e-qe-7.6/external/submodule_commit_hash_records\nq-e-qe-7.6/external/update_commit_has_records.sh\nq-e-qe-7.6/external/wannier90/\nq-e-qe-7.6/external/wannier90.cmake\nq-e-qe-7.6/include/\nq-e-qe-7.6/include/cpv_device_macros.h\nq-e-qe-7.6/include/defs.h.README\nq-e-qe-7.6/include/qe_version.h\nq-e-qe-7.6/install/\nq-e-qe-7.6/install/README.FX10\nq-e-qe-7.6/install/aclocal.m4\nq-e-qe-7.6/install/addsonpatch.sh\nq-e-qe-7.6/install/addsontool.sh\nq-e-qe-7.6/install/build_fox_with_pgi.sh\nq-e-qe-7.6/install/config.guess\nq-e-qe-7.6/install/config.sub\nq-e-qe-7.6/install/configure.ac\nq-e-qe-7.6/install/configure.msg.in\nq-e-qe-7.6/install/extlibs_makefile\nq-e-qe-7.6/install/includedep.sh\nq-e-qe-7.6/install/install-sh\nq-e-qe-7.6/install/install_utils\nq-e-qe-7.6/install/m4/\nq-e-qe-7.6/install/m4/README\nq-e-qe-7.6/install/m4/ax_check_compile_flag.m4\nq-e-qe-7.6/install/m4/x_ac_qe_aix_dflags.m4\nq-e-qe-7.6/install/m4/x_ac_qe_ar.m4\nq-e-qe-7.6/install/m4/x_ac_qe_arch.m4\nq-e-qe-7.6/install/m4/x_ac_qe_blas.m4\nq-e-qe-7.6/install/m4/x_ac_qe_cc.m4\nq-e-qe-7.6/install/m4/x_ac_qe_cpp.m4\nq-e-qe-7.6/install/m4/x_ac_qe_cuda.m4\nq-e-qe-7.6/install/m4/x_ac_qe_default_env.m4\nq-e-qe-7.6/install/m4/x_ac_qe_elpa.m4\nq-e-qe-7.6/install/m4/x_ac_qe_environ.m4\nq-e-qe-7.6/install/m4/x_ac_qe_f90.m4\nq-e-qe-7.6/install/m4/x_ac_qe_f90rule.m4\nq-e-qe-7.6/install/m4/x_ac_qe_fft.m4\nq-e-qe-7.6/install/m4/x_ac_qe_fox.m4\nq-e-qe-7.6/install/m4/x_ac_qe_git.m4\nq-e-qe-7.6/install/m4/x_ac_qe_gpu.m4\nq-e-qe-7.6/install/m4/x_ac_qe_hdf5.m4\nq-e-qe-7.6/install/m4/x_ac_qe_lapack.m4\nq-e-qe-7.6/install/m4/x_ac_qe_ld.m4\nq-e-qe-7.6/install/m4/x_ac_qe_libxc.m4\nq-e-qe-7.6/install/m4/x_ac_qe_make_tree.m4\nq-e-qe-7.6/install/m4/x_ac_qe_makedeps.m4\nq-e-qe-7.6/install/m4/x_ac_qe_mass.m4\nq-e-qe-7.6/install/m4/x_ac_qe_mpi.m4\nq-e-qe-7.6/install/m4/x_ac_qe_mpif90.m4\nq-e-qe-7.6/install/m4/x_ac_qe_openmp.m4\nq-e-qe-7.6/install/m4/x_ac_qe_openmp_offload.m4\nq-e-qe-7.6/install/m4/x_ac_qe_plugins.m4\nq-e-qe-7.6/install/m4/x_ac_qe_ranlib.m4\nq-e-qe-7.6/install/m4/x_ac_qe_scalapack.m4\nq-e-qe-7.6/install/m4/x_ac_qe_signal.m4\nq-e-qe-7.6/install/m4/x_ac_qe_wget.m4\nq-e-qe-7.6/install/make.inc.in\nq-e-qe-7.6/install/make_lapack.inc.in\nq-e-qe-7.6/install/make_wannier90.inc.in\nq-e-qe-7.6/install/makedeps.sh\nq-e-qe-7.6/install/moduledep.sh\nq-e-qe-7.6/install/namedep.sh\nq-e-qe-7.6/install/oldlibs_makefile\nq-e-qe-7.6/install/plugins_list\nq-e-qe-7.6/install/plugins_makefile\nq-e-qe-7.6/install/refresh-configure.sh\nq-e-qe-7.6/install/tldeps\nq-e-qe-7.6/logo.jpg\nq-e-qe-7.6/pseudo/\nq-e-qe-7.6/pseudo/Au.pz-rrkjus_aewfc.UPF\nq-e-qe-7.6/pseudo/Au_ONCV_PBE_FR_.upf\nq-e-qe-7.6/pseudo/B-PBE.upf\nq-e-qe-7.6/pseudo/C-q4.gth\nq-e-qe-7.6/pseudo/C.UPF\nq-e-qe-7.6/pseudo/C_3.98148.UPF\nq-e-qe-7.6/pseudo/Fe.pz-n-nc.UPF\nq-e-qe-7.6/pseudo/H-q1.gth\nq-e-qe-7.6/pseudo/HUSPBE.RRKJ3\nq-e-qe-7.6/pseudo/H_US.van\nq-e-qe-7.6/pseudo/Mo-PBE.upf\nq-e-qe-7.6/pseudo/N-PBE.upf\nq-e-qe-7.6/pseudo/O-q6.gth\nq-e-qe-7.6/pseudo/O_US.van\nq-e-qe-7.6/pseudo/Rh.pbe-rrkjus_lb.UPF\nq-e-qe-7.6/pseudo/Rhs.pbe-rrkjus_lb.UPF\nq-e-qe-7.6/pseudo/S-PBE.upf\nq-e-qe-7.6/pseudo/Si.bhs\nq-e-qe-7.6/pseudo/Si_r.upf\nq-e-qe-7.6/pseudo/clean_ps\nq-e-qe-7.6/pseudo/pb_s.UPF\nq-e-qe-7.6/test-suite/\nq-e-qe-7.6/test-suite/.gitignore\nq-e-qe-7.6/test-suite/CMakeLists.txt\nq-e-qe-7.6/test-suite/ENVIRONMENT\nq-e-qe-7.6/test-suite/Makefile\nq-e-qe-7.6/test-suite/QEHeat_h2o/\nq-e-qe-7.6/test-suite/QEHeat_h2o/all_currents.in\nq-e-qe-7.6/test-suite/QEHeat_h2o/all_currents_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_h2o/benchmark.out.git.inp=all_currents.in\nq-e-qe-7.6/test-suite/QEHeat_h2o/benchmark.out.git.inp=all_currents_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_h2o/traj/\nq-e-qe-7.6/test-suite/QEHeat_h2o/traj/cp.pos\nq-e-qe-7.6/test-suite/QEHeat_h2o/traj/cp.vel\nq-e-qe-7.6/test-suite/QEHeat_rotation/\nq-e-qe-7.6/test-suite/QEHeat_rotation/all_currents.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/all_currents_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/all_currents_not_rotated.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/all_currents_not_rotated_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_not_rotated.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/benchmark.out.git.inp=all_currents_not_rotated_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_rotation/generate_all_currents.in.sh\nq-e-qe-7.6/test-suite/QEHeat_rotation/inpos\nq-e-qe-7.6/test-suite/QEHeat_rotation/invel\nq-e-qe-7.6/test-suite/QEHeat_rotation/rotate.py\nq-e-qe-7.6/test-suite/QEHeat_rotation/rotate_run.sh\nq-e-qe-7.6/test-suite/QEHeat_rotation/types\nq-e-qe-7.6/test-suite/QEHeat_translation/\nq-e-qe-7.6/test-suite/QEHeat_translation/README\nq-e-qe-7.6/test-suite/QEHeat_translation/benchmark.out.git.inp=input.in\nq-e-qe-7.6/test-suite/QEHeat_translation/benchmark.out.git.inp=input_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_translation/benchmark.out.git.inp=input_ar.in\nq-e-qe-7.6/test-suite/QEHeat_translation/benchmark.out.git.inp=input_ar_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_translation/input.in\nq-e-qe-7.6/test-suite/QEHeat_translation/input_2pt.in\nq-e-qe-7.6/test-suite/QEHeat_translation/input_ar.in\nq-e-qe-7.6/test-suite/QEHeat_translation/input_ar_2pt.in\nq-e-qe-7.6/test-suite/README\nq-e-qe-7.6/test-suite/README_CMake\nq-e-qe-7.6/test-suite/benchmarks/\nq-e-qe-7.6/test-suite/benchmarks/CMakeLists.txt\nq-e-qe-7.6/test-suite/benchmarks/pw/\nq-e-qe-7.6/test-suite/benchmarks/pw/ausurf.in\nq-e-qe-7.6/test-suite/benchmarks/pw/psiwat.in\nq-e-qe-7.6/test-suite/buildbot/\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/README.txt\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/README.txt.libxc\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_Anvf227_para_GPU.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_aocc_flang_openmpi507.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi316-dbg.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404-nimage.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_hdf5.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_libxc.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_openmpi404_openmp.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_gcc102_serial.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_intel20_openmpi412.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_nvf217_openmpi315.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_nvf217_serial_GPU.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/farmer_oneapi_impi.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/master.cfg\nq-e-qe-7.6/test-suite/buildbot/Udine_farm/worker.py\nq-e-qe-7.6/test-suite/check_pseudo.sh\nq-e-qe-7.6/test-suite/cp_al_edft/\nq-e-qe-7.6/test-suite/cp_al_edft/Al.in\nq-e-qe-7.6/test-suite/cp_al_edft/Al.uspp.in\nq-e-qe-7.6/test-suite/cp_al_edft/benchmark.out.git.inp=Al.in\nq-e-qe-7.6/test-suite/cp_al_edft/benchmark.out.git.inp=Al.uspp.in\nq-e-qe-7.6/test-suite/cp_cluster/\nq-e-qe-7.6/test-suite/cp_cluster/benchmark.out.git.inp=cluster4.in\nq-e-qe-7.6/test-suite/cp_cluster/benchmark.out.git.inp=cluster6.in\nq-e-qe-7.6/test-suite/cp_cluster/cluster4.in\nq-e-qe-7.6/test-suite/cp_cluster/cluster6.in\nq-e-qe-7.6/test-suite/cp_h2o/\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-1.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-2.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-3.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-4.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-5.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-6.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-7.in\nq-e-qe-7.6/test-suite/cp_h2o/benchmark.out.git.inp=h2o-mt-blyp-cg.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-1.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-2.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-3.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-4.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-5.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-6.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-7.in\nq-e-qe-7.6/test-suite/cp_h2o/h2o-mt-blyp-cg.in\nq-e-qe-7.6/test-suite/cp_h2o_exx/\nq-e-qe-7.6/test-suite/cp_h2o_exx/benchmark.out.git.inp=h2o-mt-b3lyp-1.in\nq-e-qe-7.6/test-suite/cp_h2o_exx/benchmark.out.git.inp=h2o-mt-exx_fraction.in\nq-e-qe-7.6/test-suite/cp_h2o_exx/h2o-mt-b3lyp-1.in\nq-e-qe-7.6/test-suite/cp_h2o_exx/h2o-mt-exx_fraction.in\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/benchmark.out.git.inp=nspin1.in\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/benchmark.out.git.inp=nspin2.in\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/nspin1.in\nq-e-qe-7.6/test-suite/cp_h2o_scan_libxc/nspin2.in\nq-e-qe-7.6/test-suite/cp_h2o_wf/\nq-e-qe-7.6/test-suite/cp_h2o_wf/README\nq-e-qe-7.6/test-suite/cp_h2o_wf/benchmark.out.git.inp=h2o-nspin1.in\nq-e-qe-7.6/test-suite/cp_h2o_wf/benchmark.out.git.inp=h2o-nspin2.in\nq-e-qe-7.6/test-suite/cp_h2o_wf/h2o-nspin1.in\nq-e-qe-7.6/test-suite/cp_h2o_wf/h2o-nspin2.in\nq-e-qe-7.6/test-suite/cp_o2/\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-1.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-2.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-3.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-4.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-5.in\nq-e-qe-7.6/test-suite/cp_o2/benchmark.out.git.inp=o2-us-para-pbe-6.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-1.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-2.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-3.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-4.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-5.in\nq-e-qe-7.6/test-suite/cp_o2/o2-us-para-pbe-6.in\nq-e-qe-7.6/test-suite/cp_si/\nq-e-qe-7.6/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-1.in\nq-e-qe-7.6/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-2.in\nq-e-qe-7.6/test-suite/cp_si/benchmark.out.git.inp=si-vbc-lda-3.in\nq-e-qe-7.6/test-suite/cp_si/si-vbc-lda-1.in\nq-e-qe-7.6/test-suite/cp_si/si-vbc-lda-2.in\nq-e-qe-7.6/test-suite/cp_si/si-vbc-lda-3.in\nq-e-qe-7.6/test-suite/cp_sio2/\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-1.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-2.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-3.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-4.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-lda-cg.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-1.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-2.in\nq-e-qe-7.6/test-suite/cp_sio2/benchmark.out.git.inp=sio2-us-pbe-cg.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-1.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-2.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-3.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-4.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-lda-cg.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-pbe-1.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-pbe-2.in\nq-e-qe-7.6/test-suite/cp_sio2/sio2-us-pbe-cg.in\nq-e-qe-7.6/test-suite/ctest_runner.sh\nq-e-qe-7.6/test-suite/epw_2D/\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw3.in.args=10\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw5.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw6.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=epw8.in.args=5\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=scf.in.args=0\nq-e-qe-7.6/test-suite/epw_2D/benchmark.out.git.inp=scf_epw.in.args=0\nq-e-qe-7.6/test-suite/epw_2D/epw1.in\nq-e-qe-7.6/test-suite/epw_2D/epw2.in\nq-e-qe-7.6/test-suite/epw_2D/epw3.in\nq-e-qe-7.6/test-suite/epw_2D/epw4.in\nq-e-qe-7.6/test-suite/epw_2D/epw5.in\nq-e-qe-7.6/test-suite/epw_2D/epw6.in\nq-e-qe-7.6/test-suite/epw_2D/epw7.in\nq-e-qe-7.6/test-suite/epw_2D/epw8.in\nq-e-qe-7.6/test-suite/epw_2D/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_2D/ph.in\nq-e-qe-7.6/test-suite/epw_2D/pp.in\nq-e-qe-7.6/test-suite/epw_2D/quadrupole.fmt\nq-e-qe-7.6/test-suite/epw_2D/scf.in\nq-e-qe-7.6/test-suite/epw_2D/scf_epw.in\nq-e-qe-7.6/test-suite/epw_base/\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw10.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw11.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw12.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw13.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=epw9.in.args=3\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_base/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_base/epw.in\nq-e-qe-7.6/test-suite/epw_base/epw1.in\nq-e-qe-7.6/test-suite/epw_base/epw10.in\nq-e-qe-7.6/test-suite/epw_base/epw11.in\nq-e-qe-7.6/test-suite/epw_base/epw12.in\nq-e-qe-7.6/test-suite/epw_base/epw13.in\nq-e-qe-7.6/test-suite/epw_base/epw2.in\nq-e-qe-7.6/test-suite/epw_base/epw3.in\nq-e-qe-7.6/test-suite/epw_base/epw4.in\nq-e-qe-7.6/test-suite/epw_base/epw5.in\nq-e-qe-7.6/test-suite/epw_base/epw6.in\nq-e-qe-7.6/test-suite/epw_base/epw9.in\nq-e-qe-7.6/test-suite/epw_base/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_base/path.dat\nq-e-qe-7.6/test-suite/epw_base/ph.in\nq-e-qe-7.6/test-suite/epw_base/pp.in\nq-e-qe-7.6/test-suite/epw_base/scf.in\nq-e-qe-7.6/test-suite/epw_base/scf_epw.in\nq-e-qe-7.6/test-suite/epw_hall/\nq-e-qe-7.6/test-suite/epw_hall/LGXKG4.txt\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=epw5.in.args=5\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_hall/benchmark.out.git.inp=scf.in.args=0\nq-e-qe-7.6/test-suite/epw_hall/epw1.in\nq-e-qe-7.6/test-suite/epw_hall/epw2.in\nq-e-qe-7.6/test-suite/epw_hall/epw3.in\nq-e-qe-7.6/test-suite/epw_hall/epw4.in\nq-e-qe-7.6/test-suite/epw_hall/epw5.in\nq-e-qe-7.6/test-suite/epw_hall/nscf.in\nq-e-qe-7.6/test-suite/epw_hall/ph.in\nq-e-qe-7.6/test-suite/epw_hall/pp.in\nq-e-qe-7.6/test-suite/epw_hall/quadrupole.fmt\nq-e-qe-7.6/test-suite/epw_hall/scf.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw1_dn.in.args=3\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw1_up.in.args=3\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw2_dn.in.args=3\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw2_up.in.args=3\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw3_dn.in.args=5\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=epw3_up.in.args=5\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_lsda_metal/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw1_dn.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw1_up.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw2_dn.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw2_up.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw3_dn.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/epw3_up.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/nscf.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/ph.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/pp.in\nq-e-qe-7.6/test-suite/epw_lsda_metal/scf.in\nq-e-qe-7.6/test-suite/epw_metal/\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw1_dn.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw1_up.in.args=5\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw2_dn.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw2_up.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw3_dn.in.args=5\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw3_up.in.args=5\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw5.in.args=10\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=epw6.in.args=11\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=nscf_epw_lsda.in.args=1\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_metal/benchmark.out.git.inp=scf_epw_lsda.in.args=1\nq-e-qe-7.6/test-suite/epw_metal/epw1.in\nq-e-qe-7.6/test-suite/epw_metal/epw1_dn.in\nq-e-qe-7.6/test-suite/epw_metal/epw1_up.in\nq-e-qe-7.6/test-suite/epw_metal/epw2.in\nq-e-qe-7.6/test-suite/epw_metal/epw2_dn.in\nq-e-qe-7.6/test-suite/epw_metal/epw2_up.in\nq-e-qe-7.6/test-suite/epw_metal/epw3.in\nq-e-qe-7.6/test-suite/epw_metal/epw3_dn.in\nq-e-qe-7.6/test-suite/epw_metal/epw3_up.in\nq-e-qe-7.6/test-suite/epw_metal/epw4.in\nq-e-qe-7.6/test-suite/epw_metal/epw5.in\nq-e-qe-7.6/test-suite/epw_metal/epw6.in\nq-e-qe-7.6/test-suite/epw_metal/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_metal/nscf_epw_lsda.in\nq-e-qe-7.6/test-suite/epw_metal/ph.in\nq-e-qe-7.6/test-suite/epw_metal/pp.in\nq-e-qe-7.6/test-suite/epw_metal/save/\nq-e-qe-7.6/test-suite/epw_metal/save/ifc.q2r\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dvscf_q1\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dvscf_q2\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dvscf_q3\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dvscf_q4\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dyn_q1\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dyn_q2\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dyn_q3\nq-e-qe-7.6/test-suite/epw_metal/save/pb.dyn_q4\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/control_ph.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/patterns.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/patterns.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/patterns.3.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/patterns.4.xml\nq-e-qe-7.6/test-suite/epw_metal/save/pb.phsave/status_run.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/ifc.q2r\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dvscf_q1\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dvscf_q2\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dvscf_q3\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dvscf_q4\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dyn_q1\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dyn_q2\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dyn_q3\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.dyn_q4\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/control_ph.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/patterns.1.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/patterns.2.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/patterns.3.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/patterns.4.xml\nq-e-qe-7.6/test-suite/epw_metal/save_lsda/pb.phsave/status_run.xml\nq-e-qe-7.6/test-suite/epw_metal/scf.in\nq-e-qe-7.6/test-suite/epw_metal/scf_epw.in\nq-e-qe-7.6/test-suite/epw_metal/scf_epw_lsda.in\nq-e-qe-7.6/test-suite/epw_metal/scf_lsda.in\nq-e-qe-7.6/test-suite/epw_mob/\nq-e-qe-7.6/test-suite/epw_mob/LGX.txt\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_mob/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob/epw1.in\nq-e-qe-7.6/test-suite/epw_mob/epw2.in\nq-e-qe-7.6/test-suite/epw_mob/epw3.in\nq-e-qe-7.6/test-suite/epw_mob/epw4.in\nq-e-qe-7.6/test-suite/epw_mob/epw5.in\nq-e-qe-7.6/test-suite/epw_mob/epw6.in\nq-e-qe-7.6/test-suite/epw_mob/kpt.txt\nq-e-qe-7.6/test-suite/epw_mob/nscf.in\nq-e-qe-7.6/test-suite/epw_mob/ph.in\nq-e-qe-7.6/test-suite/epw_mob/pp.in\nq-e-qe-7.6/test-suite/epw_mob/pp.py\nq-e-qe-7.6/test-suite/epw_mob/q2r.in\nq-e-qe-7.6/test-suite/epw_mob/scf.in\nq-e-qe-7.6/test-suite/epw_mob/si.eig\nq-e-qe-7.6/test-suite/epw_mob_U/\nq-e-qe-7.6/test-suite/epw_mob_U/LGX.dat\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob_U/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_U/epw1.in\nq-e-qe-7.6/test-suite/epw_mob_U/epw2.in\nq-e-qe-7.6/test-suite/epw_mob_U/epw3.in\nq-e-qe-7.6/test-suite/epw_mob_U/epw4.in\nq-e-qe-7.6/test-suite/epw_mob_U/nscf.in\nq-e-qe-7.6/test-suite/epw_mob_U/ph.in\nq-e-qe-7.6/test-suite/epw_mob_U/pp.in\nq-e-qe-7.6/test-suite/epw_mob_U/scf.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/\nq-e-qe-7.6/test-suite/epw_mob_ibte/LGX.txt\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_mob_ibte/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_ibte/epw1.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/epw2.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/epw3.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/nscf.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/ph.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/pp.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/q2r.in\nq-e-qe-7.6/test-suite/epw_mob_ibte/scf.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/LGX.txt\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw4.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw6.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw8.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw9.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw1.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw2.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw3.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw4.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw5.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw6.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw7.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw8.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/epw9.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/nscf.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/ph.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/pp.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/q2r.in\nq-e-qe-7.6/test-suite/epw_mob_ibte_sym/scf.in\nq-e-qe-7.6/test-suite/epw_mob_polar/\nq-e-qe-7.6/test-suite/epw_mob_polar/Ga-LDA.upf\nq-e-qe-7.6/test-suite/epw_mob_polar/MGA.txt\nq-e-qe-7.6/test-suite/epw_mob_polar/N-LDA.upf\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=epw3.in.args=5\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_mob_polar/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_mob_polar/epw1.in\nq-e-qe-7.6/test-suite/epw_mob_polar/epw2.in\nq-e-qe-7.6/test-suite/epw_mob_polar/epw3.in\nq-e-qe-7.6/test-suite/epw_mob_polar/nscf.in\nq-e-qe-7.6/test-suite/epw_mob_polar/ph.in\nq-e-qe-7.6/test-suite/epw_mob_polar/pp.in\nq-e-qe-7.6/test-suite/epw_mob_polar/scf.in\nq-e-qe-7.6/test-suite/epw_pl/\nq-e-qe-7.6/test-suite/epw_pl/LGX.txt\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_pl/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_pl/epw1.in\nq-e-qe-7.6/test-suite/epw_pl/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_pl/ph.in\nq-e-qe-7.6/test-suite/epw_pl/pp.in\nq-e-qe-7.6/test-suite/epw_pl/qgrid.txt\nq-e-qe-7.6/test-suite/epw_pl/scf.in\nq-e-qe-7.6/test-suite/epw_pl/scf_epw.in\nq-e-qe-7.6/test-suite/epw_plrn/\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_plrn/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_plrn/epw1.in\nq-e-qe-7.6/test-suite/epw_plrn/epw2.in\nq-e-qe-7.6/test-suite/epw_plrn/nscf.in\nq-e-qe-7.6/test-suite/epw_plrn/ph.in\nq-e-qe-7.6/test-suite/epw_plrn/pp.in\nq-e-qe-7.6/test-suite/epw_plrn/scf.in\nq-e-qe-7.6/test-suite/epw_polar/\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_polar/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_polar/epw1.in\nq-e-qe-7.6/test-suite/epw_polar/epw3.in\nq-e-qe-7.6/test-suite/epw_polar/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_polar/ph.in\nq-e-qe-7.6/test-suite/epw_polar/pp.in\nq-e-qe-7.6/test-suite/epw_polar/scf.in\nq-e-qe-7.6/test-suite/epw_polar/scf_epw.in\nq-e-qe-7.6/test-suite/epw_qdpt/\nq-e-qe-7.6/test-suite/epw_qdpt/LGX.txt\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_qdpt/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_qdpt/epw1.in\nq-e-qe-7.6/test-suite/epw_qdpt/epw2.in\nq-e-qe-7.6/test-suite/epw_qdpt/epw2_no_elpa.in\nq-e-qe-7.6/test-suite/epw_qdpt/nscf.in\nq-e-qe-7.6/test-suite/epw_qdpt/ph.in\nq-e-qe-7.6/test-suite/epw_qdpt/pp.in\nq-e-qe-7.6/test-suite/epw_qdpt/pp.py\nq-e-qe-7.6/test-suite/epw_qdpt/q2r.in\nq-e-qe-7.6/test-suite/epw_qdpt/scf.in\nq-e-qe-7.6/test-suite/epw_soc/\nq-e-qe-7.6/test-suite/epw_soc/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_soc/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_soc/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_soc/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_soc/epw1.in\nq-e-qe-7.6/test-suite/epw_soc/epw2.in\nq-e-qe-7.6/test-suite/epw_soc/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_soc/ph.in\nq-e-qe-7.6/test-suite/epw_soc/pp.in\nq-e-qe-7.6/test-suite/epw_soc/save/\nq-e-qe-7.6/test-suite/epw_soc/save/ifc.q2r.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dvscf_q1\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dvscf_q2\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dvscf_q3\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dvscf_q4\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dyn_q1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dyn_q2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dyn_q3.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.dyn_q4.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/control_ph.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.1.0.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.1.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.2.0.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.2.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.2.2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.3.0.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.3.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.3.2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.4.0.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.4.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.4.2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/dynmat.4.3.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/patterns.1.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/patterns.2.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/patterns.3.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/patterns.4.xml\nq-e-qe-7.6/test-suite/epw_soc/save/pb.phsave/status_run.xml\nq-e-qe-7.6/test-suite/epw_soc/scf.in\nq-e-qe-7.6/test-suite/epw_soc/scf_epw.in\nq-e-qe-7.6/test-suite/epw_super/\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw4.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw5.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw6.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw7.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=epw8.in.args=3\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=nscf2supercond.in.args=9\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=nscf_outerbands.in.args=1\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_super/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_super/epw1.in\nq-e-qe-7.6/test-suite/epw_super/epw2.in\nq-e-qe-7.6/test-suite/epw_super/epw3.in\nq-e-qe-7.6/test-suite/epw_super/epw4.in\nq-e-qe-7.6/test-suite/epw_super/epw5.in\nq-e-qe-7.6/test-suite/epw_super/epw6.in\nq-e-qe-7.6/test-suite/epw_super/epw7.in\nq-e-qe-7.6/test-suite/epw_super/epw8.in\nq-e-qe-7.6/test-suite/epw_super/nscf2supercond.in\nq-e-qe-7.6/test-suite/epw_super/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_super/nscf_outerbands.in\nq-e-qe-7.6/test-suite/epw_super/ph.in\nq-e-qe-7.6/test-suite/epw_super/pp.in\nq-e-qe-7.6/test-suite/epw_super/scf.in\nq-e-qe-7.6/test-suite/epw_super/scf_epw.in\nq-e-qe-7.6/test-suite/epw_tdbe/\nq-e-qe-7.6/test-suite/epw_tdbe/LGX.txt\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_tdbe/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_tdbe/epw1.in\nq-e-qe-7.6/test-suite/epw_tdbe/epw2.in\nq-e-qe-7.6/test-suite/epw_tdbe/epw3.in\nq-e-qe-7.6/test-suite/epw_tdbe/nscf.in\nq-e-qe-7.6/test-suite/epw_tdbe/ph.in\nq-e-qe-7.6/test-suite/epw_tdbe/pp.in\nq-e-qe-7.6/test-suite/epw_tdbe/scf.in\nq-e-qe-7.6/test-suite/epw_trev/\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=nscf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev/benchmark.out.git.inp=scf_epw.in.args=1\nq-e-qe-7.6/test-suite/epw_trev/epw1.in\nq-e-qe-7.6/test-suite/epw_trev/nscf_epw.in\nq-e-qe-7.6/test-suite/epw_trev/ph.in\nq-e-qe-7.6/test-suite/epw_trev/pp.in\nq-e-qe-7.6/test-suite/epw_trev/scf.in\nq-e-qe-7.6/test-suite/epw_trev/scf_epw.in\nq-e-qe-7.6/test-suite/epw_trev_paw/\nq-e-qe-7.6/test-suite/epw_trev_paw/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_trev_paw/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev_paw/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_trev_paw/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev_paw/epw1.in\nq-e-qe-7.6/test-suite/epw_trev_paw/nscf.in\nq-e-qe-7.6/test-suite/epw_trev_paw/path.dat\nq-e-qe-7.6/test-suite/epw_trev_paw/pathq.dat\nq-e-qe-7.6/test-suite/epw_trev_paw/ph.in\nq-e-qe-7.6/test-suite/epw_trev_paw/pp.in\nq-e-qe-7.6/test-suite/epw_trev_paw/scf.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/\nq-e-qe-7.6/test-suite/epw_trev_uspp/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/epw_trev_uspp/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev_uspp/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_trev_uspp/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_trev_uspp/epw1.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/nscf.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/path.dat\nq-e-qe-7.6/test-suite/epw_trev_uspp/pathq.dat\nq-e-qe-7.6/test-suite/epw_trev_uspp/ph.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/pp.in\nq-e-qe-7.6/test-suite/epw_trev_uspp/scf.in\nq-e-qe-7.6/test-suite/epw_wfpt/\nq-e-qe-7.6/test-suite/epw_wfpt/.gitignore\nq-e-qe-7.6/test-suite/epw_wfpt/README.md\nq-e-qe-7.6/test-suite/epw_wfpt/ahc1.in\nq-e-qe-7.6/test-suite/epw_wfpt/ahc2.in\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=ahc1.in.args=7\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=ahc2.in.args=7\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw11.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw12.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw21.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw22.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=epw23.in.args=3\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=matdyn.in.args=6\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=nscf1.in.args=1\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=nscf2.in.args=1\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=q2r.in.args=4\nq-e-qe-7.6/test-suite/epw_wfpt/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/epw_wfpt/epw11.in\nq-e-qe-7.6/test-suite/epw_wfpt/epw12.in\nq-e-qe-7.6/test-suite/epw_wfpt/epw21.in\nq-e-qe-7.6/test-suite/epw_wfpt/epw22.in\nq-e-qe-7.6/test-suite/epw_wfpt/epw23.in\nq-e-qe-7.6/test-suite/epw_wfpt/kpath.GammaX.txt\nq-e-qe-7.6/test-suite/epw_wfpt/matdyn.in\nq-e-qe-7.6/test-suite/epw_wfpt/nscf1.in\nq-e-qe-7.6/test-suite/epw_wfpt/nscf2.in\nq-e-qe-7.6/test-suite/epw_wfpt/ph.in\nq-e-qe-7.6/test-suite/epw_wfpt/postahc1.in\nq-e-qe-7.6/test-suite/epw_wfpt/postahc2.in\nq-e-qe-7.6/test-suite/epw_wfpt/pp.in\nq-e-qe-7.6/test-suite/epw_wfpt/q2r.in\nq-e-qe-7.6/test-suite/epw_wfpt/scf.in\nq-e-qe-7.6/test-suite/extract-all_currents.sh\nq-e-qe-7.6/test-suite/extract-cp.sh\nq-e-qe-7.6/test-suite/extract-epw.sh\nq-e-qe-7.6/test-suite/extract-hp.sh\nq-e-qe-7.6/test-suite/extract-image.sh\nq-e-qe-7.6/test-suite/extract-kcw.sh\nq-e-qe-7.6/test-suite/extract-oscdft-pp.sh\nq-e-qe-7.6/test-suite/extract-ph.sh\nq-e-qe-7.6/test-suite/extract-pioud.sh\nq-e-qe-7.6/test-suite/extract-pp.sh\nq-e-qe-7.6/test-suite/extract-pw.sh\nq-e-qe-7.6/test-suite/extract-tddfpt.sh\nq-e-qe-7.6/test-suite/extract-zg.sh\nq-e-qe-7.6/test-suite/gpu-resource-example.json\nq-e-qe-7.6/test-suite/hp_insulator_paw/\nq-e-qe-7.6/test-suite/hp_insulator_paw/BN.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_paw/BN.scf.in\nq-e-qe-7.6/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/CrI3.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/CrI3.scf.1.in\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/CrI3.scf.2.in\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.scf.1.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_paw_magn/benchmark.out.git.inp=CrI3.scf.2.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us/\nq-e-qe-7.6/test-suite/hp_insulator_us/LiCoO2.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_us/LiCoO2.scf.in\nq-e-qe-7.6/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us/benchmark.out.git.inp=LiCoO2.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/LiCoO2.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/LiCoO2.scf.in\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us_intersiteV/benchmark.out.git.inp=LiCoO2.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/NiO.hp.in\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/NiO.scf.1.in\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/NiO.scf.2.in\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=2\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=1\nq-e-qe-7.6/test-suite/hp_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=2\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/Fe.hp.in\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/Fe.scf.in\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/benchmark.out.git.inp=Fe.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_metal_paw_magn/benchmark.out.git.inp=Fe.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/LiNiO2.hp.in\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/LiNiO2.scf.in\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/benchmark.out.git.inp=LiNiO2.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_metal_paw_magn_intersiteV/benchmark.out.git.inp=LiNiO2.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_metal_us_magn/\nq-e-qe-7.6/test-suite/hp_metal_us_magn/Ni.hp.in\nq-e-qe-7.6/test-suite/hp_metal_us_magn/Ni.scf.in\nq-e-qe-7.6/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_metal_us_magn/benchmark.out.git.inp=Ni.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/benchmark.out.git.inp=bn.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/bn.hp.in\nq-e-qe-7.6/test-suite/hp_soc_UV_paw_magn/bn.scf.in\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/au.hp.in\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/au.scf.in\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_soc_U_nc_nonmagn/benchmark.out.git.inp=au.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.hp.in.args=3\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.hp.in.args=4\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.scf.in.args=1\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/benchmark.out.git.inp=bn.scf.in.args=2\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/bn.hp.in\nq-e-qe-7.6/test-suite/hp_soc_U_us_magn/bn.scf.in\nq-e-qe-7.6/test-suite/image_para/\nq-e-qe-7.6/test-suite/image_para/benchmark.out.git.inp=si.ph.in.args=2\nq-e-qe-7.6/test-suite/image_para/benchmark.out.git.inp=si.scf.in.args=1\nq-e-qe-7.6/test-suite/image_para/si.ph.in\nq-e-qe-7.6/test-suite/image_para/si.scf.in\nq-e-qe-7.6/test-suite/jobconfig\nq-e-qe-7.6/test-suite/kcw_ks/\nq-e-qe-7.6/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-ham.in.args=7\nq-e-qe-7.6/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-screen.in.args=16\nq-e-qe-7.6/test-suite/kcw_ks/benchmark.out.git.inp=h2o.kcw-wann2kcw.in.args=15\nq-e-qe-7.6/test-suite/kcw_ks/benchmark.out.git.inp=h2o.scf.in.args=1\nq-e-qe-7.6/test-suite/kcw_ks/h2o.kcw-ham.in\nq-e-qe-7.6/test-suite/kcw_ks/h2o.kcw-screen.in\nq-e-qe-7.6/test-suite/kcw_ks/h2o.kcw-wann2kcw.in\nq-e-qe-7.6/test-suite/kcw_ks/h2o.scf.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.kcw-ham.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.kcw-screen.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.kcw-wann2kcw.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.pw2wann.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.scf.in\nq-e-qe-7.6/test-suite/kcw_wann-nc/Si_nc.win\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-ham.in.args=7\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-screen.in.args=6\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.kcw-wann2kcw.in.args=5\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.pw2wann.in.args=3\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.scf.in.args=1\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.win.args=2\nq-e-qe-7.6/test-suite/kcw_wann-nc/benchmark.out.git.inp=Si_nc.win.args=4\nq-e-qe-7.6/test-suite/kcw_wann/\nq-e-qe-7.6/test-suite/kcw_wann/Si.kcw-ham.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.kcw-screen.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.kcw-wann2kcw.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.pw2wann.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.scf.in\nq-e-qe-7.6/test-suite/kcw_wann/Si.win\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-ham.in.args=7\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-screen.in.args=6\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.kcw-wann2kcw.in.args=5\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.pw2wann.in.args=3\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.scf.in.args=1\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.win.args=2\nq-e-qe-7.6/test-suite/kcw_wann/benchmark.out.git.inp=Si.win.args=4\nq-e-qe-7.6/test-suite/kcw_wann_sym/\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.kcw-ham.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.kcw-screen.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.kcw-wann2kcw.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.pw2wann.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.scf.in\nq-e-qe-7.6/test-suite/kcw_wann_sym/Si.win\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-ham.in.args=7\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-screen.in.args=6\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.kcw-wann2kcw.in.args=5\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.pw2wann.in.args=3\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.scf.in.args=1\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.win.args=2\nq-e-qe-7.6/test-suite/kcw_wann_sym/benchmark.out.git.inp=Si.win.args=4\nq-e-qe-7.6/test-suite/noexe/\nq-e-qe-7.6/test-suite/noexe/benchmark.out.git.inp=langevin.in\nq-e-qe-7.6/test-suite/noexe/benchmark.out.git.inp=langevin_smc.in\nq-e-qe-7.6/test-suite/noexe/benchmark.out.git.inp=md_verlet_wall.in\nq-e-qe-7.6/test-suite/noexe/langevin.in\nq-e-qe-7.6/test-suite/noexe/langevin_smc.in\nq-e-qe-7.6/test-suite/noexe/md_verlet_wall.in\nq-e-qe-7.6/test-suite/not_epw_comp/\nq-e-qe-7.6/test-suite/not_epw_comp/epw1.in\nq-e-qe-7.6/test-suite/not_epw_comp/grid.py\nq-e-qe-7.6/test-suite/not_epw_comp/nscf_epw.in\nq-e-qe-7.6/test-suite/not_epw_comp/ph.in\nq-e-qe-7.6/test-suite/not_epw_comp/ph_epw.in\nq-e-qe-7.6/test-suite/not_epw_comp/scf.in\nq-e-qe-7.6/test-suite/not_epw_comp/scf_epw.in\nq-e-qe-7.6/test-suite/not_epw_scdm/\nq-e-qe-7.6/test-suite/not_epw_scdm/LGX.txt\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=epw1.in.args=3\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=epw2.in.args=3\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=epw3.in.args=3\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/not_epw_scdm/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/not_epw_scdm/epw1.in\nq-e-qe-7.6/test-suite/not_epw_scdm/epw2.in\nq-e-qe-7.6/test-suite/not_epw_scdm/epw3.in\nq-e-qe-7.6/test-suite/not_epw_scdm/nscf.in\nq-e-qe-7.6/test-suite/not_epw_scdm/ph.in\nq-e-qe-7.6/test-suite/not_epw_scdm/pp.in\nq-e-qe-7.6/test-suite/not_epw_scdm/scf.in\nq-e-qe-7.6/test-suite/oscdft_pp/\nq-e-qe-7.6/test-suite/oscdft_pp/benchmark.out.git.inp=normalize.in.args=3_normalize.oscdft.in_pw.in\nq-e-qe-7.6/test-suite/oscdft_pp/benchmark.out.git.inp=view.in.args=3_view.oscdft.in_pw.in\nq-e-qe-7.6/test-suite/oscdft_pp/normalize.in\nq-e-qe-7.6/test-suite/oscdft_pp/normalize.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pp/pw.in\nq-e-qe-7.6/test-suite/oscdft_pp/view.in\nq-e-qe-7.6/test-suite/oscdft_pp/view.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=k.in.args=2_k.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=nooscdft.in.args=1\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=normcons.in.args=2_normcons.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=relax.in.args=2_scf.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=scf.in.args=2_scf.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/benchmark.out.git.inp=view.in.args=2_view.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/k.in\nq-e-qe-7.6/test-suite/oscdft_pw/k.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/nooscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/normcons.in\nq-e-qe-7.6/test-suite/oscdft_pw/normcons.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/relax.in\nq-e-qe-7.6/test-suite/oscdft_pw/scf.in\nq-e-qe-7.6/test-suite/oscdft_pw/scf.oscdft.in\nq-e-qe-7.6/test-suite/oscdft_pw/view.in\nq-e-qe-7.6/test-suite/oscdft_pw/view.oscdft.in\nq-e-qe-7.6/test-suite/ph_1d/\nq-e-qe-7.6/test-suite/ph_1d/benchmark.out.git.inp=ch4.dynmat.in.args=9\nq-e-qe-7.6/test-suite/ph_1d/benchmark.out.git.inp=ch4.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_1d/benchmark.out.git.inp=ch4.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_1d/ch4.dynmat.in\nq-e-qe-7.6/test-suite/ph_1d/ch4.ph.in\nq-e-qe-7.6/test-suite/ph_1d/ch4.scf.in\nq-e-qe-7.6/test-suite/ph_2d/\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=matdyn1.in.args=8\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=matdyn2.in.args=8\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=q2r1.in.args=3\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=q2r2.in.args=3\nq-e-qe-7.6/test-suite/ph_2d/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/ph_2d/matdyn1.in\nq-e-qe-7.6/test-suite/ph_2d/matdyn2.in\nq-e-qe-7.6/test-suite/ph_2d/ph.in\nq-e-qe-7.6/test-suite/ph_2d/q2r1.in\nq-e-qe-7.6/test-suite/ph_2d/q2r2.in\nq-e-qe-7.6/test-suite/ph_2d/scf.in\nq-e-qe-7.6/test-suite/ph_2d_metal/\nq-e-qe-7.6/test-suite/ph_2d_metal/benchmark.out.git.inp=phG.in.args=2\nq-e-qe-7.6/test-suite/ph_2d_metal/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/ph_2d_metal/phG.in\nq-e-qe-7.6/test-suite/ph_2d_metal/scf.in\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/Ni.ph.in\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/Ni.scf.in\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/benchmark.out.git.inp=Ni.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_Ni_nc_spinorbit_mag/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/BN.phG.in\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/BN.phq.in\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/BN.scf.in\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.phq.in.args=2\nq-e-qe-7.6/test-suite/ph_U_insulator_paw/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_U_insulator_us/\nq-e-qe-7.6/test-suite/ph_U_insulator_us/BN.phG.in\nq-e-qe-7.6/test-suite/ph_U_insulator_us/BN.phq.in\nq-e-qe-7.6/test-suite/ph_U_insulator_us/BN.scf.in\nq-e-qe-7.6/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.phq.in.args=2\nq-e-qe-7.6/test-suite/ph_U_insulator_us/benchmark.out.git.inp=BN.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_U_metal_paw/\nq-e-qe-7.6/test-suite/ph_U_metal_paw/Ni.phq.in\nq-e-qe-7.6/test-suite/ph_U_metal_paw/Ni.scf.in\nq-e-qe-7.6/test-suite/ph_U_metal_paw/benchmark.out.git.inp=Ni.phq.in.args=2\nq-e-qe-7.6/test-suite/ph_U_metal_paw/benchmark.out.git.inp=Ni.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_U_metal_us/\nq-e-qe-7.6/test-suite/ph_U_metal_us/Fe.ph.in\nq-e-qe-7.6/test-suite/ph_U_metal_us/Fe.scf.in\nq-e-qe-7.6/test-suite/ph_U_metal_us/benchmark.out.git.inp=Fe.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_U_metal_us/benchmark.out.git.inp=Fe.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_bas/\nq-e-qe-7.6/test-suite/ph_ahc_bas/.gitignore\nq-e-qe-7.6/test-suite/ph_ahc_bas/ahc1.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/ahc2.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc.in.args=2\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc1.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=ahc2.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=dvscfq2r.in.args=6\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=matdyn1.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=matdyn2.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=nscf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=ph.in.args=2\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=postahc1.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=postahc2.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=q2r.in.args=3\nq-e-qe-7.6/test-suite/ph_ahc_bas/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_bas/dvscfq2r.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/matdyn1.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/matdyn2.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/nscf.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/ph.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/postahc1.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/postahc2.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/q2r.in\nq-e-qe-7.6/test-suite/ph_ahc_bas/scf.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/\nq-e-qe-7.6/test-suite/ph_ahc_diam/.gitignore\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc1.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc2.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ahc3.in.args=10\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.dvscfq2r.doneutral.in.args=6\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.dvscfq2r.in.args=6\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn1.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn2.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.matdyn3.in.args=4\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.nscf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.nscf.nosym.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc1.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc2.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.postahc3.in.args=7\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.q2r.in.args=3\nq-e-qe-7.6/test-suite/ph_ahc_diam/benchmark.out.git.inp=diam.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.ahc1.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.ahc2.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.ahc3.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.dvscfq2r.doneutral.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.dvscfq2r.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.matdyn1.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.matdyn2.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.matdyn3.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.nscf.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.nscf.nosym.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.ph.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.postahc1.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.postahc2.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.postahc3.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.q2r.in\nq-e-qe-7.6/test-suite/ph_ahc_diam/diam.scf.in\nq-e-qe-7.6/test-suite/ph_base/\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=c.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=c.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=ni.phX.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=ni.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=nipaw.phX.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=nipaw.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=si.ph.in.args=8\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=si.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=si.phX.in.args=2\nq-e-qe-7.6/test-suite/ph_base/benchmark.out.git.inp=si.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_base/c.phG.in\nq-e-qe-7.6/test-suite/ph_base/c.scf.in\nq-e-qe-7.6/test-suite/ph_base/ni.phX.in\nq-e-qe-7.6/test-suite/ph_base/ni.scf.in\nq-e-qe-7.6/test-suite/ph_base/nipaw.phX.in\nq-e-qe-7.6/test-suite/ph_base/nipaw.scf.in\nq-e-qe-7.6/test-suite/ph_base/si.phG.in\nq-e-qe-7.6/test-suite/ph_base/si.phX.in\nq-e-qe-7.6/test-suite/ph_base/si.scf.in\nq-e-qe-7.6/test-suite/ph_diag_direct/\nq-e-qe-7.6/test-suite/ph_diag_direct/benchmark.out.git.inp=ph-davidson.in.args=2\nq-e-qe-7.6/test-suite/ph_diag_direct/benchmark.out.git.inp=ph-direct.in.args=2\nq-e-qe-7.6/test-suite/ph_diag_direct/benchmark.out.git.inp=scf.in.args=1\nq-e-qe-7.6/test-suite/ph_diag_direct/ph-davidson.in\nq-e-qe-7.6/test-suite/ph_diag_direct/ph-direct.in\nq-e-qe-7.6/test-suite/ph_diag_direct/scf.in\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/O2.phG.in\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/O2.scf.1.in\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/O2.scf.2.in\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.scf.1.in.args=1\nq-e-qe-7.6/test-suite/ph_insulator_paw_magn/benchmark.out.git.inp=O2.scf.2.in.args=1\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/NiO.phG.in\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/NiO.scf.1.in\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/NiO.scf.2.in\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.phG.in.args=2\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.scf.1.in.args=1\nq-e-qe-7.6/test-suite/ph_insulator_us_magn/benchmark.out.git.inp=NiO.scf.2.in.args=1\nq-e-qe-7.6/test-suite/ph_interpol_metal/\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.dvscfq2r.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.elph.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.elph.interpol.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.ph.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/al.scf.in\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.dvscfq2r.in.args=6\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.elph.in.args=2\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.elph.interpol.in.args=10\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_interpol_metal/benchmark.out.git.inp=al.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_metal/\nq-e-qe-7.6/test-suite/ph_metal/al.elph.in\nq-e-qe-7.6/test-suite/ph_metal/al.elph.notrans.in\nq-e-qe-7.6/test-suite/ph_metal/al.scf.fit.in\nq-e-qe-7.6/test-suite/ph_metal/al.scf.in\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=al.elph.in.args=2\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=al.elph.notrans.in.args=10\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=al.scf.fit.in.args=1\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=al.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=lambda.in.args=5\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=matdyn.in.dos.args=4\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=matdyn.in.freq.args=4\nq-e-qe-7.6/test-suite/ph_metal/benchmark.out.git.inp=q2r.in.args=3\nq-e-qe-7.6/test-suite/ph_metal/lambda.in\nq-e-qe-7.6/test-suite/ph_metal/matdyn.in.dos\nq-e-qe-7.6/test-suite/ph_metal/matdyn.in.freq\nq-e-qe-7.6/test-suite/ph_metal/q2r.in\nq-e-qe-7.6/test-suite/ph_multipole/\nq-e-qe-7.6/test-suite/ph_multipole/README.txt\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.01.args=2\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.02.args=2\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.03.args=2\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=ph.in.04.args=13\nq-e-qe-7.6/test-suite/ph_multipole/benchmark.out.git.inp=scf.in.args=12\nq-e-qe-7.6/test-suite/ph_multipole/multipole.py\nq-e-qe-7.6/test-suite/ph_multipole/ph.in\nq-e-qe-7.6/test-suite/ph_multipole/scf.in\nq-e-qe-7.6/test-suite/ph_raman/\nq-e-qe-7.6/test-suite/ph_raman/benchmark.out.git.inp=h2o.dynmat.in.args=9\nq-e-qe-7.6/test-suite/ph_raman/benchmark.out.git.inp=h2o.ph.in.args=2\nq-e-qe-7.6/test-suite/ph_raman/benchmark.out.git.inp=h2o.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_raman/h2o.dynmat.in\nq-e-qe-7.6/test-suite/ph_raman/h2o.ph.in\nq-e-qe-7.6/test-suite/ph_raman/h2o.scf.in\nq-e-qe-7.6/test-suite/ph_restart/\nq-e-qe-7.6/test-suite/ph_restart/SiC.phG.restart1.in\nq-e-qe-7.6/test-suite/ph_restart/SiC.phG.restart2.in\nq-e-qe-7.6/test-suite/ph_restart/SiC.phG.restart3.in\nq-e-qe-7.6/test-suite/ph_restart/SiC.phG.restart4.in\nq-e-qe-7.6/test-suite/ph_restart/SiC.scf.in\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart1.in.args=2\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart2.in.args=10\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart3.in.args=10\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.phG.restart4.in.args=10\nq-e-qe-7.6/test-suite/ph_restart/benchmark.out.git.inp=SiC.scf.in.args=1\nq-e-qe-7.6/test-suite/ph_twochem/\nq-e-qe-7.6/test-suite/ph_twochem/benchmark.out.git.inp=phG2.in.args=11\nq-e-qe-7.6/test-suite/ph_twochem/benchmark.out.git.inp=phG_twochem.in.args=11\nq-e-qe-7.6/test-suite/ph_twochem/benchmark.out.git.inp=scf2.in.args=1\nq-e-qe-7.6/test-suite/ph_twochem/benchmark.out.git.inp=scf_twochem.in.args=1\nq-e-qe-7.6/test-suite/ph_twochem/phG2.in\nq-e-qe-7.6/test-suite/ph_twochem/phG_twochem.in\nq-e-qe-7.6/test-suite/ph_twochem/scf2.in\nq-e-qe-7.6/test-suite/ph_twochem/scf_twochem.in\nq-e-qe-7.6/test-suite/pioud_diamond/\nq-e-qe-7.6/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_ceriotti.in\nq-e-qe-7.6/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_pimd.in\nq-e-qe-7.6/test-suite/pioud_diamond/benchmark.out.git.inp=diamond_verlet.in\nq-e-qe-7.6/test-suite/pioud_diamond/diamond_ceriotti.in\nq-e-qe-7.6/test-suite/pioud_diamond/diamond_pimd.in\nq-e-qe-7.6/test-suite/pioud_diamond/diamond_verlet.in\nq-e-qe-7.6/test-suite/pp_acf/\nq-e-qe-7.6/test-suite/pp_acf/benchmark.out.git.inp=ppacf_fock.in.args=2\nq-e-qe-7.6/test-suite/pp_acf/benchmark.out.git.inp=scf_vdw.in.args=1\nq-e-qe-7.6/test-suite/pp_acf/ppacf_fock.in\nq-e-qe-7.6/test-suite/pp_acf/scf_vdw.in\nq-e-qe-7.6/test-suite/pw_atom/\nq-e-qe-7.6/test-suite/pw_atom/atom-lsda.in\nq-e-qe-7.6/test-suite/pw_atom/atom-occ1.in\nq-e-qe-7.6/test-suite/pw_atom/atom-occ2.in\nq-e-qe-7.6/test-suite/pw_atom/atom-pbe.in\nq-e-qe-7.6/test-suite/pw_atom/atom-sigmapbe.in\nq-e-qe-7.6/test-suite/pw_atom/atom.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-lsda.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-occ1.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-occ2.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-pbe.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom-sigmapbe.in\nq-e-qe-7.6/test-suite/pw_atom/benchmark.out.git.inp=atom.in\nq-e-qe-7.6/test-suite/pw_b3lyp/\nq-e-qe-7.6/test-suite/pw_b3lyp/b3lyp-O.in\nq-e-qe-7.6/test-suite/pw_b3lyp/b3lyp-O_std.in\nq-e-qe-7.6/test-suite/pw_b3lyp/b3lyp-h2o.in\nq-e-qe-7.6/test-suite/pw_b3lyp/b3lyp-h2o_std.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-O.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-O_std.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-h2o.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=b3lyp-h2o_std.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=x3lyp-O.in\nq-e-qe-7.6/test-suite/pw_b3lyp/benchmark.out.git.inp=x3lyp-h2o.in\nq-e-qe-7.6/test-suite/pw_b3lyp/x3lyp-O.in\nq-e-qe-7.6/test-suite/pw_b3lyp/x3lyp-h2o.in\nq-e-qe-7.6/test-suite/pw_berry/\nq-e-qe-7.6/test-suite/pw_berry/benchmark.out.git.inp=berry-1.in\nq-e-qe-7.6/test-suite/pw_berry/benchmark.out.git.inp=berry-2.in\nq-e-qe-7.6/test-suite/pw_berry/benchmark.out.git.inp=berry.in\nq-e-qe-7.6/test-suite/pw_berry/berry-1.in\nq-e-qe-7.6/test-suite/pw_berry/berry-2.in\nq-e-qe-7.6/test-suite/pw_berry/berry.in\nq-e-qe-7.6/test-suite/pw_cluster/\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster1.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster2.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster3.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster4.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster5.in\nq-e-qe-7.6/test-suite/pw_cluster/benchmark.out.git.inp=cluster6.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster1.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster2.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster3.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster4.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster5.in\nq-e-qe-7.6/test-suite/pw_cluster/cluster6.in\nq-e-qe-7.6/test-suite/pw_dft/\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft1.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft10.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft11.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft2.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft3.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft4.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft5.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft6.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft7.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft8.in\nq-e-qe-7.6/test-suite/pw_dft/benchmark.out.git.inp=dft9.in\nq-e-qe-7.6/test-suite/pw_dft/dft1.in\nq-e-qe-7.6/test-suite/pw_dft/dft10.in\nq-e-qe-7.6/test-suite/pw_dft/dft11.in\nq-e-qe-7.6/test-suite/pw_dft/dft2.in\nq-e-qe-7.6/test-suite/pw_dft/dft3.in\nq-e-qe-7.6/test-suite/pw_dft/dft4.in\nq-e-qe-7.6/test-suite/pw_dft/dft5.in\nq-e-qe-7.6/test-suite/pw_dft/dft6.in\nq-e-qe-7.6/test-suite/pw_dft/dft7.in\nq-e-qe-7.6/test-suite/pw_dft/dft8.in\nq-e-qe-7.6/test-suite/pw_dft/dft9.in\nq-e-qe-7.6/test-suite/pw_diag_direct/\nq-e-qe-7.6/test-suite/pw_diag_direct/benchmark.out.git.inp=scf-davidson.in\nq-e-qe-7.6/test-suite/pw_diag_direct/benchmark.out.git.inp=scf-direct.in\nq-e-qe-7.6/test-suite/pw_diag_direct/scf-davidson.in\nq-e-qe-7.6/test-suite/pw_diag_direct/scf-direct.in\nq-e-qe-7.6/test-suite/pw_dipole/\nq-e-qe-7.6/test-suite/pw_dipole/2dcutoff.in\nq-e-qe-7.6/test-suite/pw_dipole/benchmark.out.git.inp=2dcutoff.in\nq-e-qe-7.6/test-suite/pw_dipole/benchmark.out.git.inp=dipole.in\nq-e-qe-7.6/test-suite/pw_dipole/dipole.in\nq-e-qe-7.6/test-suite/pw_electric/\nq-e-qe-7.6/test-suite/pw_electric/benchmark.out.git.inp=electric-1.in\nq-e-qe-7.6/test-suite/pw_electric/benchmark.out.git.inp=electric-2.in\nq-e-qe-7.6/test-suite/pw_electric/benchmark.out.git.inp=electric.in\nq-e-qe-7.6/test-suite/pw_electric/electric-1.in\nq-e-qe-7.6/test-suite/pw_electric/electric-2.in\nq-e-qe-7.6/test-suite/pw_electric/electric.in\nq-e-qe-7.6/test-suite/pw_eval/\nq-e-qe-7.6/test-suite/pw_eval/benchmark.out.git.inp=eval_infix-2.in\nq-e-qe-7.6/test-suite/pw_eval/benchmark.out.git.inp=eval_infix.in\nq-e-qe-7.6/test-suite/pw_eval/eval_infix-2.in\nq-e-qe-7.6/test-suite/pw_eval/eval_infix.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/\nq-e-qe-7.6/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si111.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si222.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/benchmark.out.git.inp=gau-pbe-si444.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/gau-pbe-si111.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/gau-pbe-si222.in\nq-e-qe-7.6/test-suite/pw_gau-pbe/gau-pbe-si444.in\nq-e-qe-7.6/test-suite/pw_hse/\nq-e-qe-7.6/test-suite/pw_hse/benchmark.out.git.inp=hse-si111.in\nq-e-qe-7.6/test-suite/pw_hse/benchmark.out.git.inp=hse-si222.in\nq-e-qe-7.6/test-suite/pw_hse/benchmark.out.git.inp=hse-si444.in\nq-e-qe-7.6/test-suite/pw_hse/benchmark.out.git.inp=hse-si444_std.in\nq-e-qe-7.6/test-suite/pw_hse/hse-si111.in\nq-e-qe-7.6/test-suite/pw_hse/hse-si222.in\nq-e-qe-7.6/test-suite/pw_hse/hse-si444.in\nq-e-qe-7.6/test-suite/pw_hse/hse-si444_std.in\nq-e-qe-7.6/test-suite/pw_irrbz/\nq-e-qe-7.6/test-suite/pw_irrbz/benchmark.out.git.inp=scf.in\nq-e-qe-7.6/test-suite/pw_irrbz/scf.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-12-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-12.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-3-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-3.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-5-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav-5.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters+a.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters+celldm.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters-ang.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav0-cell_parameters.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav1-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav1.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav10-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav10.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav11-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav11.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav12-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav12.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav13-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav13.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav14-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav14.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav2-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav2.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav3-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav3.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav4-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav4.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav5-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav5.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav6-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav6.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav7-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav7.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav8-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav8.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav9-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-ibrav9.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/benchmark.out.git.inp=lattice-wyckoff-sio2.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-12-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-12.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-3-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-3.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-5-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav-5.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters+a.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters+celldm.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters-ang.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav0-cell_parameters.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav1-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav1.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav10-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav10.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav11-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav11.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav12-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav12.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav13-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav13.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav14-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav14.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav2-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav2.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav3-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav3.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav4-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav4.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav5-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav5.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav6-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav6.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav7-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav7.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav8-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav8.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav9-kauto.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-ibrav9.in\nq-e-qe-7.6/test-suite/pw_lattice-ibrav/lattice-wyckoff-sio2.in\nq-e-qe-7.6/test-suite/pw_lda+U/\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+J0.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V-user_ns.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_background.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_force_stress_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U+V_noncol_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U-noU.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U-user_ns.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_background_one_channel.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_background_two_channels.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_force.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_force_stress_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_gamma.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_kind1_collin.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_kind1_noncollin.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_noncol_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_orbital_resolved.in\nq-e-qe-7.6/test-suite/pw_lda+U/benchmark.out.git.inp=lda+U_pseudo.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+J0.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+V-user_ns.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+V_background.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+V_force_stress_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U+V_noncol_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U-noU.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U-noU.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U-user_ns.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U-user_ns.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_background_one_channel.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_background_two_channels.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_force.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_force.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_force_stress_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_gamma.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_gamma.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_kind1_collin.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_kind1_noncollin.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_noncol_ortho.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_orbital_resolved.in\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_orbital_resolved.ref\nq-e-qe-7.6/test-suite/pw_lda+U/lda+U_pseudo.in\nq-e-qe-7.6/test-suite/pw_libxc/\nq-e-qe-7.6/test-suite/pw_libxc/benchmark.out.git.inp=gga_unpol_atom-pbe.in\nq-e-qe-7.6/test-suite/pw_libxc/benchmark.out.git.inp=hyb_gga_unpol_hse-si111.in\nq-e-qe-7.6/test-suite/pw_libxc/benchmark.out.git.inp=lda_pol_atom-lsda.in\nq-e-qe-7.6/test-suite/pw_libxc/benchmark.out.git.inp=mgga_unpol_metaGGA.in\nq-e-qe-7.6/test-suite/pw_libxc/gga_unpol_atom-pbe.in\nq-e-qe-7.6/test-suite/pw_libxc/hyb_gga_unpol_hse-si111.in\nq-e-qe-7.6/test-suite/pw_libxc/lda_pol_atom-lsda.in\nq-e-qe-7.6/test-suite/pw_libxc/mgga_unpol_metaGGA.in\nq-e-qe-7.6/test-suite/pw_lsda/\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-2.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-cg.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-nelup+neldw.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda-tot_magnetization.in\nq-e-qe-7.6/test-suite/pw_lsda/benchmark.out.git.inp=lsda.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-2.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-cg.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-nelup+neldw.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda-tot_magnetization.in\nq-e-qe-7.6/test-suite/pw_lsda/lsda.in\nq-e-qe-7.6/test-suite/pw_md/\nq-e-qe-7.6/test-suite/pw_md/CMakeLists.txt\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap1.in\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap1.in.args=1\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap2.in\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-pot_extrap2.in.args=2\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-wfc_extrap1.in.args=1\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md-wfc_extrap2.in.args=2\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md.in.args=1\nq-e-qe-7.6/test-suite/pw_md/benchmark.out.git.inp=md_restart_verlet.in.args=22\nq-e-qe-7.6/test-suite/pw_md/md-pot_extrap1.in\nq-e-qe-7.6/test-suite/pw_md/md-pot_extrap2.in\nq-e-qe-7.6/test-suite/pw_md/md-wfc_extrap1.in\nq-e-qe-7.6/test-suite/pw_md/md-wfc_extrap2.in\nq-e-qe-7.6/test-suite/pw_md/md.in\nq-e-qe-7.6/test-suite/pw_md/md_restart_verlet.in\nq-e-qe-7.6/test-suite/pw_md/md_restart_verlet_original.md\nq-e-qe-7.6/test-suite/pw_metaGGA/\nq-e-qe-7.6/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-1.in\nq-e-qe-7.6/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-2.in\nq-e-qe-7.6/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA-spin.in\nq-e-qe-7.6/test-suite/pw_metaGGA/benchmark.out.git.inp=metaGGA.in\nq-e-qe-7.6/test-suite/pw_metaGGA/metaGGA-1.in\nq-e-qe-7.6/test-suite/pw_metaGGA/metaGGA-2.in\nq-e-qe-7.6/test-suite/pw_metaGGA/metaGGA-spin.in\nq-e-qe-7.6/test-suite/pw_metaGGA/metaGGA.in\nq-e-qe-7.6/test-suite/pw_metal/\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-2.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-fermi_dirac.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-gaussian.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra-1.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra-2.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal-tetrahedra.in\nq-e-qe-7.6/test-suite/pw_metal/benchmark.out.git.inp=metal.in\nq-e-qe-7.6/test-suite/pw_metal/metal-2.in\nq-e-qe-7.6/test-suite/pw_metal/metal-fermi_dirac.in\nq-e-qe-7.6/test-suite/pw_metal/metal-gaussian.in\nq-e-qe-7.6/test-suite/pw_metal/metal-tetrahedra-1.in\nq-e-qe-7.6/test-suite/pw_metal/metal-tetrahedra-2.in\nq-e-qe-7.6/test-suite/pw_metal/metal-tetrahedra.in\nq-e-qe-7.6/test-suite/pw_metal/metal.in\nq-e-qe-7.6/test-suite/pw_noncolin/\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-1.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-2.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-cg.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_angle.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_atomic.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-constrain_total.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-hyb.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-hyb_std.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-pbe.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-rmm.in\nq-e-qe-7.6/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-1.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-2.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-cg.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-constrain_angle.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-constrain_atomic.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-constrain_total.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-hyb.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-hyb_std.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-pbe.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin-rmm.in\nq-e-qe-7.6/test-suite/pw_noncolin/noncolin.in\nq-e-qe-7.6/test-suite/pw_pawatom/\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_l=2.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_lda.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_spin.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_spin_lda.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-atom_tqr.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-bfgs.in\nq-e-qe-7.6/test-suite/pw_pawatom/benchmark.out.git.inp=paw-vcbfgs.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_l=2.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_lda.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_spin.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_spin_lda.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-atom_tqr.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-bfgs.in\nq-e-qe-7.6/test-suite/pw_pawatom/paw-vcbfgs.in\nq-e-qe-7.6/test-suite/pw_pbe/\nq-e-qe-7.6/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si111.in\nq-e-qe-7.6/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si222.in\nq-e-qe-7.6/test-suite/pw_pbe/benchmark.out.git.inp=pbe0-si444.in\nq-e-qe-7.6/test-suite/pw_pbe/benchmark.out.git.inp=pbeq2d.in\nq-e-qe-7.6/test-suite/pw_pbe/pbe0-si111.in\nq-e-qe-7.6/test-suite/pw_pbe/pbe0-si222.in\nq-e-qe-7.6/test-suite/pw_pbe/pbe0-si444.in\nq-e-qe-7.6/test-suite/pw_pbe/pbeq2d.in\nq-e-qe-7.6/test-suite/pw_plugins/\nq-e-qe-7.6/test-suite/pw_plugins/benchmark.out.git.inp=plugin-pw2casino_1.in.args=48\nq-e-qe-7.6/test-suite/pw_plugins/benchmark.out.git.inp=plugin-pw2casino_2.in.args=48\nq-e-qe-7.6/test-suite/pw_plugins/plugin-pw2casino_1.in\nq-e-qe-7.6/test-suite/pw_plugins/plugin-pw2casino_2.in\nq-e-qe-7.6/test-suite/pw_realspace/\nq-e-qe-7.6/test-suite/pw_realspace/benchmark.out.git.inp=cluster_gs.in\nq-e-qe-7.6/test-suite/pw_realspace/benchmark.out.git.inp=cluster_gs50.in\nq-e-qe-7.6/test-suite/pw_realspace/benchmark.out.git.inp=cluster_rs.in\nq-e-qe-7.6/test-suite/pw_realspace/benchmark.out.git.inp=cluster_rs50.in\nq-e-qe-7.6/test-suite/pw_realspace/cluster_gs.in\nq-e-qe-7.6/test-suite/pw_realspace/cluster_gs50.in\nq-e-qe-7.6/test-suite/pw_realspace/cluster_rs.in\nq-e-qe-7.6/test-suite/pw_realspace/cluster_rs50.in\nq-e-qe-7.6/test-suite/pw_relax/\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax-damped.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax-el.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax-extfor.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax-fire.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax2-bfgs_ndim3.in\nq-e-qe-7.6/test-suite/pw_relax/benchmark.out.git.inp=relax2.in\nq-e-qe-7.6/test-suite/pw_relax/relax-damped.in\nq-e-qe-7.6/test-suite/pw_relax/relax-el.in\nq-e-qe-7.6/test-suite/pw_relax/relax-extfor.in\nq-e-qe-7.6/test-suite/pw_relax/relax-fire.in\nq-e-qe-7.6/test-suite/pw_relax/relax.in\nq-e-qe-7.6/test-suite/pw_relax/relax2-bfgs_ndim3.in\nq-e-qe-7.6/test-suite/pw_relax/relax2.in\nq-e-qe-7.6/test-suite/pw_scf/\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-1.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-2.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-allfrac.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-cg-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-cg.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io-1.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io-2.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-disk_io.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-gth.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-k0.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-kauto.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-kcrys.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_beta.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-ncpp.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-nofrac.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-occ.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-paro-k.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-k.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf-rmm-paro-k.in\nq-e-qe-7.6/test-suite/pw_scf/benchmark.out.git.inp=scf.in\nq-e-qe-7.6/test-suite/pw_scf/scf-1.in\nq-e-qe-7.6/test-suite/pw_scf/scf-2.in\nq-e-qe-7.6/test-suite/pw_scf/scf-allfrac.in\nq-e-qe-7.6/test-suite/pw_scf/scf-cg-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-cg.in\nq-e-qe-7.6/test-suite/pw_scf/scf-disk_io-1.in\nq-e-qe-7.6/test-suite/pw_scf/scf-disk_io-2.in\nq-e-qe-7.6/test-suite/pw_scf/scf-disk_io.in\nq-e-qe-7.6/test-suite/pw_scf/scf-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-gth.in\nq-e-qe-7.6/test-suite/pw_scf/scf-k0.in\nq-e-qe-7.6/test-suite/pw_scf/scf-kauto.in\nq-e-qe-7.6/test-suite/pw_scf/scf-kcrys.in\nq-e-qe-7.6/test-suite/pw_scf/scf-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_scf/scf-mixing_beta.in\nq-e-qe-7.6/test-suite/pw_scf/scf-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_scf/scf-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_scf/scf-ncpp.in\nq-e-qe-7.6/test-suite/pw_scf/scf-nofrac.in\nq-e-qe-7.6/test-suite/pw_scf/scf-occ.in\nq-e-qe-7.6/test-suite/pw_scf/scf-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-paro-k.in\nq-e-qe-7.6/test-suite/pw_scf/scf-rmm-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-rmm-k.in\nq-e-qe-7.6/test-suite/pw_scf/scf-rmm-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_scf/scf-rmm-paro-k.in\nq-e-qe-7.6/test-suite/pw_scf/scf.in\nq-e-qe-7.6/test-suite/pw_spinorbit/\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-1.in\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-3.in\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-paw.in\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit-pbe.in\nq-e-qe-7.6/test-suite/pw_spinorbit/benchmark.out.git.inp=spinorbit.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit-1.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit-3.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit-paw.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit-pbe.in\nq-e-qe-7.6/test-suite/pw_spinorbit/spinorbit.in\nq-e-qe-7.6/test-suite/pw_twochem/\nq-e-qe-7.6/test-suite/pw_twochem/benchmark.out.git.inp=nscf_twochem.in.args=2\nq-e-qe-7.6/test-suite/pw_twochem/benchmark.out.git.inp=relax_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/benchmark.out.git.inp=scf_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/benchmark.out.git.inp=vc-relax_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/nscf_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/relax_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/scf_twochem.in\nq-e-qe-7.6/test-suite/pw_twochem/vc-relax_twochem.in\nq-e-qe-7.6/test-suite/pw_uspp/\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-2.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-cg-gamma.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-cg.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-g.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-g_std.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-k.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-hyb-k_std.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-paro-k.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp-singlegrid.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp1-coulomb.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp1.in\nq-e-qe-7.6/test-suite/pw_uspp/benchmark.out.git.inp=uspp2.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-2.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-cg-gamma.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-cg.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-hyb-g.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-hyb-g_std.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-hyb-k.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-hyb-k_std.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-mixing_TF.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-mixing_localTF.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-mixing_ndim.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-paro-gamma.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-paro-k.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp-singlegrid.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp1-coulomb.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp1.in\nq-e-qe-7.6/test-suite/pw_uspp/uspp2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-md1.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-md2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax1.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax3.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax4.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax5.in\nq-e-qe-7.6/test-suite/pw_vc-relax/benchmark.out.git.inp=vc-relax6.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-md1.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-md2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax1.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax2.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax3.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax4.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax5.in\nq-e-qe-7.6/test-suite/pw_vc-relax/vc-relax6.in\nq-e-qe-7.6/test-suite/pw_vdw/\nq-e-qe-7.6/test-suite/pw_vdw/beef-spin.in\nq-e-qe-7.6/test-suite/pw_vdw/beef.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=beef-spin.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=beef.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=rVV10.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdW-DF3-opt1.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdW-DF3-opt2.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-d2.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-d3.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-mbd-vc-relax.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-mbd.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=vdw-ts.in\nq-e-qe-7.6/test-suite/pw_vdw/benchmark.out.git.inp=xdm.in\nq-e-qe-7.6/test-suite/pw_vdw/rVV10.in\nq-e-qe-7.6/test-suite/pw_vdw/vdW-DF3-opt1.in\nq-e-qe-7.6/test-suite/pw_vdw/vdW-DF3-opt2.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-d2.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-d3.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-mbd-vc-relax.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-mbd.in\nq-e-qe-7.6/test-suite/pw_vdw/vdw-ts.in\nq-e-qe-7.6/test-suite/pw_vdw/xdm.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-gamma-restart-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-gamma-restart-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-k-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=ncpp-k-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-gamma-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-gamma-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-restart-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-restart-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-smearing-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/benchmark.out.git.inp=uspp-k-smearing-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/ncpp-gamma-restart-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/ncpp-gamma-restart-2.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/ncpp-k-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/ncpp-k-2.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-gamma-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-gamma-2.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-k-restart-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-k-restart-2.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-k-smearing-1.in\nq-e-qe-7.6/test-suite/pw_workflow_exx_nscf/uspp-k-smearing-2.in\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/benchmark.out.git.inp=relax-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/benchmark.out.git.inp=relax-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/relax-1.in\nq-e-qe-7.6/test-suite/pw_workflow_relax_relax/relax-2.in\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/benchmark.out.git.inp=scf-dos-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/benchmark.out.git.inp=scf-dos-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/scf-dos-1.in\nq-e-qe-7.6/test-suite/pw_workflow_scf_dos/scf-dos-2.in\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/benchmark.out.git.inp=vc-relax-dos-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/benchmark.out.git.inp=vc-relax-dos-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/vc-relax-dos-1.in\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_dos/vc-relax-dos-2.in\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/benchmark.out.git.inp=vc-relax-scf-1.in.args=1\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/benchmark.out.git.inp=vc-relax-scf-2.in.args=2\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-1.expected_exit_msg\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-1.in\nq-e-qe-7.6/test-suite/pw_workflow_vc-relax_scf/vc-relax-scf-2.in\nq-e-qe-7.6/test-suite/run-all_currents.sh\nq-e-qe-7.6/test-suite/run-cp.sh\nq-e-qe-7.6/test-suite/run-epw.sh\nq-e-qe-7.6/test-suite/run-hp.sh\nq-e-qe-7.6/test-suite/run-image.sh\nq-e-qe-7.6/test-suite/run-kcw.sh\nq-e-qe-7.6/test-suite/run-oscdft.sh\nq-e-qe-7.6/test-suite/run-ph.sh\nq-e-qe-7.6/test-suite/run-pioud.sh\nq-e-qe-7.6/test-suite/run-pp.sh\nq-e-qe-7.6/test-suite/run-pw.sh\nq-e-qe-7.6/test-suite/run-tddfpt.sh\nq-e-qe-7.6/test-suite/run-zg.sh\nq-e-qe-7.6/test-suite/tddfpt_CH4/\nq-e-qe-7.6/test-suite/tddfpt_CH4/CH4.pw.in\nq-e-qe-7.6/test-suite/tddfpt_CH4/CH4.td-lan.in\nq-e-qe-7.6/test-suite/tddfpt_CH4/CH4.td-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.td-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_CH4/benchmark.out.git.inp=CH4.td-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_eels-al/\nq-e-qe-7.6/test-suite/tddfpt_eels-al/Al.pw.in\nq-e-qe-7.6/test-suite/tddfpt_eels-al/Al.tddfpt-eels.in\nq-e-qe-7.6/test-suite/tddfpt_eels-al/Al_uspp.pw.in\nq-e-qe-7.6/test-suite/tddfpt_eels-al/Al_uspp.tddfpt-eels.in\nq-e-qe-7.6/test-suite/tddfpt_eels-al/benchmark.out.git.inp=Al.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_eels-al/benchmark.out.git.inp=Al.tddfpt-eels.in.args=5\nq-e-qe-7.6/test-suite/tddfpt_eels-al/benchmark.out.git.inp=Al_uspp.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_eels-al/benchmark.out.git.inp=Al_uspp.tddfpt-eels.in.args=5\nq-e-qe-7.6/test-suite/tddfpt_eels-si/\nq-e-qe-7.6/test-suite/tddfpt_eels-si/Si.pw.in\nq-e-qe-7.6/test-suite/tddfpt_eels-si/Si.tddfpt-eels.in\nq-e-qe-7.6/test-suite/tddfpt_eels-si/Si.tddfpt_pp_eels.in\nq-e-qe-7.6/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.tddfpt-eels.in.args=5\nq-e-qe-7.6/test-suite/tddfpt_eels-si/benchmark.out.git.inp=Si.tddfpt_pp_eels.in.args=4\nq-e-qe-7.6/test-suite/tddfpt_hyb/\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetd-dav.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetd-lan.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetd-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetda-dav.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetda-lan.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/acetda-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetd-dav.in.args=8\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetd-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetd-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetda-dav.in.args=8\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetda-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=acetda-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=td-dav.in.args=8\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=td-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=td-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=tda-dav.in.args=8\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=tda-lan.in.args=2\nq-e-qe-7.6/test-suite/tddfpt_hyb/benchmark.out.git.inp=tda-lan_pp.in.args=3\nq-e-qe-7.6/test-suite/tddfpt_hyb/pw.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/td-dav.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/td-lan.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/td-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/tda-dav.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/tda-lan.in\nq-e-qe-7.6/test-suite/tddfpt_hyb/tda-lan_pp.in\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/Fe.pw.in\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/Fe.tddfpt-magnons.in\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/Fe.tddfpt_pp_magnons.in\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.pw.in.args=1\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.tddfpt-magnons.in.args=6\nq-e-qe-7.6/test-suite/tddfpt_magnons_fe/benchmark.out.git.inp=Fe.tddfpt_pp_magnons.in.args=7\nq-e-qe-7.6/test-suite/testcode/\nq-e-qe-7.6/test-suite/testcode/LICENSE\nq-e-qe-7.6/test-suite/testcode/README.rst\nq-e-qe-7.6/test-suite/testcode/bin/\nq-e-qe-7.6/test-suite/testcode/bin/testcode.py\nq-e-qe-7.6/test-suite/testcode/docs/\nq-e-qe-7.6/test-suite/testcode/docs/.static/\nq-e-qe-7.6/test-suite/testcode/docs/.static/dummy_file\nq-e-qe-7.6/test-suite/testcode/docs/.templates/\nq-e-qe-7.6/test-suite/testcode/docs/.templates/dummy_file\nq-e-qe-7.6/test-suite/testcode/docs/Makefile\nq-e-qe-7.6/test-suite/testcode/docs/conf.py\nq-e-qe-7.6/test-suite/testcode/docs/configuration_files.rst\nq-e-qe-7.6/test-suite/testcode/docs/index.rst\nq-e-qe-7.6/test-suite/testcode/docs/installation.rst\nq-e-qe-7.6/test-suite/testcode/docs/jobconfig.rst\nq-e-qe-7.6/test-suite/testcode/docs/testcode.py.rst\nq-e-qe-7.6/test-suite/testcode/docs/userconfig.rst\nq-e-qe-7.6/test-suite/testcode/docs/verification.rst\nq-e-qe-7.6/test-suite/testcode/lib/\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/__init__.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/_functools_dummy.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/ansi.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/compatibility.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/config.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/dir_lock.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/exceptions.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/queues.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/util.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/validation.py\nq-e-qe-7.6/test-suite/testcode/lib/testcode2/vcs.py\nq-e-qe-7.6/test-suite/userconfig.tmp\nq-e-qe-7.6/test-suite/validate_xsd_pw.py\nq-e-qe-7.6/test-suite/xsd_pw/\nq-e-qe-7.6/test-suite/xsd_pw/WaterP1_0_scf_0.in\nq-e-qe-7.6/test-suite/zg_conf/\nq-e-qe-7.6/test-suite/zg_conf/benchmark.out.git.inp=zg.in.args=0\nq-e-qe-7.6/test-suite/zg_conf/si.10_10_10.fc\nq-e-qe-7.6/test-suite/zg_conf/zg.in\nq-e-qe-7.6/upflib/\nq-e-qe-7.6/upflib/CMakeLists.txt\nq-e-qe-7.6/upflib/Makefile\nq-e-qe-7.6/upflib/README.md\nq-e-qe-7.6/upflib/TODO_upflib.md\nq-e-qe-7.6/upflib/atom.f90\nq-e-qe-7.6/upflib/atomic_number.f90\nq-e-qe-7.6/upflib/atwfc_mod.f90\nq-e-qe-7.6/upflib/beta_mod.f90\nq-e-qe-7.6/upflib/casino2upf.f90\nq-e-qe-7.6/upflib/casino_pp.f90\nq-e-qe-7.6/upflib/dom.f90\nq-e-qe-7.6/upflib/dqvan2.f90\nq-e-qe-7.6/upflib/dylmr2.f90\nq-e-qe-7.6/upflib/fixfiles.py\nq-e-qe-7.6/upflib/gen_us_dj.f90\nq-e-qe-7.6/upflib/gen_us_dy.f90\nq-e-qe-7.6/upflib/gth.f90\nq-e-qe-7.6/upflib/hgh2qe.f90\nq-e-qe-7.6/upflib/init_us_0.f90\nq-e-qe-7.6/upflib/init_us_1.f90\nq-e-qe-7.6/upflib/init_us_2_acc.f90\nq-e-qe-7.6/upflib/init_us_b0.f90\nq-e-qe-7.6/upflib/paw_variables.f90\nq-e-qe-7.6/upflib/pseudo_types.f90\nq-e-qe-7.6/upflib/qrad_mod.f90\nq-e-qe-7.6/upflib/qvan2.f90\nq-e-qe-7.6/upflib/radial_grids.f90\nq-e-qe-7.6/upflib/read_cpmd.f90\nq-e-qe-7.6/upflib/read_fhi.f90\nq-e-qe-7.6/upflib/read_ncpp.f90\nq-e-qe-7.6/upflib/read_ps.f90\nq-e-qe-7.6/upflib/read_psml.f90\nq-e-qe-7.6/upflib/read_upf_new.f90\nq-e-qe-7.6/upflib/read_upf_v1.f90\nq-e-qe-7.6/upflib/read_uspp.f90\nq-e-qe-7.6/upflib/rhoat_mod.f90\nq-e-qe-7.6/upflib/rhoc_mod.f90\nq-e-qe-7.6/upflib/simpsn.f90\nq-e-qe-7.6/upflib/sph_bes.f90\nq-e-qe-7.6/upflib/sph_ind.f90\nq-e-qe-7.6/upflib/spinor.f90\nq-e-qe-7.6/upflib/splinelib.f90\nq-e-qe-7.6/upflib/upf_auxtools.f90\nq-e-qe-7.6/upflib/upf_const.f90\nq-e-qe-7.6/upflib/upf_error.f90\nq-e-qe-7.6/upflib/upf_invmat.f90\nq-e-qe-7.6/upflib/upf_io.f90\nq-e-qe-7.6/upflib/upf_ions.f90\nq-e-qe-7.6/upflib/upf_kinds.f90\nq-e-qe-7.6/upflib/upf_kinds.h\nq-e-qe-7.6/upflib/upf_parallel_include.f90\nq-e-qe-7.6/upflib/upf_params.f90\nq-e-qe-7.6/upflib/upf_spinorb.f90\nq-e-qe-7.6/upflib/upf_to_internal.f90\nq-e-qe-7.6/upflib/upf_utils.f90\nq-e-qe-7.6/upflib/upfconv.f90\nq-e-qe-7.6/upflib/uspp.f90\nq-e-qe-7.6/upflib/uspp_param.f90\nq-e-qe-7.6/upflib/virtual_v2.f90\nq-e-qe-7.6/upflib/vloc_mod.f90\nq-e-qe-7.6/upflib/write_upf_new.f90\nq-e-qe-7.6/upflib/wxml.f90\nq-e-qe-7.6/upflib/xmltools.f90\nq-e-qe-7.6/upflib/ylmr2.f90\nq-e-qe-7.6/upflib/ylmr2_gpu.f90\n/kaggle/working/q-e-qe-7.6\n","output_type":"stream"}],"execution_count":2},{"cell_type":"markdown","source":"Here, nvfortran is a requirement otherwise the code cannot work. Use cuda 12.3 or above (use versions which give direct tarball over the newer 13.0+ interactive installer as it does not work).","metadata":{}},{"cell_type":"code","source":"%cd /kaggle/working\n!wget https://developer.download.nvidia.com/hpc-sdk/24.11/nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\n!tar xpzf nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\n!rm -rf nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T04:12:14.374316Z","iopub.execute_input":"2026-08-17T04:12:14.374724Z","iopub.status.idle":"2026-08-17T04:14:37.777372Z","shell.execute_reply.started":"2026-08-17T04:12:14.374677Z","shell.execute_reply":"2026-08-17T04:14:37.776539Z"}},"outputs":[{"name":"stdout","text":"/kaggle/working\n--2026-08-17 04:12:14-- https://developer.download.nvidia.com/hpc-sdk/24.11/nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\nResolving developer.download.nvidia.com (developer.download.nvidia.com)... 23.59.88.195, 23.59.88.207\nConnecting to developer.download.nvidia.com (developer.download.nvidia.com)|23.59.88.195|:443... connected.\nHTTP request sent, awaiting response... 200 OK\nLength: 6131381079 (5.7G) [application/x-tar]\nSaving to: ‘nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz’\n\nnvhpc_2024_2411_Lin 100%[===================>] 5.71G 245MB/s in 26s \n\n2026-08-17 04:12:40 (228 MB/s) - ‘nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz’ saved [6131381079/6131381079]\n\n","output_type":"stream"}],"execution_count":3},{"cell_type":"markdown","source":"## 3. Setting environment for running ","metadata":{}},{"cell_type":"markdown","source":"This part is extremely crucial, **do not** skip. Without this step, the whole process is not applicable.","metadata":{}},{"cell_type":"code","source":"import os\n\nbase = \"/kaggle/working/nvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11\" # Change path to current path where the nvhpc folder is\n\nos.environ[\"PATH\"] = base + \"/compilers/bin:\" + os.environ[\"PATH\"]\nos.environ[\"LD_LIBRARY_PATH\"] = base + \"/compilers/lib:\" + os.environ.get(\"LD_LIBRARY_PATH\", \"\")\nprint(\"Environment set.\")\n!nvfortran --version\nprint(\" \")\nprint(\"Check for error\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T04:14:37.779209Z","iopub.execute_input":"2026-08-17T04:14:37.779796Z","iopub.status.idle":"2026-08-17T04:14:38.611076Z","shell.execute_reply.started":"2026-08-17T04:14:37.779765Z","shell.execute_reply":"2026-08-17T04:14:38.610271Z"}},"outputs":[{"name":"stdout","text":"Environment set.\n\nnvfortran 24.11-0 64-bit target on Linux -tp skylake-avx512 \nNVIDIA Compilers and Tools\nCopyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.\n\nnvfortran 24.11-0 64-bit target on x86-64 Linux -tp skylake-avx512 \nNVIDIA Compilers and Tools\nCopyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.\n \nCheck for error\n","output_type":"stream"}],"execution_count":4},{"cell_type":"markdown","source":"## 4. Set config ","metadata":{}},{"cell_type":"markdown","source":"Ensure to not tinker with the config unless **absolutely needed**. **Do not modify.**","metadata":{}},{"cell_type":"code","source":"%cd /kaggle/working/q-e-qe-7.6 \n# Change path as per need\n!export LIBXC_LIBS=\"-L/usr/lib/x86_64-linux-gnu -lxc -lxcf03\"\n!export LIBXC_CFLAGS=\"-I/usr/include\"\n!./configure \\\n FC=nvfortran \\\n F90=nvfortran \\\n F77=nvfortran \\\n MPIF90=nvfortran \\\n CC=nvc \\\n CXX=nvc++ \\\n LD=nvfortran \\\n --with-cuda=yes \\\n --with-cuda-runtime=12.6 \\\n --with-cuda-cc=60 \\\n --with-scalapack=no","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T04:14:38.612382Z","iopub.execute_input":"2026-08-17T04:14:38.612756Z","iopub.status.idle":"2026-08-17T04:14:47.526601Z","shell.execute_reply.started":"2026-08-17T04:14:38.612726Z","shell.execute_reply":"2026-08-17T04:14:47.525847Z"}},"outputs":[{"name":"stdout","text":"/kaggle/working/q-e-qe-7.6\nin-source build\nchecking build system type... x86_64-pc-linux-gnu\nchecking ARCH... x86_64\nchecking setting AR... ... ar\nchecking setting ARFLAGS... ... ruv\nconfigure: WARNING: --with-cuda is obsolete, use --with-gpu=cuda instead\nchecking whether the Fortran compiler works... yes\nchecking for Fortran compiler default output file name... a.out\nchecking for suffix of executables... \nchecking whether we are cross compiling... no\nchecking for suffix of object files... o\nchecking whether we are using the GNU Fortran compiler... no\nchecking whether nvfortran accepts -g... yes\nchecking for Fortran flag to compile .f90 files... none\nchecking for nvfortran... nvfortran\nchecking whether we are using the GNU Fortran compiler... no\nchecking whether nvfortran accepts -g... yes\nchecking version of nvfortran... nvfortran 24.11-0\nconfigure: WARNING: Check whether user-supplied F90 is consistent with MPIF90 !!! \nsetting F90... nvfortran\nsetting MPIF90... nvfortran\nchecking whether we are using the GNU C compiler... yes\nchecking whether nvc accepts -g... yes\nchecking for nvc option to accept ISO C89... none needed\nsetting CC... nvc\nsetting CFLAGS... -O3\nusing F90... nvfortran\nsetting FFLAGS... -fast\nsetting F90FLAGS... -fast -Mcache_align -Mpreprocess -Mlarge_arrays\nsetting FFLAGS_NOOPT... -O0\nsetting FFLAGS_NOMAIN... -Mnomain\nsetting CPP... cpp\nsetting CPPFLAGS... -P -traditional -Uvector\nsetting LD... nvfortran\nsetting LDFLAGS...\nchecking whether Fortran compiler accepts -cuda -gpu=cuda12.6... yes\nchecking whether make sets $(MAKE)... yes\nchecking whether Fortran files must be preprocessed... no\nchecking for library containing dgemm... -lmkl_intel_lp64\nsetting BLAS_LIBS... -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nchecking FFT... \nchecking MASS... \nchecking for library containing mpi_init... no\nchecking ELPA... \nchecking for Environ... not used\nchecking if legacy plugins are enabled ... no\nchecking for ranlib... ranlib\nchecking for wget... wget -O\nsetting WGET... wget -O\nchecking for git... git\nsetting DFLAGS... -D__PGI -D__CUDA -D__DFTI\nsetting IFLAGS... -I. -I$(TOPDIR)/include -I/opt/intel/mkl/include\nconfigure: creating ./config.status\nconfig.status: creating install/make_lapack.inc\nconfig.status: creating make.inc\nconfig.status: creating configure.msg\nconfig.status: creating install/make_wannier90.inc\n/kaggle/working/q-e-qe-7.6/install/makedeps.sh: no arguments, compute all dependencies\ndirectory KCW/PP : okk ok okk okI : ok\nall dependencies updated successfully\n--------------------------------------------------------------------\nESPRESSO can take advantage of several optimized numerical libraries\n(essl, fftw, mkl...). This configure script attempts to find them,\nbut may fail if they have been installed in non-standard locations.\nIf a required library is not found, the local copy will be compiled.\n\nThe following libraries have been found:\n BLAS_LIBS= -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\n LAPACK_LIBS=\n FFT_LIBS=\n \n \n\nPlease check if this is what you expect.\n\nIf any libraries are missing, you may specify a list of directories\nto search and retry, as follows:\n ./configure LIBDIRS=\"list of directories, separated by spaces\"\n\nParallel environment not detected \\(is this a parallel machine?\\).\\\nConfigured for compilation of serial executables.\n\nFor more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).\n--------------------------------------------------------------------\nconfigure: success\n","output_type":"stream"}],"execution_count":5},{"cell_type":"markdown","source":"If final output shows configure: success, continue. Otherwise, search for documentation or use AI to help troubleshoot.","metadata":{}},{"cell_type":"code","source":"from pathlib import Path\nimport re\n\npath = Path(\"/kaggle/working/q-e-qe-7.6/make.inc\")\ntext = path.read_text()\n\nnew_lines = []\nfor line in text.splitlines():\n if line.strip().startswith(\"DFLAGS\"):\n line = re.sub(r\"-D__DFTI\\b\", \"\", line)\n line = re.sub(r\"-D__FFTW3\\b\", \"\", line)\n line = re.sub(r\"-D__FFTW\\b\", \"\", line)\n line = line.rstrip() + \" -D__FFTW\"\n new_lines.append(line)\n\npath.write_text(\"\\n\".join(new_lines) + \"\\n\")\n\nprint(\"Updated DFLAGS:\")\nfor line in new_lines:\n if line.strip().startswith(\"DFLAGS\"):\n print(line)","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T04:14:47.528079Z","iopub.execute_input":"2026-08-17T04:14:47.528402Z","iopub.status.idle":"2026-08-17T04:14:47.536842Z","shell.execute_reply.started":"2026-08-17T04:14:47.528356Z","shell.execute_reply":"2026-08-17T04:14:47.536119Z"}},"outputs":[{"name":"stdout","text":"Updated DFLAGS:\nDFLAGS = -D__PGI -D__CUDA -D__FFTW\n","output_type":"stream"}],"execution_count":6},{"cell_type":"markdown","source":"## 5. Compile and Run","metadata":{}},{"cell_type":"markdown","source":"The below code may take a few minutes to run. **Do not** interrupt execution. In case of errors saying certain parts are not there/broken, remove the comment on the cell below the given one. Then run the below cell and re-comment.","metadata":{}},{"cell_type":"code","source":"!cd /kaggle/working/q-e-qe-7.6/bin\n!make pw -j4 2>&1\n!make ph -j4 2>&1\n!make pp -j4 2>&1","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T04:14:47.53784Z","iopub.execute_input":"2026-08-17T04:14:47.53823Z","iopub.status.idle":"2026-08-17T04:24:26.432721Z","shell.execute_reply.started":"2026-08-17T04:14:47.538204Z","shell.execute_reply":"2026-08-17T04:24:26.431971Z"}},"outputs":[{"name":"stdout","text":"/bin/bash: line 1: cd: /kaggle/working/q-e-qe-7.6/bin: No such file or directory\ntest -d bin || mkdir bin\n( cd UtilXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libdevx || exit 1 )\n( cd FFTXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libmbd || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c parallel_include.f90 -o parallel_include.o\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\n( cd src ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\ninitializing external/devxlib submodule ...\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_param.f90 -o fft_param.o\ninitializing external/mbd submodule ...\n\u001b[33mhint: Using 'master' as the name for the initial branch. This default branch name\u001b[m\n\u001b[33mhint: is subject to change. To configure the initial branch name to use in all\u001b[m\n\u001b[33mhint: of your new repositories, which will suppress this warning, call:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit config --global init.defaultBranch \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: Names commonly chosen instead of 'master' are 'main', 'trunk' and\u001b[m\n\u001b[33mhint: 'development'. The just-created branch can be renamed via this command:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit branch -m \u001b[m\nInitialized empty Git repository in /kaggle/working/q-e-qe-7.6/external/mbd/.git/\n\u001b[33mhint: Using 'master' as the name for the initial branch. This default branch name\u001b[m\n\u001b[33mhint: is subject to change. To configure the initial branch name to use in all\u001b[m\n\u001b[33mhint: of your new repositories, which will suppress this warning, call:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit config --global init.defaultBranch \u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: Names commonly chosen instead of 'master' are 'main', 'trunk' and\u001b[m\n\u001b[33mhint: 'development'. The just-created branch can be renamed via this command:\u001b[m\n\u001b[33mhint: \u001b[m\n\u001b[33mhint: \tgit branch -m \u001b[m\nInitialized empty Git repository in /kaggle/working/q-e-qe-7.6/external/devxlib/.git/\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fftw_interfaces.f90 -o fftw_interfaces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c nvtx_wrapper.f90 -o nvtx_wrapper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.FFTW3.f90 -o fft_scalar.FFTW3.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.FFTW3.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.SX6.f90 -o fft_scalar.SX6.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.SX6.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.cuFFT.f90 -o fft_scalar.cuFFT.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c cptimer.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c copy.c\nremote: Enumerating objects: 84, done.\u001b[K\nremote: Counting objects: 100% (84/84), done.\u001b[K\nremote: Compressing objects: 100% (82/82), done.\u001b[K\nremote: Total 84 (delta 3), reused 19 (delta 0), pack-reused 0 (from 0)\u001b[K\nUnpacking objects: 100% (84/84), 112.48 KiB | 2.34 MiB/s, done.\nFrom https://github.com/libmbd/libmbd\n * branch 89a3cc199c0a200c9f0f688c3229ef6b9a8d63bd -> FETCH_HEAD\nSwitched to a new branch 'recorded_HEAD'\ntouch git_mbd\nif test ! -f /kaggle/working/q-e-qe-7.6/MBD/make_mbd; then \\\n mkdir /kaggle/working/q-e-qe-7.6/MBD; \\\n cd /kaggle/working/q-e-qe-7.6/external/mbd/src; \\\n export FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include \"; \\\n (make -f ../../mbd.make && touch /kaggle/working/q-e-qe-7.6/MBD/make_mbd); \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/MBD; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/external/mbd/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_constants.f90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c c_mkdir.c\nsed -e 's/@PROJECT_VERSION_MAJOR@/0/' mbd_version.f90.in > mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_MINOR@/13/' mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_PATCH@/0/' mbd_version.f90\nsed -i -e 's/@PROJECT_VERSION_SUFFIX@/0/' mbd_version.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_gradients.f90\nremote: Enumerating objects: 117, done.\u001b[K\nremote: Counting objects: 100% (117/117), done.\u001b[K\nremote: Compressing objects: 100% (104/104), done.\u001b[K\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c device_helper.f90 -o device_helper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_defaults.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_linalg.F90\nremote: Total 117 (delta 16), reused 68 (delta 8), pack-reused 0 (from 0)\u001b[K\nReceiving objects: 100% (117/117), 5.07 MiB | 22.98 MiB/s, done.\nResolving deltas: 100% (16/16), done.\nFrom https://gitlab.com/max-centre/components/devicexlib\n * branch a6b89ef77b1ceda48e967921f1f5488d2df9226d -> FETCH_HEAD\nSwitched to a new branch 'recorded_HEAD'\ntouch git_devx\nif test ! -f /kaggle/working/q-e-qe-7.6/devxlib/make_devx; then \\\nmkdir -p /kaggle/working/q-e-qe-7.6/devxlib/src ; \\\ncd /kaggle/working/q-e-qe-7.6/external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.6/make.inc ../; \\\n( make all && touch /kaggle/working/q-e-qe-7.6/devxlib/make_devx ) ; \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/devxlib/src/ ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/external/devxlib/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_auxfunc_mod.f90 -o device_auxfunc_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_auxfunc_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_smallbox.f90 -o fft_smallbox.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_version.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_fbuff.f90 -o device_fbuff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_utils.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw_sp.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_damping.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_formulas.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_lapack.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_vdw_param.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_matrix.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_geom.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_dipole.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_memcpy_mod.f90 -o device_memcpy_mod.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_memcpy_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_memcpy.f90 -o device_memcpy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_ts.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c eval_infix.c\n\u001b[01m\u001b[0m\u001b[01m\"eval_infix.c\", line 431\u001b[0m: \u001b[01;35mwarning\u001b[0m: statement is unreachable [code_is_unreachable]\n return EOL;\n ^\n\n\u001b[01;36m\u001b[0m\u001b[01;36mRemark\u001b[0m: individual warnings can be suppressed with \"--diag_suppress \"\n\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_coulomb.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c find_free_unit.f90 -o find_free_unit.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fletcher32.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c md5.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c md5_from_file.c\n\u001b[01m\u001b[0m\u001b[01m\"md5_from_file.c\", line 79\u001b[0m: \u001b[01;35mwarning\u001b[0m: parameter \u001b[01m\"err\"\u001b[0m was set but never used [set_but_not_used]\n void get_md5(const char *file, char *md5, int err)\n ^\n\n\u001b[01;36m\u001b[0m\u001b[01;36mRemark\u001b[0m: individual warnings can be suppressed with \"--diag_suppress \"\n\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c memstat.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c memusage.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mem_counter.f90 -o mem_counter.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c ptrace.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c util_param.f90 -o util_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c clib_wrappers.f90 -o clib_wrappers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c clocks_handler.f90 -o clocks_handler.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_density.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_hamiltonian.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mp.f90 -o mp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_rpa.F90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_scs.f90\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd_methods.F90\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fftw_dp.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mbd.F90\nar -r libmbd.a mbd.o mbd_constants.o mbd_coulomb.o mbd_damping.o mbd_defaults.o mbd_density.o mbd_dipole.o mbd_formulas.o mbd_geom.o mbd_gradients.o mbd_hamiltonian.o mbd_lapack.o mbd_linalg.o mbd_matrix.o mbd_methods.o mbd_rpa.o mbd_scs.o mbd_ts.o mbd_utils.o mbd_version.o mbd_vdw_param.o\nar: creating libmbd.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/external/mbd/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c data_buffer.f90 -o data_buffer.o\n( cd XClib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/XClib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xclib_utils_and_para.f90 -o xclib_utils_and_para.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_kind.f90 -o qe_kind.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c pbecor.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c beefun.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c fletcher32_mod.f90 -o fletcher32_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mp_base.f90 -o mp_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xclib_error.f90 -o xclib_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_constants.f90 -o qe_constants.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c dft_setting_params.f90 -o dft_setting_params.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_corr_lda_lsda.f90 -o qe_funct_corr_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mp_base_gpu.f90 -o mp_base_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_exch_lda_lsda.f90 -o qe_funct_exch_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_corr_gga.f90 -o qe_funct_corr_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_auxfunc.f90 -o device_auxfunc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_exch_gga.f90 -o qe_funct_exch_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c print_mem.f90 -o print_mem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c thread_util.f90 -o thread_util.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c divide.f90 -o divide.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c error_handler.f90 -o error_handler.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_error.f90 -o fft_error.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c timer.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c fft_stick.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c timer_mod.f90 -o timer_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c device_fbuff_mod.f90 -o device_fbuff_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_support.f90 -o fft_support.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (device_fbuff_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c deviceXlib_mod.f90 -o deviceXlib_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c mp_bands_util.f90 -o mp_bands_util.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c stick_base.f90 -o stick_base.o\nNVFORTRAN-W-0921-Redefinition of symbol __CUDA (deviceXlib_mod.f90: 13)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_funct_mgga.f90 -o qe_funct_mgga.o\nar ruv libdevXlib.a deviceXlib_mod.o device_memcpy.o device_memcpy_mod.o device_auxfunc.o device_auxfunc_mod.o device_fbuff.o device_fbuff_mod.o timer.o timer_mod.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdevXlib.a\na - deviceXlib_mod.o\na - device_memcpy.o\na - device_memcpy_mod.o\na - device_auxfunc.o\na - device_auxfunc_mod.o\na - device_fbuff.o\na - device_fbuff_mod.o\na - timer.o\na - timer_mod.o\nranlib libdevXlib.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/external/devxlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.DFTI.f90 -o fft_scalar.DFTI.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.ESSL.f90 -o fft_scalar.ESSL.o\nNVFORTRAN-W-0006-Input file empty (fft_scalar.ESSL.f90)\nNVFORTRAN/x86-64 Linux 24.11-0: compilation completed with warnings\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_beef_interface.f90 -o xc_beef_interface.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c export_gstart_2_solvers.f90 -o export_gstart_2_solvers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_lda_lsda.f90 -o qe_drivers_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I. -c set_mpi_comm_4_solvers.f90 -o set_mpi_comm_4_solvers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_gga.f90 -o qe_drivers_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.FFTW.f90 -o fft_scalar.FFTW.o\nar ruv libutil.a clib_wrappers.o clocks_handler.o cptimer.o copy.o c_mkdir.o device_helper.o divide.o data_buffer.o eval_infix.o error_handler.o export_gstart_2_solvers.o find_free_unit.o fletcher32_mod.o fletcher32.o md5.o md5_from_file.o memstat.o memusage.o mem_counter.o mp.o mp_base.o mp_base_gpu.o mp_bands_util.o parallel_include.o print_mem.o ptrace.o set_mpi_comm_4_solvers.o util_param.o thread_util.o nvtx_wrapper.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libutil.a\na - clib_wrappers.o\na - clocks_handler.o\na - cptimer.o\na - copy.o\na - c_mkdir.o\na - device_helper.o\na - divide.o\na - data_buffer.o\na - eval_infix.o\na - error_handler.o\na - export_gstart_2_solvers.o\na - find_free_unit.o\na - fletcher32_mod.o\na - fletcher32.o\na - md5.o\na - md5_from_file.o\na - memstat.o\na - memusage.o\na - mem_counter.o\na - mp.o\na - mp_base.o\na - mp_base_gpu.o\na - mp_bands_util.o\na - parallel_include.o\na - print_mem.o\na - ptrace.o\na - set_mpi_comm_4_solvers.o\na - util_param.o\na - thread_util.o\na - nvtx_wrapper.o\nranlib libutil.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_lda_lsda.f90 -o xc_wrapper_lda_lsda.o\n( cd LAXlib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/LAXlib'\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib.h -o laxlib.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_hi.h -o laxlib_hi.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_kinds.h -o laxlib_kinds.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_low.h -o laxlib_low.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_mid.h -o laxlib_mid.fh\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include laxlib_param.h -o laxlib_param.fh\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_types.f90 -o la_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_types.f90 -o fft_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_param.f90 -o la_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_module.f90 -o la_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scalar.f90 -o fft_scalar.o\n( cd upflib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/upflib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_kinds.f90 -o upf_kinds.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_io.f90 -o upf_io.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_params.f90 -o upf_params.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_utils.f90 -o upf_utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_invmat.f90 -o upf_invmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c paw_variables.f90 -o paw_variables.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atomic_number.f90 -o atomic_number.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dylmr2.f90 -o dylmr2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c dspev_drv.f90 -o dspev_drv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c splinelib.f90 -o splinelib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_dft_list.f90 -o qe_dft_list.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_d_lda_lsda.f90 -o qe_drivers_d_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c xmltools.f90 -o xmltools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c mp_diag.f90 -o mp_diag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c zhpev_drv.f90 -o zhpev_drv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c scatter_mod.f90 -o scatter_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c spinor.f90 -o spinor.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c sph_ind.f90 -o sph_ind.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c simpsn.f90 -o simpsn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c rdiaghg.f90 -o rdiaghg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_d_gga.f90 -o qe_drivers_d_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_parallel_include.f90 -o upf_parallel_include.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c ylmr2_gpu.f90 -o ylmr2_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scatter_2d.f90 -o fft_scatter_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_buffers.f90 -o fft_buffers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c cdiagh.f90 -o cdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c qe_drivers_mgga.f90 -o qe_drivers_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c rdiagh.f90 -o rdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dom.f90 -o dom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c ptoolkit.f90 -o ptoolkit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scatter_2d_gpu.f90 -o fft_scatter_2d_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_d_gga.f90 -o xc_wrapper_d_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c wxml.f90 -o wxml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_d_lda_lsda.f90 -o xc_wrapper_d_lda_lsda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_ggen.f90 -o fft_ggen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_gga.f90 -o xc_wrapper_gga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_const.f90 -o upf_const.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c pseudo_types.f90 -o pseudo_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c sph_bes.f90 -o sph_bes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_wrapper_mgga.f90 -o xc_wrapper_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scatter.f90 -o fft_scatter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c dft_setting_routines.f90 -o dft_setting_routines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_auxtools.f90 -o upf_auxtools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_error.f90 -o upf_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_parallel_2d.f90 -o fft_parallel_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c write_upf_new.f90 -o write_upf_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/upflib/ -c xc_lib.f90 -o xc_lib.o\nar ruv xc_lib.a xclib_utils_and_para.o xclib_error.o qe_kind.o qe_constants.o dft_setting_params.o dft_setting_routines.o qe_dft_list.o qe_funct_corr_lda_lsda.o qe_funct_exch_lda_lsda.o qe_funct_corr_gga.o qe_funct_exch_gga.o qe_funct_mgga.o xc_beef_interface.o qe_drivers_lda_lsda.o qe_drivers_d_lda_lsda.o qe_drivers_gga.o qe_drivers_d_gga.o qe_drivers_mgga.o xc_wrapper_d_gga.o xc_wrapper_d_lda_lsda.o xc_wrapper_gga.o xc_wrapper_lda_lsda.o xc_wrapper_mgga.o xc_lib.o pbecor.o beefun.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating xc_lib.a\na - xclib_utils_and_para.o\na - xclib_error.o\na - qe_kind.o\na - qe_constants.o\na - dft_setting_params.o\na - dft_setting_routines.o\na - qe_dft_list.o\na - qe_funct_corr_lda_lsda.o\na - qe_funct_exch_lda_lsda.o\na - qe_funct_corr_gga.o\na - qe_funct_exch_gga.o\na - qe_funct_mgga.o\na - xc_beef_interface.o\na - qe_drivers_lda_lsda.o\na - qe_drivers_d_lda_lsda.o\na - qe_drivers_gga.o\na - qe_drivers_d_gga.o\na - qe_drivers_mgga.o\na - xc_wrapper_d_gga.o\na - xc_wrapper_d_lda_lsda.o\na - xc_wrapper_gga.o\na - xc_wrapper_lda_lsda.o\na - xc_wrapper_mgga.o\na - xc_lib.o\na - pbecor.o\na - beefun.o\nranlib xc_lib.a\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/XClib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c transto.f90 -o transto.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c ylmr2.f90 -o ylmr2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c virtual_v2.f90 -o virtual_v2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_smallbox_type.f90 -o fft_smallbox_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c casino_pp.f90 -o casino_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c tg_gather.f90 -o tg_gather.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_helper_subroutines.f90 -o fft_helper_subroutines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c distools.f90 -o distools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_error.f90 -o la_error.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c la_helper.f90 -o la_helper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c cdiaghg.f90 -o cdiaghg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c radial_grids.f90 -o radial_grids.o\nar ruv libqela.a la_types.o la_error.o la_module.o la_helper.o cdiaghg.o rdiaghg.o cdiagh.o rdiagh.o dspev_drv.o ptoolkit.o transto.o distools.o zhpev_drv.o mp_diag.o la_param.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqela.a\na - la_types.o\na - la_error.o\na - la_module.o\na - la_helper.o\na - cdiaghg.o\na - rdiaghg.o\na - cdiagh.o\na - rdiagh.o\na - dspev_drv.o\na - ptoolkit.o\na - transto.o\na - distools.o\na - zhpev_drv.o\na - mp_diag.o\na - la_param.o\nranlib libqela.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/LAXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_scatter_gpu.f90 -o fft_scatter_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_interfaces.f90 -o fft_interfaces.o\n( cd KS_Solvers ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c david_rci.f90 -o david_rci.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c uspp_param.f90 -o uspp_param.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_interpolate.f90 -o fft_interpolate.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gth.f90 -o gth.o\nar ruv libdavid_rci.a david_rci.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdavid_rci.a\na - david_rci.o\nranlib libdavid_rci.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c cegterg.f90 -o cegterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c regterg.f90 -o regterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_parallel.f90 -o fft_parallel.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_spinorb.f90 -o upf_spinorb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_cpmd.f90 -o read_cpmd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_fhi.f90 -o read_fhi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -c fft_fwinv.f90 -o fft_fwinv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcegterg.f90 -o pcegterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pregterg.f90 -o pregterg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_ncpp.f90 -o read_ncpp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_psml.f90 -o read_psml.o\nar ruv libqefft.a scatter_mod.o fft_scatter_2d.o fft_scatter_gpu.o fft_scatter_2d_gpu.o fft_ggen.o fft_fwinv.o fft_scalar.o fft_scalar.DFTI.o fft_scalar.ESSL.o fft_scalar.FFTW.o fft_scatter.o fft_scalar.cuFFT.o fftw_interfaces.o fft_scalar.FFTW3.o fft_scalar.SX6.o fft_parallel.o fft_parallel_2d.o fft_interfaces.o fft_interpolate.o stick_base.o fftw.o fftw_sp.o fftw_dp.o fft_smallbox.o fft_smallbox_type.o fft_support.o fft_error.o fft_stick.o fft_types.o tg_gather.o fft_helper_subroutines.o fft_param.o fft_buffers.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqefft.a\na - scatter_mod.o\na - fft_scatter_2d.o\na - fft_scatter_gpu.o\na - fft_scatter_2d_gpu.o\na - fft_ggen.o\na - fft_fwinv.o\na - fft_scalar.o\na - fft_scalar.DFTI.o\na - fft_scalar.ESSL.o\na - fft_scalar.FFTW.o\na - fft_scatter.o\na - fft_scalar.cuFFT.o\na - fftw_interfaces.o\na - fft_scalar.FFTW3.o\na - fft_scalar.SX6.o\na - fft_parallel.o\na - fft_parallel_2d.o\na - fft_interfaces.o\na - fft_interpolate.o\na - stick_base.o\na - fftw.o\na - fftw_sp.o\na - fftw_dp.o\na - fft_smallbox.o\na - fft_smallbox_type.o\na - fft_support.o\na - fft_error.o\na - fft_stick.o\na - fft_types.o\na - tg_gather.o\na - fft_helper_subroutines.o\na - fft_param.o\na - fft_buffers.o\nranlib libqefft.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_upf_new.f90 -o read_upf_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_upf_v1.f90 -o read_upf_v1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_uspp.f90 -o read_uspp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_ions.f90 -o upf_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upf_to_internal.f90 -o upf_to_internal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c upfconv.f90 -o upfconv.o\nar ruv libdavid.a cegterg.o regterg.o pcegterg.o pregterg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdavid.a\na - cegterg.o\na - regterg.o\na - pcegterg.o\na - pregterg.o\nranlib libdavid.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c ccgdiagg.f90 -o ccgdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c rcgdiagg.f90 -o rcgdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c casino2upf.f90 -o casino2upf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atom.f90 -o atom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c uspp.f90 -o uspp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_0.f90 -o init_us_0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_b0.f90 -o init_us_b0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c read_ps.f90 -o read_ps.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c atwfc_mod.f90 -o atwfc_mod.o\nar ruv libcg.a ccgdiagg.o rcgdiagg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libcg.a\na - ccgdiagg.o\na - rcgdiagg.o\nranlib libcg.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_gamma.f90 -o paro_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_gamma_new.f90 -o paro_gamma_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_k.f90 -o paro_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c paro_k_new.f90 -o paro_k_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c beta_mod.f90 -o beta_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c qrad_mod.f90 -o qrad_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c rhoat_mod.f90 -o rhoat_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcg_gamma.f90 -o pcg_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c pcg_k.f90 -o pcg_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c rhoc_mod.f90 -o rhoc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c vloc_mod.f90 -o vloc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c qvan2.f90 -o qvan2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c bpcg_gamma.f90 -o bpcg_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I. -c bpcg_k.f90 -o bpcg_k.o\nNVFORTRAN-W-0155-Constant or Parameter used in data clause - maxter (bpcg_gamma.f90: 304)\n 0 inform, 1 warnings, 0 severes, 0 fatal for bpcg_gamma\nNVFORTRAN-W-0155-Constant or Parameter used in data clause - maxter (bpcg_k.f90: 300)\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c dqvan2.f90 -o dqvan2.o\n 0 inform, 1 warnings, 0 severes, 0 fatal for bpcg_k\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gen_us_dj.f90 -o gen_us_dj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c gen_us_dy.f90 -o gen_us_dy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_1.f90 -o init_us_1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I../UtilXlib -I. -c init_us_2_acc.f90 -o init_us_2_acc.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o virtual_v2.x virtual_v2.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nar ruv libparo.a paro_gamma.o paro_gamma_new.o paro_k.o paro_k_new.o pcg_gamma.o pcg_k.o bpcg_gamma.o bpcg_k.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libparo.a\na - paro_gamma.o\na - paro_gamma_new.o\na - paro_k.o\na - paro_k_new.o\na - pcg_gamma.o\na - pcg_k.o\na - bpcg_gamma.o\na - bpcg_k.o\nranlib libparo.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../PPCG -I ../../UtilXlib -I. -c crmmdiagg.f90 -o crmmdiagg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../PPCG -I ../../UtilXlib -I. -c rrmmdiagg.f90 -o rrmmdiagg.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o upfconv.x upfconv.o casino_pp.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o casino2upf.x casino2upf.o casino_pp.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o -lmkl_intel_lp64 -lmkl_sequential -lmkl_core\nar ruv libupf.a atwfc_mod.o beta_mod.o qrad_mod.o rhoat_mod.o rhoc_mod.o vloc_mod.o qvan2.o dqvan2.o gen_us_dj.o gen_us_dy.o init_us_0.o init_us_b0.o init_us_1.o init_us_2_acc.o atom.o atomic_number.o dylmr2.o gth.o paw_variables.o pseudo_types.o radial_grids.o read_cpmd.o read_fhi.o read_ncpp.o read_ps.o read_psml.o read_upf_new.o read_upf_v1.o read_uspp.o spinor.o sph_ind.o sph_bes.o splinelib.o simpsn.o upf_auxtools.o upf_const.o upf_error.o upf_invmat.o upf_io.o upf_ions.o upf_kinds.o upf_params.o upf_parallel_include.o upf_spinorb.o upf_to_internal.o upf_utils.o uspp.o uspp_param.o write_upf_new.o xmltools.o ylmr2.o ylmr2_gpu.o dom.o wxml.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libupf.a\na - atwfc_mod.o\na - beta_mod.o\na - qrad_mod.o\na - rhoat_mod.o\na - rhoc_mod.o\na - vloc_mod.o\na - qvan2.o\na - dqvan2.o\na - gen_us_dj.o\na - gen_us_dy.o\na - init_us_0.o\na - init_us_b0.o\na - init_us_1.o\na - init_us_2_acc.o\na - atom.o\na - atomic_number.o\na - dylmr2.o\na - gth.o\na - paw_variables.o\na - pseudo_types.o\na - radial_grids.o\na - read_cpmd.o\na - read_fhi.o\na - read_ncpp.o\na - read_ps.o\na - read_psml.o\na - read_upf_new.o\na - read_upf_v1.o\na - read_uspp.o\na - spinor.o\na - sph_ind.o\na - sph_bes.o\na - splinelib.o\na - simpsn.o\na - upf_auxtools.o\na - upf_const.o\na - upf_error.o\na - upf_invmat.o\na - upf_io.o\na - upf_ions.o\na - upf_kinds.o\na - upf_params.o\na - upf_parallel_include.o\na - upf_spinorb.o\na - upf_to_internal.o\na - upf_utils.o\na - uspp.o\na - uspp_param.o\na - write_upf_new.o\na - xmltools.o\na - ylmr2.o\na - ylmr2_gpu.o\na - dom.o\na - wxml.o\nranlib libupf.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/upflib'\n( cd Modules ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/Modules'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c kind.f90 -o kind.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c parameters.f90 -o parameters.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c io_global.f90 -o io_global.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_bands.f90 -o mp_bands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c noncol.f90 -o noncol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c bspline.f90 -o bspline.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fft_base.f90 -o fft_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c coulomb_vcut.f90 -o coulomb_vcut.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c environ_api_stub.f90 -o environ_api_stub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_pools.f90 -o mp_pools.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qeh5_module.f90 -o qeh5_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c version.f90 -o version.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fsockets.f90 -o fsockets.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lmdif.f90 -o lmdif.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plugin_flags.f90 -o plugin_flags.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mdiis.f90 -o mdiis.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_wave.f90 -o mp_wave.o\nar ruv librmm.a crmmdiagg.o rrmmdiagg.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating librmm.a\na - crmmdiagg.o\na - rrmmdiagg.o\nranlib librmm.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_HSpsi_gamma.f90 -o rotate_HSpsi_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_HSpsi_k.f90 -o rotate_HSpsi_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_wfc_gamma.f90 -o rotate_wfc_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c open_close_input_file.f90 -o open_close_input_file.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plugin_arguments.f90 -o plugin_arguments.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plugin_variables.f90 -o plugin_variables.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wypos.f90 -o wypos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c run_info.f90 -o run_info.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_wfc_k.f90 -o rotate_wfc_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c space_group.f90 -o space_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c set_vdw_corr.f90 -o set_vdw_corr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_driver.f90 -o rotate_driver.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_types_module.f90 -o qes_types_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_xpsi_k.f90 -o rotate_xpsi_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c setqf.f90 -o setqf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c rotate_xpsi_gamma.f90 -o rotate_xpsi_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c timestep.f90 -o timestep.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c gram_schmidt_gamma.f90 -o gram_schmidt_gamma.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_bcast_module.f90 -o qes_bcast_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c gram_schmidt_k.f90 -o gram_schmidt_k.o\nar ruv libdense.a rotate_HSpsi_gamma.o rotate_HSpsi_k.o rotate_wfc_gamma.o rotate_wfc_k.o rotate_driver.o rotate_xpsi_k.o rotate_xpsi_gamma.o gram_schmidt_gamma.o gram_schmidt_k.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdense.a\na - rotate_HSpsi_gamma.o\na - rotate_HSpsi_k.o\na - rotate_wfc_gamma.o\na - rotate_wfc_k.o\na - rotate_driver.o\na - rotate_xpsi_k.o\na - rotate_xpsi_gamma.o\na - gram_schmidt_gamma.o\na - gram_schmidt_k.o\nranlib libdense.a \nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nif test -d Direct ; then \\\n ( cd Direct ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I ../../LAXlib -I ../../UtilXlib -I ../../Modules -I. -c direct_diag_k.f90 -o direct_diag_k.o\nar ruv libdirect.a direct_diag_k.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdirect.a\na - direct_diag_k.o\nranlib libdirect.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nar ruv libks_solvers.a Davidson_RCI/david_rci.o Davidson/cegterg.o Davidson/regterg.o Davidson/pcegterg.o Davidson/pregterg.o CG/ccgdiagg.o CG/rcgdiagg.o ParO/bpcg_gamma.o ParO/bpcg_k.o ParO/paro_gamma.o ParO/pcg_gamma.o ParO/paro_k.o ParO/pcg_k.o ParO/paro_gamma_new.o ParO/paro_k_new.o DENSE/rotate_HSpsi_gamma.o DENSE/rotate_HSpsi_k.o DENSE/rotate_wfc_gamma.o DENSE/rotate_wfc_k.o DENSE/rotate_driver.o DENSE/gram_schmidt_gamma.o DENSE/gram_schmidt_k.o DENSE/rotate_xpsi_gamma.o DENSE/rotate_xpsi_k.o RMM/crmmdiagg.o RMM/rrmmdiagg.o Direct/direct_diag_k.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libks_solvers.a\na - Davidson_RCI/david_rci.o\na - Davidson/cegterg.o\na - Davidson/regterg.o\na - Davidson/pcegterg.o\na - Davidson/pregterg.o\na - CG/ccgdiagg.o\na - CG/rcgdiagg.o\na - ParO/bpcg_gamma.o\na - ParO/bpcg_k.o\na - ParO/paro_gamma.o\na - ParO/pcg_gamma.o\na - ParO/paro_k.o\na - ParO/pcg_k.o\na - ParO/paro_gamma_new.o\na - ParO/paro_k_new.o\na - DENSE/rotate_HSpsi_gamma.o\na - DENSE/rotate_HSpsi_k.o\na - DENSE/rotate_wfc_gamma.o\na - DENSE/rotate_wfc_k.o\na - DENSE/rotate_driver.o\na - DENSE/gram_schmidt_gamma.o\na - DENSE/gram_schmidt_k.o\na - DENSE/rotate_xpsi_gamma.o\na - DENSE/rotate_xpsi_k.o\na - RMM/crmmdiagg.o\na - RMM/rrmmdiagg.o\na - Direct/direct_diag_k.o\nranlib libks_solvers.a\ncpp -P -traditional -Uvector -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include ks_solver_interfaces.h -o ks_solver_interfaces.fh\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_init_module.f90 -o qes_init_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_read_module.f90 -o qes_read_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_reset_module.f90 -o qes_reset_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_write_module.f90 -o qes_write_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c molecule_types.f90 -o molecule_types.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wyckoff.f90 -o wyckoff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c zvscal.f90 -o zvscal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wave_gauge.f90 -o wave_gauge.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c atom_weight.f90 -o atom_weight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c cryst_to_car.f90 -o cryst_to_car.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c expint.f90 -o expint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c generate_k_along_lines.f90 -o generate_k_along_lines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c has_xml.f90 -o has_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c inpfile.f90 -o inpfile.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c int_to_char.f90 -o int_to_char.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c linpack.f90 -o linpack.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plot_io.f90 -o plot_io.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c radial_gradients.f90 -o radial_gradients.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rgen.f90 -o rgen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c recips.f90 -o recips.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c remove_tot_torque.f90 -o remove_tot_torque.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c sort.f90 -o sort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c trimcheck.f90 -o trimcheck.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c date_and_tim.f90 -o date_and_tim.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c volume.f90 -o volume.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c deviatoric.f90 -o deviatoric.o\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c customize_signals.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c qmmm_aux.c\nnvc -O3 -D__PGI -D__CUDA -D__FFTW -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -gpu=cc60,cuda12.6 -acc -c sockets.c\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_rism.f90 -o mp_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c err_rism.f90 -o err_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvmol.f90 -o solvmol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c cryst_to_car_2d.f90 -o cryst_to_car_2d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lj_forcefield.f90 -o lj_forcefield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_swap_ax_rism.f90 -o mp_swap_ax_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c plot_rism.f90 -o plot_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rms_residual.f90 -o rms_residual.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c constants.f90 -o constants.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c control_flags.f90 -o control_flags.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c invmat.f90 -o invmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wannier_new.f90 -o wannier_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_images.f90 -o mp_images.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c recvec.f90 -o recvec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_world.f90 -o mp_world.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c parser.f90 -o parser.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c random_numbers.f90 -o random_numbers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c cell_nose.f90 -o cell_nose.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c basic_algebra_routines.f90 -o basic_algebra_routines.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c becmod.f90 -o becmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c io_files.f90 -o io_files.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c bz_form.f90 -o bz_form.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c set_signal.f90 -o set_signal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c command_line_options.f90 -o command_line_options.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c electrons_base.f90 -o electrons_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fox_init_module.f90 -o fox_init_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fft_rho.f90 -o fft_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fft_wave.f90 -o fft_wave.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c gvecw.f90 -o gvecw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_exx.f90 -o mp_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mp_global.f90 -o mp_global.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c printout_base.f90 -o printout_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c pw_dot.f90 -o pw_dot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c recvec_subs.f90 -o recvec_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c set_para_diag.f90 -o set_para_diag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c copy_order_um_from_xml.f90 -o copy_order_um_from_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wavefunctions.f90 -o wavefunctions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c ws_base.f90 -o ws_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c io_base.f90 -o io_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qes_libs_module.f90 -o qes_libs_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qexsd_input.f90 -o qexsd_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qexsd_copy.f90 -o qexsd_copy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c hdf5_qe.f90 -o hdf5_qe.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c xsf.f90 -o xsf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c random_numbers_gpu.f90 -o random_numbers_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c latgen.f90 -o latgen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wgauss.f90 -o wgauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c w0gauss.f90 -o w0gauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c w1gauss.f90 -o w1gauss.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lauefft.f90 -o lauefft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c radfft.f90 -o radfft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c molecule_const.f90 -o molecule_const.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c suscept_g0.f90 -o suscept_g0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c cell_base.f90 -o cell_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c input_parameters.f90 -o input_parameters.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c autopilot.f90 -o autopilot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c bfgs_module.f90 -o bfgs_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c check_stop.f90 -o check_stop.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c compute_dipole.f90 -o compute_dipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c environment.f90 -o environment.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c fd_gradient.f90 -o fd_gradient.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c xc_rVV10.f90 -o xc_rVV10.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c xc_vdW_DF.f90 -o xc_vdW_DF.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c generate_function.f90 -o generate_function.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c gradutils.f90 -o gradutils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_namelists.f90 -o read_namelists.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c wannier_gw.f90 -o wannier_gw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c recvec_3drism.f90 -o recvec_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c xml_io_rism.f90 -o xml_io_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_mol.f90 -o read_mol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lauefft_subs.f90 -o lauefft_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvavg.f90 -o solvavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c scale_fft_3drism.f90 -o scale_fft_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c scale_fft_lauerism.f90 -o scale_fft_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c additional_kpoints.f90 -o additional_kpoints.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c atomic_wfc_mod.f90 -o atomic_wfc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c ions_base.f90 -o ions_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c funct.f90 -o funct.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_cards.f90 -o read_cards.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c allocate_fft_3drism.f90 -o allocate_fft_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rism.f90 -o rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c data_structure_3drism.f90 -o data_structure_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_solv.f90 -o read_solv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c ions_nose.f90 -o ions_nose.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c constraints_module.f90 -o constraints_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c dist.f90 -o dist.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c environ_base_module.f90 -o environ_base_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c extffield.f90 -o extffield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c makov_payne.f90 -o makov_payne.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mm_dispersion.f90 -o mm_dispersion.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qmmm.f90 -o qmmm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_input.f90 -o read_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c read_pseudo.f90 -o read_pseudo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c tsvdw.f90 -o tsvdw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qexsd_init.f90 -o qexsd_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c chempot.f90 -o chempot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c chempot_lauerism.f90 -o chempot_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c closure.f90 -o closure.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c corrdipole_laue.f90 -o corrdipole_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c correctat0_vv.f90 -o correctat0_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c corrgxy0_laue.f90 -o corrgxy0_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c do_1drism.f90 -o do_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c do_3drism.f90 -o do_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c do_lauerism.f90 -o do_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_1drism.f90 -o eqn_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_3drism.f90 -o eqn_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauedipole.f90 -o eqn_lauedipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauegxy0.f90 -o eqn_lauegxy0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauelong.f90 -o eqn_lauelong.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauerism.f90 -o eqn_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_laueshort.f90 -o eqn_laueshort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c eqn_lauevoid.f90 -o eqn_lauevoid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c guess_3drism.f90 -o guess_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c init_1drism.f90 -o init_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c io_rism_xml.f90 -o io_rism_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solute.f90 -o solute.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c molecorr_vv.f90 -o molecorr_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c molebridge_vv.f90 -o molebridge_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c normalize_lauerism.f90 -o normalize_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c potential_3drism.f90 -o potential_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c potential_esm.f90 -o potential_esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c potential_vv.f90 -o potential_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_chempot_3drism.f90 -o print_chempot_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_chempot_lauerism.f90 -o print_chempot_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_chempot_vv.f90 -o print_chempot_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_corr_vv.f90 -o print_corr_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_3drism.f90 -o solvation_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_force.f90 -o solvation_force.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_lauerism.f90 -o solvation_lauerism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_pbc.f90 -o solvation_pbc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_stress.f90 -o solvation_stress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c suscept_laue.f90 -o suscept_laue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c suscept_laueint.f90 -o suscept_laueint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c suscept_vv.f90 -o suscept_vv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c write_rism_type.f90 -o write_rism_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c mbdlib.f90 -o mbdlib.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c qexsd.f90 -o qexsd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rism1d_facade.f90 -o rism1d_facade.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c rism3d_facade.f90 -o rism3d_facade.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c lj_solute.f90 -o lj_solute.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c init_3drism.f90 -o init_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c input_1drism.f90 -o input_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c print_solvavg.f90 -o print_solvavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c solvation_esm.f90 -o solvation_esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c summary_1drism.f90 -o summary_1drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c summary_3drism.f90 -o summary_3drism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c input_3drism.f90 -o input_3drism.o\nar ruv libqemod.a additional_kpoints.o atomic_wfc_mod.o autopilot.o ions_nose.o cell_nose.o basic_algebra_routines.o becmod.o bfgs_module.o bspline.o bz_form.o cell_base.o check_stop.o command_line_options.o compute_dipole.o constants.o constraints_module.o control_flags.o coulomb_vcut.o dist.o electrons_base.o environ_base_module.o environment.o extffield.o fd_gradient.o fft_base.o fft_rho.o fft_wave.o fsockets.o funct.o generate_function.o gradutils.o gvecw.o input_parameters.o invmat.o io_files.o io_global.o ions_base.o kind.o lmdif.o makov_payne.o mdiis.o mm_dispersion.o mp_bands.o mp_exx.o mp_global.o mp_images.o mp_pools.o mp_wave.o mp_world.o noncol.o open_close_input_file.o parameters.o parser.o plugin_flags.o plugin_arguments.o plugin_variables.o printout_base.o pw_dot.o qmmm.o random_numbers.o read_cards.o read_input.o read_namelists.o read_pseudo.o recvec.o recvec_subs.o run_info.o space_group.o set_para_diag.o set_signal.o set_vdw_corr.o copy_order_um_from_xml.o setqf.o timestep.o tsvdw.o mbdlib.o version.o wannier_gw.o wannier_new.o wavefunctions.o ws_base.o xc_vdW_DF.o xc_rVV10.o io_base.o qes_types_module.o qes_libs_module.o qes_write_module.o qes_read_module.o qes_reset_module.o qes_init_module.o qes_bcast_module.o qexsd.o qexsd_copy.o qexsd_init.o qexsd_input.o hdf5_qe.o qeh5_module.o fox_init_module.o xsf.o wyckoff.o wypos.o zvscal.o wave_gauge.o random_numbers_gpu.o atom_weight.o cryst_to_car.o expint.o generate_k_along_lines.o has_xml.o inpfile.o int_to_char.o latgen.o linpack.o plot_io.o radial_gradients.o rgen.o recips.o remove_tot_torque.o sort.o trimcheck.o date_and_tim.o volume.o wgauss.o w0gauss.o w1gauss.o deviatoric.o customize_signals.o qmmm_aux.o sockets.o allocate_fft_3drism.o chempot.o chempot_lauerism.o closure.o corrdipole_laue.o correctat0_vv.o corrgxy0_laue.o cryst_to_car_2d.o data_structure_3drism.o do_1drism.o do_3drism.o do_lauerism.o eqn_1drism.o eqn_3drism.o eqn_lauedipole.o eqn_lauegxy0.o eqn_lauelong.o eqn_lauerism.o eqn_laueshort.o eqn_lauevoid.o err_rism.o guess_3drism.o init_1drism.o init_3drism.o input_1drism.o input_3drism.o io_rism_xml.o lauefft.o lauefft_subs.o lj_forcefield.o lj_solute.o molecorr_vv.o molebridge_vv.o molecule_const.o molecule_types.o mp_rism.o mp_swap_ax_rism.o normalize_lauerism.o plot_rism.o potential_3drism.o potential_esm.o potential_vv.o print_chempot_3drism.o print_chempot_lauerism.o print_chempot_vv.o print_corr_vv.o print_solvavg.o radfft.o read_mol.o read_solv.o recvec_3drism.o rism.o rism1d_facade.o rism3d_facade.o rms_residual.o scale_fft_3drism.o scale_fft_lauerism.o solute.o solvation_3drism.o solvation_esm.o solvation_force.o solvation_lauerism.o solvation_pbc.o solvation_stress.o solvavg.o solvmol.o summary_1drism.o summary_3drism.o suscept_g0.o suscept_laue.o suscept_laueint.o suscept_vv.o write_rism_type.o xml_io_rism.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libqemod.a\na - additional_kpoints.o\na - atomic_wfc_mod.o\na - autopilot.o\na - ions_nose.o\na - cell_nose.o\na - basic_algebra_routines.o\na - becmod.o\na - bfgs_module.o\na - bspline.o\na - bz_form.o\na - cell_base.o\na - check_stop.o\na - command_line_options.o\na - compute_dipole.o\na - constants.o\na - constraints_module.o\na - control_flags.o\na - coulomb_vcut.o\na - dist.o\na - electrons_base.o\na - environ_base_module.o\na - environment.o\na - extffield.o\na - fd_gradient.o\na - fft_base.o\na - fft_rho.o\na - fft_wave.o\na - fsockets.o\na - funct.o\na - generate_function.o\na - gradutils.o\na - gvecw.o\na - input_parameters.o\na - invmat.o\na - io_files.o\na - io_global.o\na - ions_base.o\na - kind.o\na - lmdif.o\na - makov_payne.o\na - mdiis.o\na - mm_dispersion.o\na - mp_bands.o\na - mp_exx.o\na - mp_global.o\na - mp_images.o\na - mp_pools.o\na - mp_wave.o\na - mp_world.o\na - noncol.o\na - open_close_input_file.o\na - parameters.o\na - parser.o\na - plugin_flags.o\na - plugin_arguments.o\na - plugin_variables.o\na - printout_base.o\na - pw_dot.o\na - qmmm.o\na - random_numbers.o\na - read_cards.o\na - read_input.o\na - read_namelists.o\na - read_pseudo.o\na - recvec.o\na - recvec_subs.o\na - run_info.o\na - space_group.o\na - set_para_diag.o\na - set_signal.o\na - set_vdw_corr.o\na - copy_order_um_from_xml.o\na - setqf.o\na - timestep.o\na - tsvdw.o\na - mbdlib.o\na - version.o\na - wannier_gw.o\na - wannier_new.o\na - wavefunctions.o\na - ws_base.o\na - xc_vdW_DF.o\na - xc_rVV10.o\na - io_base.o\na - qes_types_module.o\na - qes_libs_module.o\na - qes_write_module.o\na - qes_read_module.o\na - qes_reset_module.o\na - qes_init_module.o\na - qes_bcast_module.o\na - qexsd.o\na - qexsd_copy.o\na - qexsd_init.o\na - qexsd_input.o\na - hdf5_qe.o\na - qeh5_module.o\na - fox_init_module.o\na - xsf.o\na - wyckoff.o\na - wypos.o\na - zvscal.o\na - wave_gauge.o\na - random_numbers_gpu.o\na - atom_weight.o\na - cryst_to_car.o\na - expint.o\na - generate_k_along_lines.o\na - has_xml.o\na - inpfile.o\na - int_to_char.o\na - latgen.o\na - linpack.o\na - plot_io.o\na - radial_gradients.o\na - rgen.o\na - recips.o\na - remove_tot_torque.o\na - sort.o\na - trimcheck.o\na - date_and_tim.o\na - volume.o\na - wgauss.o\na - w0gauss.o\na - w1gauss.o\na - deviatoric.o\na - customize_signals.o\na - qmmm_aux.o\na - sockets.o\na - allocate_fft_3drism.o\na - chempot.o\na - chempot_lauerism.o\na - closure.o\na - corrdipole_laue.o\na - correctat0_vv.o\na - corrgxy0_laue.o\na - cryst_to_car_2d.o\na - data_structure_3drism.o\na - do_1drism.o\na - do_3drism.o\na - do_lauerism.o\na - eqn_1drism.o\na - eqn_3drism.o\na - eqn_lauedipole.o\na - eqn_lauegxy0.o\na - eqn_lauelong.o\na - eqn_lauerism.o\na - eqn_laueshort.o\na - eqn_lauevoid.o\na - err_rism.o\na - guess_3drism.o\na - init_1drism.o\na - init_3drism.o\na - input_1drism.o\na - input_3drism.o\na - io_rism_xml.o\na - lauefft.o\na - lauefft_subs.o\na - lj_forcefield.o\na - lj_solute.o\na - molecorr_vv.o\na - molebridge_vv.o\na - molecule_const.o\na - molecule_types.o\na - mp_rism.o\na - mp_swap_ax_rism.o\na - normalize_lauerism.o\na - plot_rism.o\na - potential_3drism.o\na - potential_esm.o\na - potential_vv.o\na - print_chempot_3drism.o\na - print_chempot_lauerism.o\na - print_chempot_vv.o\na - print_corr_vv.o\na - print_solvavg.o\na - radfft.o\na - read_mol.o\na - read_solv.o\na - recvec_3drism.o\na - rism.o\na - rism1d_facade.o\na - rism3d_facade.o\na - rms_residual.o\na - scale_fft_3drism.o\na - scale_fft_lauerism.o\na - solute.o\na - solvation_3drism.o\na - solvation_esm.o\na - solvation_force.o\na - solvation_lauerism.o\na - solvation_pbc.o\na - solvation_stress.o\na - solvavg.o\na - solvmol.o\na - summary_1drism.o\na - summary_3drism.o\na - suscept_g0.o\na - suscept_laue.o\na - suscept_laueint.o\na - suscept_vv.o\na - write_rism_type.o\na - xml_io_rism.o\nranlib libqemod.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/Modules'\n( cd dft-d3 ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c common.f90 -o common.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c sizes.f90 -o sizes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c pars.f90 -o pars.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c core.f90 -o core.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c api.f90 -o api.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -c dftd3_qe.f90 -o dftd3_qe.o\nar ruv libdftd3qe.a common.o sizes.o pars.o core.o api.o dftd3_qe.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libdftd3qe.a\na - common.o\na - sizes.o\na - pars.o\na - core.o\na - api.o\na - dftd3_qe.o\nranlib libdftd3qe.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nif test -d PW ; then \\\n( cd PW ; make pwlibs || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pwcom.f90 -o pwcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c start_k.f90 -o start_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c symm_base.f90 -o symm_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c extfield.f90 -o extfield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_enums.f90 -o oscdft_enums.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_indices.f90 -o oscdft_indices.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c buffers.f90 -o buffers.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c atomic_wfc_mod.f90 -o atomic_wfc_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_us_2.f90 -o init_us_2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c allocate_locpot.f90 -o allocate_locpot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c allocate_wfc.f90 -o allocate_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c starting_scf_mod.f90 -o starting_scf_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c atomic_wfc.f90 -o atomic_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c acfdt_in_pw.f90 -o acfdt_in_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c bp_mod.f90 -o bp_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c bp_strings.f90 -o bp_strings.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c Coul_cut_2D.f90 -o Coul_cut_2D.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx_bp_utils.f90 -o exx_bp_utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c paw_onecenter.f90 -o paw_onecenter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c dynamics_module.f90 -o dynamics_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_dynamics.f90 -o fcp_dynamics.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_relaxation.f90 -o fcp_relaxation.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c martyna_tuckerman.f90 -o martyna_tuckerman.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c tetra.f90 -o tetra.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c two_chem.f90 -o two_chem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c g_psi_mod.f90 -o g_psi_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c c_phase_field.f90 -o c_phase_field.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c cdiagh.f90 -o cdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c paw_symmetry.f90 -o paw_symmetry.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c symme.f90 -o symme.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_deff.f90 -o compute_deff.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_dip.f90 -o compute_dip.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_rho.f90 -o compute_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_qdipol.f90 -o compute_qdipol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_qdipol_so.f90 -o compute_qdipol_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_ux.f90 -o compute_ux.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c d_matrix.f90 -o d_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c divide_class.f90 -o divide_class.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c divide_class_so.f90 -o divide_class_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c divide_et_impera.f90 -o divide_et_impera.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c rotate_wfc.f90 -o rotate_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c efermig.f90 -o efermig.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c efermit.f90 -o efermit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c environ_io_stub.f90 -o environ_io_stub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c eqvect.f90 -o eqvect.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ewald.f90 -o ewald.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ewald_dipole.f90 -o ewald_dipole.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_dyn_calcavg.f90 -o fcp_dyn_calcavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_dyn_printavg.f90 -o fcp_dyn_printavg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_hessian.f90 -o fcp_hessian.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c find_group.f90 -o find_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c forces_bp_efield.f90 -o forces_bp_efield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_ew.f90 -o force_ew.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c g_psi.f90 -o g_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gen_at_dj.f90 -o gen_at_dj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gen_at_dy.f90 -o gen_at_dy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c get_locals.f90 -o get_locals.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gk_sort.f90 -o gk_sort.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gradcorr.f90 -o gradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gweights.f90 -o gweights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c g2_kin.f90 -o g2_kin.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hs_psi.f90 -o hs_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c h_epsi_her_apply.f90 -o h_epsi_her_apply.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c h_epsi_her_set.f90 -o h_epsi_her_set.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c irreducible_BZ.f90 -o irreducible_BZ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c iweights.f90 -o iweights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c kpoint_grid.f90 -o kpoint_grid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c lchk_tauxk.f90 -o lchk_tauxk.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c make_pointlists.f90 -o make_pointlists.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c manypw.f90 -o manypw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c multable.f90 -o multable.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c n_plane_waves.f90 -o n_plane_waves.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c new_occ.f90 -o new_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c orthoatwfc.f90 -o orthoatwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c output_tau.f90 -o output_tau.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c para.f90 -o para.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_print_energies.f90 -o plugin_print_energies.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_init_ions.f90 -o plugin_init_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_init_cell.f90 -o plugin_init_cell.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_init_potential.f90 -o plugin_init_potential.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_initbase.f90 -o plugin_initbase.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_clean.f90 -o plugin_clean.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_check.f90 -o plugin_check.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_clock.f90 -o plugin_clock.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_summary.f90 -o plugin_summary.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_initialization.f90 -o plugin_initialization.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_ext_forces.f90 -o plugin_ext_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_int_forces.f90 -o plugin_int_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_read_input.f90 -o plugin_read_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw_init_qexsd_input.f90 -o pw_init_qexsd_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw2blip.f90 -o pw2blip.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw2casino.f90 -o pw2casino.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c rdiagh.f90 -o rdiagh.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c read_conf_from_file.f90 -o read_conf_from_file.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c rho2zeta.f90 -o rho2zeta.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ruotaijk.f90 -o ruotaijk.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c save_in_cbands.f90 -o save_in_cbands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_kplusq.f90 -o set_kplusq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_kup_and_kdw.f90 -o set_kup_and_kdw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_occupations.f90 -o set_occupations.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_spin_vars.f90 -o set_spin_vars.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_vrs.f90 -o set_vrs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stop_run.f90 -o stop_run.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_ewa.f90 -o stres_ewa.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_knl.f90 -o stres_knl.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_us.f90 -o stres_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_nonloc_dft.f90 -o stres_nonloc_dft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c struct_fact.f90 -o struct_fact.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c sumkg.f90 -o sumkg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c sumkt.f90 -o sumkt.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c symmetrize_at.f90 -o symmetrize_at.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c transform_becsum_so.f90 -o transform_becsum_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c transform_becsum_nc.f90 -o transform_becsum_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c trnvecc.f90 -o trnvecc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vcsmd.f90 -o vcsmd.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vcsubs.f90 -o vcsubs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vloc_psi_tg.f90 -o vloc_psi_tg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vloc_psi_acc.f90 -o vloc_psi_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c utils.f90 -o utils.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wsweight.f90 -o wsweight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ortho_wfc.f90 -o ortho_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wannier_init.f90 -o wannier_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wannier_check.f90 -o wannier_check.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wannier_occ.f90 -o wannier_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c d3hess_mod.f90 -o d3hess_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c utils_gpu.f90 -o utils_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c a2fmod.f90 -o a2fmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_bfield.f90 -o add_bfield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_efield.f90 -o add_efield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_dmft_occ.f90 -o add_dmft_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_vuspsi.f90 -o add_vuspsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_vuspsi_acc.f90 -o add_vuspsi_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_gatefield.f90 -o add_gatefield.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_paw_to_deeq.f90 -o add_paw_to_deeq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_paw_to_deeq_acc.f90 -o add_paw_to_deeq_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_wavefunction.f90 -o oscdft_wavefunction.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_input.f90 -o oscdft_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c atomic_rho.f90 -o atomic_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c bp_c_phase.f90 -o bp_c_phase.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx_base.f90 -o exx_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c paw_exx.f90 -o paw_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_us.f90 -o force_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c print_ks_energies.f90 -o print_ks_energies.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c save_in_electrons.f90 -o save_in_electrons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_forces.f90 -o oscdft_forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_context.f90 -o oscdft_context.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_common_mod.f90 -o esm_common_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_base.f90 -o oscdft_base.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_wavefunction_subs.f90 -o oscdft_wavefunction_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_occupations.f90 -o oscdft_occupations.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_wfcO.f90 -o oscdft_wfcO.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_functions_gpu.f90 -o oscdft_functions_gpu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_functions.f90 -o oscdft_functions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_forces_subs.f90 -o oscdft_forces_subs.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ldaU.f90 -o ldaU.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c restart_in_electrons.f90 -o restart_in_electrons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c scf_mod.f90 -o scf_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c average_pp.f90 -o average_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c close_files.f90 -o close_files.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c commutator_Hx_psi.f90 -o commutator_Hx_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hubbard.f90 -o hubbard.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_q_aeps.f90 -o init_q_aeps.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c intersite_V.f90 -o intersite_V.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c new_nsb.f90 -o new_nsb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c new_nsg.f90 -o new_nsg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c ns_adj.f90 -o ns_adj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c offset_atom_wfc.f90 -o offset_atom_wfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c openfil.f90 -o openfil.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c orthoUwfc.f90 -o orthoUwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_scf_energy.f90 -o plugin_scf_energy.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plugin_scf_potential.f90 -o plugin_scf_potential.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c plus_u_full.f90 -o plus_u_full.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c remove_atomic_rho.f90 -o remove_atomic_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c report_mag.f90 -o report_mag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c set_rhoc.f90 -o set_rhoc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_cc.f90 -o stres_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_gradcorr.f90 -o stres_gradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_har.f90 -o stres_har.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_hub.f90 -o stres_hub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_mgga.f90 -o stres_mgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c usnldiag.f90 -o usnldiag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c v_hubbard.f90 -o v_hubbard.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vhpsi.f90 -o vhpsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c vhpsi_U.f90 -o vhpsi_U.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c write_ns.f90 -o write_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wannier_clean.f90 -o wannier_clean.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c oscdft_extended.f90 -o oscdft_extended.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_vhub_to_deeq.f90 -o add_vhub_to_deeq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_vhub_to_deeq_acc.f90 -o add_vhub_to_deeq_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c realus.f90 -o realus.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c allocate_fft.f90 -o allocate_fft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c beef.f90 -o beef.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_ewald_mod.f90 -o esm_ewald_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_force_mod.f90 -o esm_force_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_hartree_mod.f90 -o esm_hartree_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_local_mod.f90 -o esm_local_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm_stres_mod.f90 -o esm_stres_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c xdm_dispersion.f90 -o xdm_dispersion.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c sic.f90 -o sic.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c orbm_kubo.f90 -o orbm_kubo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c paw_init.f90 -o paw_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c commutator_Vhubx_psi.f90 -o commutator_Vhubx_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c data_structure.f90 -o data_structure.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c update_pot.f90 -o update_pot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c io_rho_xml.f90 -o io_rho_xml.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c printpot.f90 -o printpot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_cc.f90 -o force_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_corr.f90 -o force_corr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_hub.f90 -o force_hub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hs_1psi.f90 -o hs_1psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c h_psi_meta.f90 -o h_psi_meta.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hinit0.f90 -o hinit0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_ns.f90 -o init_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_nsg.f90 -o init_nsg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c new_ns.f90 -o new_ns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c s_1psi.f90 -o s_1psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c s_psi.f90 -o s_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c addusdens.f90 -o addusdens.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c addusforce.f90 -o addusforce.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c addusstress.f90 -o addusstress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c newd_acc.f90 -o newd_acc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c esm.f90 -o esm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c us_exx.f90 -o us_exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c scissor.f90 -o scissor.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c run_driver.f90 -o run_driver.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c environ_pw_module.f90 -o environ_pw_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_capacitance.f90 -o fcp_capacitance.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c force_lc.f90 -o force_lc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_vloc.f90 -o init_vloc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stres_loc.f90 -o stres_loc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c v_of_rho.f90 -o v_of_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx_bp.f90 -o exx_bp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx_std.f90 -o exx_std.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c rism_module.f90 -o rism_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c compute_becsum.f90 -o compute_becsum.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_module.f90 -o fcp_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c forces.f90 -o forces.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c init_run.f90 -o init_run.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c potinit.f90 -o potinit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c print_clock_pw.f90 -o print_clock_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c add_qexsd_step.f90 -o add_qexsd_step.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c setlocal.f90 -o setlocal.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gcscf_module.f90 -o gcscf_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c fcp_input.f90 -o fcp_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c move_ions.f90 -o move_ions.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c mix_rho.f90 -o mix_rho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c gcscf_input.f90 -o gcscf_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c sum_band.f90 -o sum_band.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c weights.f90 -o weights.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c exx.f90 -o exx.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c hinit1.f90 -o hinit1.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw_restart_new.f90 -o pw_restart_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c clean_pw.f90 -o clean_pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c loc_scdm.f90 -o loc_scdm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c h_psi.f90 -o h_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c memory_report.f90 -o memory_report.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c non_scf.f90 -o non_scf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pw2casino_write.f90 -o pw2casino_write.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c run_pwscf.f90 -o run_pwscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c scale_h.f90 -o scale_h.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c stress.f90 -o stress.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c summary.f90 -o summary.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c loc_scdm_k.f90 -o loc_scdm_k.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c input.f90 -o input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c punch.f90 -o punch.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c read_file_new.f90 -o read_file_new.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c wfcinit.f90 -o wfcinit.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c diag_direct.f90 -o diag_direct.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c electrons.f90 -o electrons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c c_bands.f90 -o c_bands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c setup.f90 -o setup.o\nar ruv libpw.a a2fmod.o add_bfield.o add_efield.o add_dmft_occ.o add_vuspsi.o add_vuspsi_acc.o add_gatefield.o add_paw_to_deeq.o add_paw_to_deeq_acc.o add_vhub_to_deeq.o add_vhub_to_deeq_acc.o addusdens.o addusforce.o addusstress.o allocate_fft.o allocate_locpot.o allocate_wfc.o atomic_rho.o atomic_wfc.o atomic_wfc_mod.o average_pp.o acfdt_in_pw.o newd_acc.o beef.o bp_mod.o bp_c_phase.o bp_strings.o buffers.o c_bands.o c_phase_field.o orbm_kubo.o cdiagh.o clean_pw.o close_files.o commutator_Hx_psi.o commutator_Vhubx_psi.o compute_becsum.o compute_deff.o compute_dip.o compute_rho.o compute_qdipol.o compute_qdipol_so.o compute_ux.o Coul_cut_2D.o d_matrix.o data_structure.o diag_direct.o divide_class.o divide_class_so.o divide_et_impera.o rotate_wfc.o run_driver.o dynamics_module.o efermig.o efermit.o electrons.o environ_pw_module.o eqvect.o esm.o esm_common_mod.o esm_ewald_mod.o esm_force_mod.o esm_hartree_mod.o esm_local_mod.o esm_stres_mod.o ewald.o ewald_dipole.o extfield.o exx_base.o exx.o exx_std.o exx_bp_utils.o exx_bp.o fcp_capacitance.o fcp_dyn_calcavg.o fcp_dyn_printavg.o fcp_dynamics.o fcp_hessian.o fcp_input.o fcp_module.o fcp_relaxation.o find_group.o forces_bp_efield.o force_cc.o force_corr.o force_ew.o force_hub.o force_lc.o force_us.o forces.o g_psi.o g_psi_mod.o gcscf_input.o gcscf_module.o gen_at_dj.o gen_at_dy.o get_locals.o gk_sort.o gradcorr.o gweights.o g2_kin.o hs_psi.o hs_1psi.o h_epsi_her_apply.o h_epsi_her_set.o h_psi.o h_psi_meta.o hinit0.o hinit1.o hubbard.o init_ns.o init_q_aeps.o init_run.o init_us_2.o init_vloc.o input.o io_rho_xml.o irreducible_BZ.o iweights.o intersite_V.o init_nsg.o start_k.o kpoint_grid.o lchk_tauxk.o ldaU.o make_pointlists.o manypw.o martyna_tuckerman.o memory_report.o mix_rho.o move_ions.o multable.o n_plane_waves.o new_ns.o new_nsb.o new_nsg.o new_occ.o ns_adj.o non_scf.o offset_atom_wfc.o openfil.o orthoatwfc.o orthoUwfc.o output_tau.o para.o paw_exx.o paw_init.o paw_onecenter.o paw_symmetry.o plugin_print_energies.o plugin_scf_energy.o plugin_scf_potential.o plugin_init_ions.o plugin_init_cell.o plugin_init_potential.o plugin_initbase.o plugin_clean.o plugin_check.o plugin_clock.o plugin_summary.o plugin_initialization.o plugin_ext_forces.o plugin_int_forces.o plugin_read_input.o plus_u_full.o potinit.o print_clock_pw.o print_ks_energies.o printpot.o punch.o pw_restart_new.o add_qexsd_step.o pw_init_qexsd_input.o pwcom.o pw2blip.o pw2casino.o pw2casino_write.o rdiagh.o read_conf_from_file.o read_file_new.o realus.o remove_atomic_rho.o report_mag.o restart_in_electrons.o rho2zeta.o rism_module.o ruotaijk.o run_pwscf.o s_1psi.o s_psi.o save_in_cbands.o save_in_electrons.o scale_h.o loc_scdm.o loc_scdm_k.o scf_mod.o set_kplusq.o set_kup_and_kdw.o set_occupations.o set_rhoc.o set_spin_vars.o set_vrs.o setlocal.o setup.o scissor.o sic.o starting_scf_mod.o stop_run.o stres_cc.o stres_ewa.o stres_gradcorr.o stres_har.o stres_hub.o stres_knl.o stres_loc.o stres_us.o stres_nonloc_dft.o stres_mgga.o stress.o struct_fact.o sum_band.o sumkg.o sumkt.o summary.o symme.o symm_base.o symmetrize_at.o tetra.o transform_becsum_so.o transform_becsum_nc.o trnvecc.o two_chem.o update_pot.o us_exx.o usnldiag.o v_hubbard.o v_of_rho.o vcsmd.o vcsubs.o vhpsi.o vhpsi_U.o vloc_psi_tg.o vloc_psi_acc.o utils.o xdm_dispersion.o wfcinit.o write_ns.o wsweight.o weights.o ortho_wfc.o wannier_init.o wannier_check.o wannier_clean.o wannier_occ.o oscdft_input.o oscdft_context.o oscdft_base.o oscdft_enums.o oscdft_indices.o oscdft_wavefunction.o oscdft_wavefunction_subs.o oscdft_functions.o oscdft_occupations.o oscdft_wfcO.o oscdft_forces.o oscdft_forces_subs.o oscdft_extended.o d3hess_mod.o utils_gpu.o oscdft_functions_gpu.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libpw.a\na - a2fmod.o\na - add_bfield.o\na - add_efield.o\na - add_dmft_occ.o\na - add_vuspsi.o\na - add_vuspsi_acc.o\na - add_gatefield.o\na - add_paw_to_deeq.o\na - add_paw_to_deeq_acc.o\na - add_vhub_to_deeq.o\na - add_vhub_to_deeq_acc.o\na - addusdens.o\na - addusforce.o\na - addusstress.o\na - allocate_fft.o\na - allocate_locpot.o\na - allocate_wfc.o\na - atomic_rho.o\na - atomic_wfc.o\na - atomic_wfc_mod.o\na - average_pp.o\na - acfdt_in_pw.o\na - newd_acc.o\na - beef.o\na - bp_mod.o\na - bp_c_phase.o\na - bp_strings.o\na - buffers.o\na - c_bands.o\na - c_phase_field.o\na - orbm_kubo.o\na - cdiagh.o\na - clean_pw.o\na - close_files.o\na - commutator_Hx_psi.o\na - commutator_Vhubx_psi.o\na - compute_becsum.o\na - compute_deff.o\na - compute_dip.o\na - compute_rho.o\na - compute_qdipol.o\na - compute_qdipol_so.o\na - compute_ux.o\na - Coul_cut_2D.o\na - d_matrix.o\na - data_structure.o\na - diag_direct.o\na - divide_class.o\na - divide_class_so.o\na - divide_et_impera.o\na - rotate_wfc.o\na - run_driver.o\na - dynamics_module.o\na - efermig.o\na - efermit.o\na - electrons.o\na - environ_pw_module.o\na - eqvect.o\na - esm.o\na - esm_common_mod.o\na - esm_ewald_mod.o\na - esm_force_mod.o\na - esm_hartree_mod.o\na - esm_local_mod.o\na - esm_stres_mod.o\na - ewald.o\na - ewald_dipole.o\na - extfield.o\na - exx_base.o\na - exx.o\na - exx_std.o\na - exx_bp_utils.o\na - exx_bp.o\na - fcp_capacitance.o\na - fcp_dyn_calcavg.o\na - fcp_dyn_printavg.o\na - fcp_dynamics.o\na - fcp_hessian.o\na - fcp_input.o\na - fcp_module.o\na - fcp_relaxation.o\na - find_group.o\na - forces_bp_efield.o\na - force_cc.o\na - force_corr.o\na - force_ew.o\na - force_hub.o\na - force_lc.o\na - force_us.o\na - forces.o\na - g_psi.o\na - g_psi_mod.o\na - gcscf_input.o\na - gcscf_module.o\na - gen_at_dj.o\na - gen_at_dy.o\na - get_locals.o\na - gk_sort.o\na - gradcorr.o\na - gweights.o\na - g2_kin.o\na - hs_psi.o\na - hs_1psi.o\na - h_epsi_her_apply.o\na - h_epsi_her_set.o\na - h_psi.o\na - h_psi_meta.o\na - hinit0.o\na - hinit1.o\na - hubbard.o\na - init_ns.o\na - init_q_aeps.o\na - init_run.o\na - init_us_2.o\na - init_vloc.o\na - input.o\na - io_rho_xml.o\na - irreducible_BZ.o\na - iweights.o\na - intersite_V.o\na - init_nsg.o\na - start_k.o\na - kpoint_grid.o\na - lchk_tauxk.o\na - ldaU.o\na - make_pointlists.o\na - manypw.o\na - martyna_tuckerman.o\na - memory_report.o\na - mix_rho.o\na - move_ions.o\na - multable.o\na - n_plane_waves.o\na - new_ns.o\na - new_nsb.o\na - new_nsg.o\na - new_occ.o\na - ns_adj.o\na - non_scf.o\na - offset_atom_wfc.o\na - openfil.o\na - orthoatwfc.o\na - orthoUwfc.o\na - output_tau.o\na - para.o\na - paw_exx.o\na - paw_init.o\na - paw_onecenter.o\na - paw_symmetry.o\na - plugin_print_energies.o\na - plugin_scf_energy.o\na - plugin_scf_potential.o\na - plugin_init_ions.o\na - plugin_init_cell.o\na - plugin_init_potential.o\na - plugin_initbase.o\na - plugin_clean.o\na - plugin_check.o\na - plugin_clock.o\na - plugin_summary.o\na - plugin_initialization.o\na - plugin_ext_forces.o\na - plugin_int_forces.o\na - plugin_read_input.o\na - plus_u_full.o\na - potinit.o\na - print_clock_pw.o\na - print_ks_energies.o\na - printpot.o\na - punch.o\na - pw_restart_new.o\na - add_qexsd_step.o\na - pw_init_qexsd_input.o\na - pwcom.o\na - pw2blip.o\na - pw2casino.o\na - pw2casino_write.o\na - rdiagh.o\na - read_conf_from_file.o\na - read_file_new.o\na - realus.o\na - remove_atomic_rho.o\na - report_mag.o\na - restart_in_electrons.o\na - rho2zeta.o\na - rism_module.o\na - ruotaijk.o\na - run_pwscf.o\na - s_1psi.o\na - s_psi.o\na - save_in_cbands.o\na - save_in_electrons.o\na - scale_h.o\na - loc_scdm.o\na - loc_scdm_k.o\na - scf_mod.o\na - set_kplusq.o\na - set_kup_and_kdw.o\na - set_occupations.o\na - set_rhoc.o\na - set_spin_vars.o\na - set_vrs.o\na - setlocal.o\na - setup.o\na - scissor.o\na - sic.o\na - starting_scf_mod.o\na - stop_run.o\na - stres_cc.o\na - stres_ewa.o\na - stres_gradcorr.o\na - stres_har.o\na - stres_hub.o\na - stres_knl.o\na - stres_loc.o\na - stres_us.o\na - stres_nonloc_dft.o\na - stres_mgga.o\na - stress.o\na - struct_fact.o\na - sum_band.o\na - sumkg.o\na - sumkt.o\na - summary.o\na - symme.o\na - symm_base.o\na - symmetrize_at.o\na - tetra.o\na - transform_becsum_so.o\na - transform_becsum_nc.o\na - trnvecc.o\na - two_chem.o\na - update_pot.o\na - us_exx.o\na - usnldiag.o\na - v_hubbard.o\na - v_of_rho.o\na - vcsmd.o\na - vcsubs.o\na - vhpsi.o\na - vhpsi_U.o\na - vloc_psi_tg.o\na - vloc_psi_acc.o\na - utils.o\na - xdm_dispersion.o\na - wfcinit.o\na - write_ns.o\na - wsweight.o\na - weights.o\na - ortho_wfc.o\na - wannier_init.o\na - wannier_check.o\na - wannier_clean.o\na - wannier_occ.o\na - oscdft_input.o\na - oscdft_context.o\na - oscdft_base.o\na - oscdft_enums.o\na - oscdft_indices.o\na - oscdft_wavefunction.o\na - oscdft_wavefunction_subs.o\na - oscdft_functions.o\na - oscdft_occupations.o\na - oscdft_wfcO.o\na - oscdft_forces.o\na - oscdft_forces_subs.o\na - oscdft_extended.o\na - d3hess_mod.o\na - utils_gpu.o\na - oscdft_functions_gpu.o\nranlib libpw.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\nif test -d PW ; then \\\n( cd PW ; make all || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[2]: 'libpw.a' is up to date.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\n( cd src ; make all || exit 1 )\n( cd tools ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/tools'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c ev.f90 -o ev.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c kpoints.f90 -o kpoints.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c pwi2xsf.f90 -o pwi2xsf.o\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../dft-d3/ -c pwscf.f90 -o pwscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c ibrav2cell.f90 -o ibrav2cell.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c cell2ibrav.f90 -o cell2ibrav.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pw.x \\\n pwscf.o libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c scan_ibrav.f90 -o scan_ibrav.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../src -I../../dft-d3/ -c rism1d.f90 -o rism1d.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o kpoints.x \\\n\tkpoints.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pwi2xsf.x \\\n\tpwi2xsf.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ibrav2cell.x \\\n\tibrav2cell.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin; ln -fs ../PW/src/pw.x . ; \\\n ln -fs ../PW/src/pw.x dist.x ; ln -fs ../PW/src/pw.x manypw.x ; )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o cell2ibrav.x \\\n\tcell2ibrav.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/kpoints.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o scan_ibrav.x \\\n\tscan_ibrav.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/pwi2xsf.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o rism1d.x \\\n\trism1d.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/ibrav2cell.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ev.x \\\n\tev.o ../src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PW/tools/cell2ibrav.x . )\n( cd ../../bin ; ln -fs ../PW/tools/scan_ibrav.x . )\n( cd ../../bin ; ln -fs ../PW/tools/rism1d.x . )\n( cd ../../bin ; ln -fs ../PW/tools/ev.x . )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/tools'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\ntest -d bin || mkdir bin\n( cd UtilXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libdevx || exit 1 )\n( cd FFTXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libmbd || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\n( cd src ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/devxlib/make_devx; then \\\nmkdir -p /kaggle/working/q-e-qe-7.6/devxlib/src ; \\\ncd /kaggle/working/q-e-qe-7.6/external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.6/make.inc ../; \\\n( make all && touch /kaggle/working/q-e-qe-7.6/devxlib/make_devx ) ; \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/devxlib/src/ ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\n( cd XClib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/MBD/make_mbd; then \\\n mkdir /kaggle/working/q-e-qe-7.6/MBD; \\\n cd /kaggle/working/q-e-qe-7.6/external/mbd/src; \\\n export FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include \"; \\\n (make -f ../../mbd.make && touch /kaggle/working/q-e-qe-7.6/MBD/make_mbd); \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/MBD; fi\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\n( cd LAXlib ; make all || exit 1 )\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\n( cd upflib ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/LAXlib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/LAXlib'\n( cd KS_Solvers ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/upflib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/upflib'\n( cd Modules ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/Modules'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/Modules'\n( cd dft-d3 ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nif test -d Direct ; then \\\n ( cd Direct ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d PW ; then \\\n( cd PW ; make pwlibs || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[2]: 'libpw.a' is up to date.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd LR_Modules ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/LR_Modules'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lrcom.f90 -o lrcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c apply_dpot.f90 -o apply_dpot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c apply_dpot_mod.f90 -o apply_dpot_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c apply_trev.f90 -o apply_trev.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c addusldos.f90 -o addusldos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c adddvepsi_us.f90 -o adddvepsi_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c c_bands_ph.f90 -o c_bands_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c cgsolve_all.f90 -o cgsolve_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c ccgsolve_all.f90 -o ccgsolve_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c cg_psi.f90 -o cg_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c ccg_psi.f90 -o ccg_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c check_q_points_sym.f90 -o check_q_points_sym.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dfpt_type.f90 -o dfpt_type.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dynmat_sub.f90 -o dynmat_sub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dgradcorr.f90 -o dgradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dv_rVV10.f90 -o dv_rVV10.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dv_vdW_DF.f90 -o dv_vdW_DF.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c non_scf_ph.f90 -o non_scf_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_intq_nc.f90 -o set_intq_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_sym_mod.f90 -o lr_sym_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c sym_def.f90 -o sym_def.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c psymdvscf.f90 -o psymdvscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c symdvscf.f90 -o symdvscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c sym_dmag.f90 -o sym_dmag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c orthogonalize_omega.f90 -o orthogonalize_omega.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_nscf.f90 -o setup_nscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_dbecsum_nc.f90 -o set_dbecsum_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_int3_nc.f90 -o set_int3_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_kplusq_nc.f90 -o set_kplusq_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c smallgq.f90 -o smallgq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_dgc.f90 -o setup_dgc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c compute_vsgga.f90 -o compute_vsgga.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_dmuxc.f90 -o setup_dmuxc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_nbnd_occ.f90 -o setup_nbnd_occ.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c sgam_lr.f90 -o sgam_lr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c star_q.f90 -o star_q.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setqmod.f90 -o setqmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c qdipol_cryst.f90 -o qdipol_cryst.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c mode_group.f90 -o mode_group.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c mix_pot.f90 -o mix_pot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_nc_mag.f90 -o lr_nc_mag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_restart.f90 -o lr_restart.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lanczos_nonhermitian.f90 -o lanczos_nonhermitian.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lanczos_pseudohermitian.f90 -o lanczos_pseudohermitian.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lanczos_pseudohermitian_c.f90 -o lanczos_pseudohermitian_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lanczos_nonhermitian_c.f90 -o lanczos_nonhermitian_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c qpoint.f90 -o qpoint.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dnonloccorr.f90 -o dnonloccorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c adddvscf.f90 -o adddvscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c adddvhubscf.f90 -o adddvhubscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c addusdbec.f90 -o addusdbec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c addusdbec_nc.f90 -o addusdbec_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c cft_wave.f90 -o cft_wave.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c ch_psi_all.f90 -o ch_psi_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c ch_psi_all_complex.f90 -o ch_psi_all_complex.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c Coul_cut_2D_ph.f90 -o Coul_cut_2D_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dfpt_tetra_mod.f90 -o dfpt_tetra_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c incdrhoscf_mod.f90 -o incdrhoscf_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c h_prec.f90 -o h_prec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c h_prec_freq.f90 -o h_prec_freq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dv_of_drho.f90 -o dv_of_drho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c newdq.f90 -o newdq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c sym_dns.f90 -o sym_dns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_sm1_psi.f90 -o lr_sm1_psi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_addusddens.f90 -o lr_addusddens.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c set_small_group_of_q.f90 -o set_small_group_of_q.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_orthoUwfc.f90 -o lr_orthoUwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_dot.f90 -o lr_dot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_dot_magnons.f90 -o lr_dot_magnons.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_sym_paw.f90 -o lr_sym_paw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c response_kernels.f90 -o response_kernels.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c efermi_shift.f90 -o efermi_shift.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c localdos.f90 -o localdos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c orthogonalize.f90 -o orthogonalize.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c setup_alpha_pv.f90 -o setup_alpha_pv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c lr_two_chem.f90 -o lr_two_chem.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dnsq_scf.f90 -o dnsq_scf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c twochem_postproc_dfpt.f90 -o twochem_postproc_dfpt.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I/kaggle/working/q-e-qe-7.6/PW/src -c dfpt_kernels.f90 -o dfpt_kernels.o\nar ruv liblrmod.a adddvscf.o adddvhubscf.o addusdbec.o addusdbec_nc.o apply_dpot.o apply_dpot_mod.o apply_trev.o addusldos.o adddvepsi_us.o c_bands_ph.o cft_wave.o cgsolve_all.o ccgsolve_all.o cg_psi.o ccg_psi.o ch_psi_all.o ch_psi_all_complex.o Coul_cut_2D_ph.o check_q_points_sym.o dnsq_scf.o dfpt_tetra_mod.o dfpt_type.o dynmat_sub.o h_prec.o h_prec_freq.o incdrhoscf_mod.o dv_of_drho.o dgradcorr.o dnonloccorr.o dv_vdW_DF.o dv_rVV10.o newdq.o non_scf_ph.o set_intq_nc.o lr_sym_mod.o sym_def.o psymdvscf.o sym_dns.o symdvscf.o sym_dmag.o orthogonalize.o orthogonalize_omega.o setup_nscf.o set_dbecsum_nc.o set_int3_nc.o set_kplusq_nc.o smallgq.o lr_sm1_psi.o lr_addusddens.o localdos.o setup_dgc.o compute_vsgga.o setup_dmuxc.o setup_nbnd_occ.o setup_alpha_pv.o set_small_group_of_q.o sgam_lr.o star_q.o setqmod.o lr_orthoUwfc.o qdipol_cryst.o mode_group.o mix_pot.o lrcom.o qpoint.o lr_dot.o lr_dot_magnons.o lr_nc_mag.o lr_two_chem.o twochem_postproc_dfpt.o lr_sym_paw.o lr_restart.o lanczos_nonhermitian.o lanczos_pseudohermitian.o lanczos_pseudohermitian_c.o lanczos_nonhermitian_c.o response_kernels.o efermi_shift.o dfpt_kernels.o \nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating liblrmod.a\na - adddvscf.o\na - adddvhubscf.o\na - addusdbec.o\na - addusdbec_nc.o\na - apply_dpot.o\na - apply_dpot_mod.o\na - apply_trev.o\na - addusldos.o\na - adddvepsi_us.o\na - c_bands_ph.o\na - cft_wave.o\na - cgsolve_all.o\na - ccgsolve_all.o\na - cg_psi.o\na - ccg_psi.o\na - ch_psi_all.o\na - ch_psi_all_complex.o\na - Coul_cut_2D_ph.o\na - check_q_points_sym.o\na - dnsq_scf.o\na - dfpt_tetra_mod.o\na - dfpt_type.o\na - dynmat_sub.o\na - h_prec.o\na - h_prec_freq.o\na - incdrhoscf_mod.o\na - dv_of_drho.o\na - dgradcorr.o\na - dnonloccorr.o\na - dv_vdW_DF.o\na - dv_rVV10.o\na - newdq.o\na - non_scf_ph.o\na - set_intq_nc.o\na - lr_sym_mod.o\na - sym_def.o\na - psymdvscf.o\na - sym_dns.o\na - symdvscf.o\na - sym_dmag.o\na - orthogonalize.o\na - orthogonalize_omega.o\na - setup_nscf.o\na - set_dbecsum_nc.o\na - set_int3_nc.o\na - set_kplusq_nc.o\na - smallgq.o\na - lr_sm1_psi.o\na - lr_addusddens.o\na - localdos.o\na - setup_dgc.o\na - compute_vsgga.o\na - setup_dmuxc.o\na - setup_nbnd_occ.o\na - setup_alpha_pv.o\na - set_small_group_of_q.o\na - sgam_lr.o\na - star_q.o\na - setqmod.o\na - lr_orthoUwfc.o\na - qdipol_cryst.o\na - mode_group.o\na - mix_pot.o\na - lrcom.o\na - qpoint.o\na - lr_dot.o\na - lr_dot_magnons.o\na - lr_nc_mag.o\na - lr_two_chem.o\na - twochem_postproc_dfpt.o\na - lr_sym_paw.o\na - lr_restart.o\na - lanczos_nonhermitian.o\na - lanczos_pseudohermitian.o\na - lanczos_pseudohermitian_c.o\na - lanczos_nonhermitian_c.o\na - response_kernels.o\na - efermi_shift.o\na - dfpt_kernels.o\nranlib liblrmod.a \nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/LR_Modules'\nif test -d PHonon; then \\\n( cd PHonon; make phlibs || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon'\n( cd PH ; make phlibs || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c acfdtest.f90 -o acfdtest.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phcom.f90 -o phcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c add_for_charges.f90 -o add_for_charges.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c elph.f90 -o elph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ramanm.f90 -o ramanm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dfile_autoname.f90 -o dfile_autoname.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cch_psi_all.f90 -o cch_psi_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c check_restart_recover.f90 -o check_restart_recover.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c clinear.f90 -o clinear.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_alphasum.f90 -o compute_alphasum.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_becalp.f90 -o compute_becalp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_becsum_ph.f90 -o compute_becsum_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_drhous.f90 -o compute_drhous.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_drhous_nc.f90 -o compute_drhous_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_dvloc.f90 -o compute_dvloc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_nldyn.f90 -o compute_nldyn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c compute_weight.f90 -o compute_weight.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c deallocate_part.f90 -o deallocate_part.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c deallocate_phq.f90 -o deallocate_phq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2ionq.f90 -o d2ionq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2nsq_bare.f90 -o d2nsq_bare.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dnsq_bare.f90 -o dnsq_bare.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dnsq_orth_set_irr.f90 -o dnsq_orth_set_irr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dnsq_store.f90 -o dnsq_store.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c davcio_drho.f90 -o davcio_drho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c elph_scdft_mod.f90 -o elph_scdft_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c io_dyn_mat.f90 -o io_dyn_mat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c io_dyn_mat_old.f90 -o io_dyn_mat_old.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rigid.f90 -o rigid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drho.f90 -o drho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodv.f90 -o drhodv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodvloc.f90 -o drhodvloc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodvnl.f90 -o drhodvnl.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodvus.f90 -o drhodvus.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvanqq.f90 -o dvanqq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvkb3.f90 -o dvkb3.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvpsi_e.f90 -o dvpsi_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvqpsi_us.f90 -o dvqpsi_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvqpsi_us_only.f90 -o dvqpsi_us_only.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dyndia.f90 -o dyndia.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_us.f90 -o dynmat_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmatcc.f90 -o dynmatcc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_hub_bare.f90 -o dynmat_hub_bare.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_hub_scf.f90 -o dynmat_hub_scf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dwfc.f90 -o dwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvqhub_barepsi_us.f90 -o dvqhub_barepsi_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvqhub_barepsi_us2.f90 -o dvqhub_barepsi_us2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c delta_sphi.f90 -o delta_sphi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dpsi_orth.f90 -o dpsi_orth.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c el_ph_collect.f90 -o el_ph_collect.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c find_equiv_sites.f90 -o find_equiv_sites.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c find_mode_sym.f90 -o find_mode_sym.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c find_irrep.f90 -o find_irrep.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c generate_dynamical_matrix_c.f90 -o generate_dynamical_matrix_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c generate_effective_charges_c.f90 -o generate_effective_charges_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c gmressolve_all.f90 -o gmressolve_all.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c incdrhous.f90 -o incdrhous.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c incdrhous_nc.f90 -o incdrhous_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c initialize_ph.f90 -o initialize_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c io_pattern.f90 -o io_pattern.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c obsolete.f90 -o obsolete.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_hub.f90 -o write_hub.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_init.f90 -o phq_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_summary.f90 -o phq_summary.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ph_set_upert.f90 -o ph_set_upert.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c prepare_sym_analysis.f90 -o prepare_sym_analysis.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c psidspsi.f90 -o psidspsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c punch_plot_e.f90 -o punch_plot_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q2qstar_ph.f90 -o q2qstar_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c random_matrix.f90 -o random_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rotate_and_add_dyn.f90 -o rotate_and_add_dyn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rotate_pattern_add.f90 -o rotate_pattern_add.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_asr_c.f90 -o set_asr_c.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_drhoc.f90 -o set_drhoc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_int12_nc.f90 -o set_int12_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_irr.f90 -o set_irr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_irr_nosym.f90 -o set_irr_nosym.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_irr_sym.f90 -o set_irr_sym.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c setlocq.f90 -o setlocq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e_fpol.f90 -o solve_e_fpol.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c summarize.f90 -o summarize.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c symdyn_munu.f90 -o symdyn_munu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c symdynph_gq.f90 -o symdynph_gq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c symm.f90 -o symm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c symmorphic_or_nzb.f90 -o symmorphic_or_nzb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c swfc.f90 -o swfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c sym_dns_wrapper.f90 -o sym_dns_wrapper.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c transform_int_so.f90 -o transform_int_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c transform_int_nc.f90 -o transform_int_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c transform_alphasum_nc.f90 -o transform_alphasum_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c transform_alphasum_so.f90 -o transform_alphasum_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c tra_write_matrix.f90 -o tra_write_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c trntnsc.f90 -o trntnsc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_eigenvectors.f90 -o write_eigenvectors.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_epsilon_and_zeu.f90 -o write_epsilon_and_zeu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_qplot_data.f90 -o write_qplot_data.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_matrix.f90 -o write_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_modes.f90 -o write_modes.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c zstar_eu_us.f90 -o zstar_eu_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c psyme2.f90 -o psyme2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c chi_test.f90 -o chi_test.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dielec_test.f90 -o dielec_test.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvpsi_e2.f90 -o dvpsi_e2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c hdiag.f90 -o hdiag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c pcgreen.f90 -o pcgreen.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c syme2.f90 -o syme2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e_nscf.f90 -o solve_e_nscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_ramtns.f90 -o write_ramtns.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2mxc.f90 -o d2mxc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c raman_mat.f90 -o raman_mat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dhdrhopsi.f90 -o dhdrhopsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c set_dvscf.f90 -o set_dvscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c add_dkmds.f90 -o add_dkmds.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c add_zstar_ue.f90 -o add_zstar_ue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c add_zstar_ue_us.f90 -o add_zstar_ue_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c addcore.f90 -o addcore.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_nlcc.f90 -o dynmat_nlcc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c addnlcc_zstar_eu_us.f90 -o addnlcc_zstar_eu_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c addusddens_pulay.f90 -o addusddens_pulay.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c addusdynmat.f90 -o addusdynmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c allocate_part.f90 -o allocate_part.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c allocate_pert.f90 -o allocate_pert.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c allocate_phq.f90 -o allocate_phq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c yambo.f90 -o yambo.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ahc.f90 -o ahc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvscf_interpolate.f90 -o dvscf_interpolate.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dfile_star.f90 -o dfile_star.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c elph_tetra_mod.f90 -o elph_tetra_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c check_if_partial_dyn.f90 -o check_if_partial_dyn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ph_restart.f90 -o ph_restart.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c save_ph_input.f90 -o save_ph_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dnsq_orth.f90 -o dnsq_orth.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c do_q2r.f90 -o do_q2r.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c ep_matrix_element_wannier.f90 -o ep_matrix_element_wannier.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c openfilq.f90 -o openfilq.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phescf.f90 -o phescf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_recover.f90 -o phq_recover.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c polariz.f90 -o polariz.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c print_clock_ph.f90 -o print_clock_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c prepare_q.f90 -o prepare_q.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q_points_wannier.f90 -o q_points_wannier.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c read_wfc_rspace_and_fwfft.f90 -o read_wfc_rspace_and_fwfft.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rotate_dvscf_star.f90 -o rotate_dvscf_star.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c run_nscf.f90 -o run_nscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c stop_ph.f90 -o stop_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c sym_and_write_zue.f90 -o sym_and_write_zue.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c zstar_eu.f90 -o zstar_eu.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dump_drho.f90 -o dump_drho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c el_opt.f90 -o el_opt.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c raman.f90 -o raman.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c bcast_ph_input.f90 -o bcast_ph_input.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c check_initial_status.f90 -o check_initial_status.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c clean_pw_ph.f90 -o clean_pw_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c write_rec.f90 -o write_rec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2ionq_disp.f90 -o d2ionq_disp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dielec.f90 -o dielec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c do_phonon.f90 -o do_phonon.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat0.f90 -o dynmat0.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmatrix.f90 -o dynmatrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c elphon.f90 -o elphon.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c init_representations.f90 -o init_representations.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_readin.f90 -o phq_readin.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phq_setup.f90 -o phq_setup.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phqscf.f90 -o phqscf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q_points.f90 -o q_points.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e.f90 -o solve_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_linter.f90 -o solve_linter.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e2.f90 -o solve_e2.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c close_phq.f90 -o close_phq.o\nar ruv libph.a acfdtest.o add_dkmds.o add_for_charges.o add_zstar_ue.o add_zstar_ue_us.o addcore.o dynmat_nlcc.o addnlcc_zstar_eu_us.o addusddens_pulay.o addusdynmat.o allocate_part.o allocate_pert.o allocate_phq.o yambo.o ahc.o dvscf_interpolate.o bcast_ph_input.o cch_psi_all.o check_if_partial_dyn.o check_initial_status.o check_restart_recover.o clean_pw_ph.o clinear.o close_phq.o compute_alphasum.o compute_becalp.o compute_becsum_ph.o compute_drhous.o compute_drhous_nc.o compute_dvloc.o compute_nldyn.o compute_weight.o deallocate_part.o deallocate_phq.o d2ionq.o d2ionq_disp.o d2nsq_bare.o dnsq_bare.o dnsq_orth.o dnsq_orth_set_irr.o dnsq_store.o davcio_drho.o dfile_autoname.o dfile_star.o dielec.o do_phonon.o do_q2r.o drho.o drhodv.o drhodvloc.o drhodvnl.o drhodvus.o dvanqq.o dvkb3.o dvpsi_e.o dvqpsi_us.o dvqpsi_us_only.o dyndia.o dynmat0.o dynmat_us.o dynmatcc.o dynmatrix.o dynmat_hub_bare.o dynmat_hub_scf.o dwfc.o dvqhub_barepsi_us.o dvqhub_barepsi_us2.o delta_sphi.o dpsi_orth.o ep_matrix_element_wannier.o elph.o el_ph_collect.o elphon.o elph_scdft_mod.o elph_tetra_mod.o find_equiv_sites.o find_mode_sym.o find_irrep.o generate_dynamical_matrix_c.o generate_effective_charges_c.o gmressolve_all.o incdrhous.o incdrhous_nc.o initialize_ph.o init_representations.o io_dyn_mat.o io_dyn_mat_old.o io_pattern.o obsolete.o openfilq.o phcom.o ph_restart.o phescf.o phq_init.o phq_readin.o phq_recover.o phq_setup.o phq_summary.o phqscf.o ph_set_upert.o polariz.o print_clock_ph.o prepare_q.o prepare_sym_analysis.o psidspsi.o punch_plot_e.o q_points.o q_points_wannier.o q2qstar_ph.o random_matrix.o read_wfc_rspace_and_fwfft.o rigid.o rotate_dvscf_star.o rotate_and_add_dyn.o rotate_pattern_add.o run_nscf.o save_ph_input.o set_asr_c.o set_drhoc.o set_int12_nc.o set_irr.o set_irr_nosym.o set_irr_sym.o setlocq.o solve_e.o solve_e_fpol.o solve_linter.o stop_ph.o summarize.o sym_and_write_zue.o symdyn_munu.o symdynph_gq.o symm.o symmorphic_or_nzb.o swfc.o sym_dns_wrapper.o transform_int_so.o transform_int_nc.o transform_alphasum_nc.o transform_alphasum_so.o tra_write_matrix.o trntnsc.o write_eigenvectors.o write_epsilon_and_zeu.o write_qplot_data.o write_matrix.o write_modes.o write_rec.o write_hub.o zstar_eu.o zstar_eu_us.o dump_drho.o psyme2.o chi_test.o dielec_test.o dvpsi_e2.o el_opt.o hdiag.o pcgreen.o ramanm.o syme2.o solve_e2.o solve_e_nscf.o write_ramtns.o d2mxc.o raman_mat.o raman.o dhdrhopsi.o set_dvscf.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libph.a\na - acfdtest.o\na - add_dkmds.o\na - add_for_charges.o\na - add_zstar_ue.o\na - add_zstar_ue_us.o\na - addcore.o\na - dynmat_nlcc.o\na - addnlcc_zstar_eu_us.o\na - addusddens_pulay.o\na - addusdynmat.o\na - allocate_part.o\na - allocate_pert.o\na - allocate_phq.o\na - yambo.o\na - ahc.o\na - dvscf_interpolate.o\na - bcast_ph_input.o\na - cch_psi_all.o\na - check_if_partial_dyn.o\na - check_initial_status.o\na - check_restart_recover.o\na - clean_pw_ph.o\na - clinear.o\na - close_phq.o\na - compute_alphasum.o\na - compute_becalp.o\na - compute_becsum_ph.o\na - compute_drhous.o\na - compute_drhous_nc.o\na - compute_dvloc.o\na - compute_nldyn.o\na - compute_weight.o\na - deallocate_part.o\na - deallocate_phq.o\na - d2ionq.o\na - d2ionq_disp.o\na - d2nsq_bare.o\na - dnsq_bare.o\na - dnsq_orth.o\na - dnsq_orth_set_irr.o\na - dnsq_store.o\na - davcio_drho.o\na - dfile_autoname.o\na - dfile_star.o\na - dielec.o\na - do_phonon.o\na - do_q2r.o\na - drho.o\na - drhodv.o\na - drhodvloc.o\na - drhodvnl.o\na - drhodvus.o\na - dvanqq.o\na - dvkb3.o\na - dvpsi_e.o\na - dvqpsi_us.o\na - dvqpsi_us_only.o\na - dyndia.o\na - dynmat0.o\na - dynmat_us.o\na - dynmatcc.o\na - dynmatrix.o\na - dynmat_hub_bare.o\na - dynmat_hub_scf.o\na - dwfc.o\na - dvqhub_barepsi_us.o\na - dvqhub_barepsi_us2.o\na - delta_sphi.o\na - dpsi_orth.o\na - ep_matrix_element_wannier.o\na - elph.o\na - el_ph_collect.o\na - elphon.o\na - elph_scdft_mod.o\na - elph_tetra_mod.o\na - find_equiv_sites.o\na - find_mode_sym.o\na - find_irrep.o\na - generate_dynamical_matrix_c.o\na - generate_effective_charges_c.o\na - gmressolve_all.o\na - incdrhous.o\na - incdrhous_nc.o\na - initialize_ph.o\na - init_representations.o\na - io_dyn_mat.o\na - io_dyn_mat_old.o\na - io_pattern.o\na - obsolete.o\na - openfilq.o\na - phcom.o\na - ph_restart.o\na - phescf.o\na - phq_init.o\na - phq_readin.o\na - phq_recover.o\na - phq_setup.o\na - phq_summary.o\na - phqscf.o\na - ph_set_upert.o\na - polariz.o\na - print_clock_ph.o\na - prepare_q.o\na - prepare_sym_analysis.o\na - psidspsi.o\na - punch_plot_e.o\na - q_points.o\na - q_points_wannier.o\na - q2qstar_ph.o\na - random_matrix.o\na - read_wfc_rspace_and_fwfft.o\na - rigid.o\na - rotate_dvscf_star.o\na - rotate_and_add_dyn.o\na - rotate_pattern_add.o\na - run_nscf.o\na - save_ph_input.o\na - set_asr_c.o\na - set_drhoc.o\na - set_int12_nc.o\na - set_irr.o\na - set_irr_nosym.o\na - set_irr_sym.o\na - setlocq.o\na - solve_e.o\na - solve_e_fpol.o\na - solve_linter.o\na - stop_ph.o\na - summarize.o\na - sym_and_write_zue.o\na - symdyn_munu.o\na - symdynph_gq.o\na - symm.o\na - symmorphic_or_nzb.o\na - swfc.o\na - sym_dns_wrapper.o\na - transform_int_so.o\na - transform_int_nc.o\na - transform_alphasum_nc.o\na - transform_alphasum_so.o\na - tra_write_matrix.o\na - trntnsc.o\na - write_eigenvectors.o\na - write_epsilon_and_zeu.o\na - write_qplot_data.o\na - write_matrix.o\na - write_modes.o\na - write_rec.o\na - write_hub.o\na - zstar_eu.o\na - zstar_eu_us.o\na - dump_drho.o\na - psyme2.o\na - chi_test.o\na - dielec_test.o\na - dvpsi_e2.o\na - el_opt.o\na - hdiag.o\na - pcgreen.o\na - ramanm.o\na - syme2.o\na - solve_e2.o\na - solve_e_nscf.o\na - write_ramtns.o\na - d2mxc.o\na - raman_mat.o\na - raman.o\na - dhdrhopsi.o\na - set_dvscf.o\nranlib libph.a\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon'\nif test -d PHonon; then \\\n( cd PHonon; make all || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon'\n( cd PH ; make phlibs || exit 1 )\n( cd Gamma ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/Gamma'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cgcom.f90 -o cgcom.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cgsolve.f90 -o cgsolve.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c d2ion.f90 -o d2ion.o\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[2]: Nothing to be done for 'phlibs'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\n( cd PH ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phonon.f90 -o phonon.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat.f90 -o dynmat.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dgradcorr.f90 -o dgradcorr.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dielec.f90 -o dielec.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c matdyn.f90 -o matdyn.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c drhodv.f90 -o drhodv.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q2r.f90 -o q2r.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c lambda.f90 -o lambda.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvb_cc.f90 -o dvb_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvpsi_e.f90 -o dvpsi_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvpsi_kb.f90 -o dvpsi_kb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c fqha.f90 -o fqha.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dyndiar.f90 -o dyndiar.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c q2qstar.f90 -o q2qstar.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c alpha2f.f90 -o alpha2f.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmat_init.f90 -o dynmat_init.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dynmatcc.f90 -o dynmatcc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c find_equiv_sites.f90 -o find_equiv_sites.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c epa.f90 -o epa.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c generate_dynamical_matrix.f90 -o generate_dynamical_matrix.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c generate_effective_charges.f90 -o generate_effective_charges.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c dvscf_q2r.f90 -o dvscf_q2r.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c postahc.f90 -o postahc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c h_h.f90 -o h_h.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c macro.f90 -o macro.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c rhod2vkb.f90 -o rhod2vkb.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_e.f90 -o solve_e.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c solve_ph.f90 -o solve_ph.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c writedyn.f90 -o writedyn.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ph.x phonon.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c phcg.f90 -o phcg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c a_h.f90 -o a_h.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o dynmat.x dynmat.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/ph.x . )\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cg_readin.f90 -o cg_readin.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o q2r.x q2r.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../dft-d3 -I../../LR_Modules -c cg_setup.f90 -o cg_setup.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o lambda.x lambda.o \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nar ruv libphcg.a a_h.o cg_readin.o cg_setup.o cgcom.o cgsolve.o d2ion.o dgradcorr.o dielec.o drhodv.o dvb_cc.o dvpsi_e.o dvpsi_kb.o dyndiar.o dynmat_init.o dynmatcc.o find_equiv_sites.o generate_dynamical_matrix.o generate_effective_charges.o h_h.o macro.o rhod2vkb.o solve_e.o solve_ph.o writedyn.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libphcg.a\na - a_h.o\na - cg_readin.o\na - cg_setup.o\na - cgcom.o\na - cgsolve.o\na - d2ion.o\na - dgradcorr.o\na - dielec.o\na - drhodv.o\na - dvb_cc.o\na - dvpsi_e.o\na - dvpsi_kb.o\na - dyndiar.o\na - dynmat_init.o\na - dynmatcc.o\na - find_equiv_sites.o\na - generate_dynamical_matrix.o\na - generate_effective_charges.o\na - h_h.o\na - macro.o\na - rhod2vkb.o\na - solve_e.o\na - solve_ph.o\na - writedyn.o\nranlib libphcg.a\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o phcg.x \\\n\tphcg.o libphcg.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a ../../LR_Modules/liblrmod.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/dynmat.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o fqha.x fqha.o \\\n ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/q2r.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o q2qstar.x q2qstar.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/lambda.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o alpha2f.x alpha2f.o libph.a \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/fqha.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o epa.x epa.o libph.a \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/Gamma/phcg.x . )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/Gamma'\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o dvscf_q2r.x dvscf_q2r.o libph.a \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/q2qstar.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o postahc.x postahc.o \\\n ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/epa.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o matdyn.x matdyn.o libph.a \\\n\t ../../LR_Modules/liblrmod.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PHonon/PH/alpha2f.x . )\n( cd ../../bin ; ln -fs ../PHonon/PH/dvscf_q2r.x . )\n( cd ../../bin ; ln -fs ../PHonon/PH/postahc.x . )\n( cd ../../bin ; ln -fs ../PHonon/PH/matdyn.x . )\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon'\ntest -d bin || mkdir bin\n( cd UtilXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libdevx || exit 1 )\n( cd FFTXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libmbd || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/devxlib/make_devx; then \\\nmkdir -p /kaggle/working/q-e-qe-7.6/devxlib/src ; \\\ncd /kaggle/working/q-e-qe-7.6/external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.6/make.inc ../; \\\n( make all && touch /kaggle/working/q-e-qe-7.6/devxlib/make_devx ) ; \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/devxlib/src/ ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\n( cd src ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\n( cd XClib ; make all || exit 1 )\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/MBD/make_mbd; then \\\n mkdir /kaggle/working/q-e-qe-7.6/MBD; \\\n cd /kaggle/working/q-e-qe-7.6/external/mbd/src; \\\n export FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include \"; \\\n (make -f ../../mbd.make && touch /kaggle/working/q-e-qe-7.6/MBD/make_mbd); \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/MBD; fi\n( cd LAXlib ; make all || exit 1 )\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\n( cd upflib ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/LAXlib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/LAXlib'\n( cd KS_Solvers ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/upflib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/upflib'\n( cd Modules ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/Modules'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/Modules'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\n( cd dft-d3 ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nif test -d Direct ; then \\\n ( cd Direct ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d PW ; then \\\n( cd PW ; make pwlibs || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[2]: 'libpw.a' is up to date.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\nif test -d PP ; then \\\n( cd PP ; make all || exit 1 ) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PP'\nif test -d src ; then \\\n( cd src ; make || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PP/src'\nif test -n \"pwlibs\" ; then \\\n( cd /kaggle/working/q-e-qe-7.6 ; make pwlibs || exit 1 ) ; fi\nmake[3]: Entering directory '/kaggle/working/q-e-qe-7.6'\ntest -d bin || mkdir bin\n( cd UtilXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libdevx || exit 1 )\n( cd FFTXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libmbd || exit 1 )\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[4]: Nothing to be done for 'all'.\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/devxlib/make_devx; then \\\nmkdir -p /kaggle/working/q-e-qe-7.6/devxlib/src ; \\\ncd /kaggle/working/q-e-qe-7.6/external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.6/make.inc ../; \\\n( make all && touch /kaggle/working/q-e-qe-7.6/devxlib/make_devx ) ; \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/devxlib/src/ ; fi\n( cd XClib ; make all || exit 1 )\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\n( cd src ; make all || exit 1 )\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/MBD/make_mbd; then \\\n mkdir /kaggle/working/q-e-qe-7.6/MBD; \\\n cd /kaggle/working/q-e-qe-7.6/external/mbd/src; \\\n export FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include \"; \\\n (make -f ../../mbd.make && touch /kaggle/working/q-e-qe-7.6/MBD/make_mbd); \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/MBD; fi\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\n( cd LAXlib ; make all || exit 1 )\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[4]: Nothing to be done for 'all'.\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[5]: Nothing to be done for 'all'.\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\n( cd upflib ; make all || exit 1 )\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/LAXlib'\nmake[4]: Nothing to be done for 'all'.\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/LAXlib'\n( cd KS_Solvers ; make all || exit 1 )\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/upflib'\nmake[4]: Nothing to be done for 'all'.\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/upflib'\n( cd Modules ; make all || exit 1 )\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nmake[5]: Nothing to be done for 'all'.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nmake[5]: Nothing to be done for 'all'.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/Modules'\nmake[4]: Nothing to be done for 'all'.\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/Modules'\n( cd dft-d3 ; make all || exit 1 )\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nmake[5]: Nothing to be done for 'all'.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[4]: Nothing to be done for 'all'.\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nmake[5]: Nothing to be done for 'all'.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nmake[5]: Nothing to be done for 'all'.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nmake[5]: Nothing to be done for 'all'.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nif test -d Direct ; then \\\n ( cd Direct ; make all || exit 1 ) ; fi\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nmake[5]: Nothing to be done for 'all'.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d PW ; then \\\n( cd PW ; make pwlibs || exit 1) ; fi\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[5]: 'libpw.a' is up to date.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\nmake[3]: Leaving directory '/kaggle/working/q-e-qe-7.6'\nmake all\nmake[3]: Entering directory '/kaggle/working/q-e-qe-7.6/PP/src'\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c open_grid.f90 -o open_grid.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c adduscore.f90 -o adduscore.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c addusdens1d.f90 -o addusdens1d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c add_shift_cc.f90 -o add_shift_cc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c add_shift_lc.f90 -o add_shift_lc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c add_shift_us.f90 -o add_shift_us.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c wannier_mod.f90 -o wannier_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c fft_interpolation_mod.f90 -o fft_interpolation_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c chdens_bspline.f90 -o chdens_bspline.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c chdens_bspline_sphere.f90 -o chdens_bspline_sphere.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c compute_ppsi.f90 -o compute_ppsi.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c compute_sigma_avg.f90 -o compute_sigma_avg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c cube.f90 -o cube.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c dosg.f90 -o dosg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c do_initial_state.f90 -o do_initial_state.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c do_shift_ew.f90 -o do_shift_ew.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c d_matrix_nc.f90 -o d_matrix_nc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c d_matrix_so.f90 -o d_matrix_so.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c elf.f90 -o elf.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c fermisurfer_common.f90 -o fermisurfer_common.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c ggen1d.f90 -o ggen1d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c local_dos.f90 -o local_dos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c local_dos_mag.f90 -o local_dos_mag.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c local_dos1d.f90 -o local_dos1d.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c openfil_pp.f90 -o openfil_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c projections_mod.f90 -o projections_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c paw_postproc.f90 -o paw_postproc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c projwfc_box.f90 -o projwfc_box.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c punch_rism.f90 -o punch_rism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c read_proj.f90 -o read_proj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c smallgk.f90 -o smallgk.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c stm.f90 -o stm.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c stop_pp.f90 -o stop_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c sum_band_kin.f90 -o sum_band_kin.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c sym_band.f90 -o sym_band.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c vasp_read_chgcar_mod.f90 -o vasp_read_chgcar_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c wannier_proj.f90 -o wannier_proj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c wannier_enrg.f90 -o wannier_enrg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c work_function.f90 -o work_function.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c write_p_avg.f90 -o write_p_avg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c write_proj.f90 -o write_proj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c write_io_header.f90 -o write_io_header.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c write_hamiltonians.f90 -o write_hamiltonians.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c globalmod.f90 -o globalmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c hubbard_projectors.f90 -o hubbard_projectors.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c oscdft_pp_mod.f90 -o oscdft_pp_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c xc_vdW_scale_mod.f90 -o xc_vdW_scale_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c average.f90 -o average.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c bands.f90 -o bands.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c dos.f90 -o dos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c epsilon.f90 -o epsilon.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c initial_state.f90 -o initial_state.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c fermisurface.f90 -o fermisurface.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c plan_avg.f90 -o plan_avg.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c plotband.f90 -o plotband.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c plotproj.f90 -o plotproj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c plotrho.f90 -o plotrho.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c poormanwannier.f90 -o poormanwannier.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c projwfc.f90 -o projwfc.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c pawplot.f90 -o pawplot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c sumpdos.f90 -o sumpdos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c pw2wannier90.f90 -o pw2wannier90.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c pw2critic.f90 -o pw2critic.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c pw2gw.f90 -o pw2gw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c pw2gt.f90 -o pw2gt.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c wannier_ham.f90 -o wannier_ham.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c wannier_plot.f90 -o wannier_plot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c molecularpdos.f90 -o molecularpdos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c pw2bgw.f90 -o pw2bgw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c wfck2r.f90 -o wfck2r.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c fermi_velocity.f90 -o fermi_velocity.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c fermi_proj.f90 -o fermi_proj.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c postrism.f90 -o postrism.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c d3hess.f90 -o d3hess.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c wannier2pw.f90 -o wannier2pw.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c oscdft_pp.f90 -o oscdft_pp.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c chdens_module.f90 -o chdens_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c partialdos.f90 -o partialdos.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c punch_plot.f90 -o punch_plot.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c vasp_xml_module.f90 -o vasp_xml_module.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c fouriermod.f90 -o fouriermod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c idwmod.f90 -o idwmod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c oscdft_et_mod.f90 -o oscdft_et_mod.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c band_interpolation.f90 -o band_interpolation.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c postproc.f90 -o postproc.o\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o sumpdos.x sumpdos.o ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c ppacf.f90 -o ppacf.o\n( cd ../../bin ; ln -fs ../PP/src/sumpdos.x . )\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c oscdft_et.f90 -o oscdft_et.o\nnvfortran -fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include -I/kaggle/working/q-e-qe-7.6/Modules -I/kaggle/working/q-e-qe-7.6/upflib -I/kaggle/working/q-e-qe-7.6/XClib -I/kaggle/working/q-e-qe-7.6/FFTXlib/src -I/kaggle/working/q-e-qe-7.6/LAXlib -I/kaggle/working/q-e-qe-7.6/UtilXlib -I/kaggle/working/q-e-qe-7.6/MBD -I/kaggle/working/q-e-qe-7.6/KS_Solvers -I../../PW/src -I../../Modules/ -I../../dft-d3/ -c solvdens.f90 -o solvdens.o\nar ruv libpp.a adduscore.o addusdens1d.o add_shift_cc.o add_shift_lc.o add_shift_us.o wannier_mod.o chdens_module.o chdens_bspline.o chdens_bspline_sphere.o compute_ppsi.o compute_sigma_avg.o cube.o dosg.o do_initial_state.o do_shift_ew.o d_matrix_nc.o d_matrix_so.o elf.o fermisurfer_common.o ggen1d.o local_dos.o local_dos_mag.o local_dos1d.o openfil_pp.o partialdos.o paw_postproc.o projections_mod.o projwfc_box.o punch_plot.o punch_rism.o read_proj.o smallgk.o solvdens.o stm.o stop_pp.o sum_band_kin.o sym_band.o vasp_read_chgcar_mod.o vasp_xml_module.o wannier_proj.o wannier_enrg.o work_function.o write_p_avg.o write_proj.o write_io_header.o write_hamiltonians.o globalmod.o fouriermod.o idwmod.o hubbard_projectors.o oscdft_pp_mod.o oscdft_et_mod.o xc_vdW_scale_mod.o fft_interpolation_mod.o\nar: `u' modifier ignored since `D' is the default (see `U')\nar: creating libpp.a\na - adduscore.o\na - addusdens1d.o\na - add_shift_cc.o\na - add_shift_lc.o\na - add_shift_us.o\na - wannier_mod.o\na - chdens_module.o\na - chdens_bspline.o\na - chdens_bspline_sphere.o\na - compute_ppsi.o\na - compute_sigma_avg.o\na - cube.o\na - dosg.o\na - do_initial_state.o\na - do_shift_ew.o\na - d_matrix_nc.o\na - d_matrix_so.o\na - elf.o\na - fermisurfer_common.o\na - ggen1d.o\na - local_dos.o\na - local_dos_mag.o\na - local_dos1d.o\na - openfil_pp.o\na - partialdos.o\na - paw_postproc.o\na - projections_mod.o\na - projwfc_box.o\na - punch_plot.o\na - punch_rism.o\na - read_proj.o\na - smallgk.o\na - solvdens.o\na - stm.o\na - stop_pp.o\na - sum_band_kin.o\na - sym_band.o\na - vasp_read_chgcar_mod.o\na - vasp_xml_module.o\na - wannier_proj.o\na - wannier_enrg.o\na - work_function.o\na - write_p_avg.o\na - write_proj.o\na - write_io_header.o\na - write_hamiltonians.o\na - globalmod.o\na - fouriermod.o\na - idwmod.o\na - hubbard_projectors.o\na - oscdft_pp_mod.o\na - oscdft_et_mod.o\na - xc_vdW_scale_mod.o\na - fft_interpolation_mod.o\nranlib libpp.a\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o open_grid.x \\\n\topen_grid.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o average.x \\\n\taverage.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/average.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o bands.x \\\n\tbands.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/open_grid.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o band_interpolation.x \\\n\tband_interpolation.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o dos.x \\\n\tdos.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/bands.x . )\n( cd ../../bin ; ln -fs ../PP/src/band_interpolation.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o epsilon.x epsilon.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a \\\n -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o initial_state.x \\\n\tinitial_state.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a \\\n\t -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/dos.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o fs.x \\\n\tfermisurface.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/initial_state.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o plan_avg.x \\\n\tplan_avg.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a \\\n\t -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/epsilon.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o plotband.x \\\n\tplotband.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/fs.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o plotproj.x \\\n\tplotproj.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o plotrho.x \\\n\tplotrho.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/plotband.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pmw.x \\\n\tpoormanwannier.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a \\\n\t -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/plan_avg.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pp.x \\\n\tpostproc.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a \\\n\t -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/plotproj.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o projwfc.x \\\n\tprojwfc.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/plotrho.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pawplot.x \\\n\tpawplot.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/pmw.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pw2wannier90.x \\\n\tpw2wannier90.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/pp.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pw2critic.x \\\n\tpw2critic.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/projwfc.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pw2gw.x \\\n\tpw2gw.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pw2gt.x \\\n\tpw2gt.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/pw2wannier90.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o wannier_ham.x \\\nwannier_ham.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/pw2critic.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o wannier_plot.x \\\nwannier_plot.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/pw2gw.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o molecularpdos.x \\\n\tmolecularpdos.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pw2bgw.x \\\n\tpw2bgw.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/wannier_ham.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o wfck2r.x \\\n\twfck2r.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/molecularpdos.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o fermi_velocity.x \\\n\tfermi_velocity.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/wannier_plot.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o fermi_proj.x \\\n\tfermi_proj.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/pw2bgw.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o ppacf.x \\\n\tppacf.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/wfck2r.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o pprism.x \\\n\tpostrism.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/fermi_velocity.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o d3hess.x \\\n\td3hess.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/fermi_proj.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o wannier2pw.x \\\n\twannier2pw.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/ppacf.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o oscdft_pp.x \\\n\toscdft_pp.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/pprism.x . )\nnvfortran -cuda -gpu=cc60,cuda12.6 -acc -o oscdft_et.x \\\n\toscdft_et.o libpp.a ../../PW/src/libpw.a ../../KS_Solvers/libks_solvers.a ../../dft-d3/libdftd3qe.a /kaggle/working/q-e-qe-7.6/Modules/libqemod.a /kaggle/working/q-e-qe-7.6/upflib/libupf.a /kaggle/working/q-e-qe-7.6/XClib/xc_lib.a /kaggle/working/q-e-qe-7.6/FFTXlib/src/libqefft.a /kaggle/working/q-e-qe-7.6/LAXlib/libqela.a /kaggle/working/q-e-qe-7.6/UtilXlib/libutil.a /kaggle/working/q-e-qe-7.6/MBD/libmbd.a -cudalib=cufft,cublas,cusolver,curand -L/kaggle/working/q-e-qe-7.6/devxlib/src -ldevXlib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \n( cd ../../bin ; ln -fs ../PP/src/d3hess.x . )\n( cd ../../bin ; ln -fs ../PP/src/wannier2pw.x . )\n( cd ../../bin ; ln -fs ../PP/src/oscdft_pp.x . )\n( cd ../../bin ; ln -fs ../PP/src/oscdft_et.x . )\nmake[3]: Leaving directory '/kaggle/working/q-e-qe-7.6/PP/src'\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PP/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PP'\n","output_type":"stream"}],"execution_count":7},{"cell_type":"markdown","source":"Below code runs QE and the analysis.","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > run_qe.sh << 'EOF'\n#!/bin/bash\nexport CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\nexec /kaggle/working/q-e-qe-7.6/bin/pw.x -nb 4 -in input.in > output.out\nEOF\nchmod +x run_qe.sh\nmpirun --allow-run-as-root -np 2 \\\n --bind-to none \\\n ./run_qe.sh || true","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-17T08:52:42.816416Z","iopub.execute_input":"2026-08-17T08:52:42.817259Z","execution_failed":"2026-08-17T10:21:28.132Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Check outputs for any errors(saves a lot of time compared to trying to use mpirun failure codes which are random and do not make sense)","metadata":{}},{"cell_type":"code","source":"!cat output.out","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-17T08:52:03.03069Z","iopub.execute_input":"2026-08-17T08:52:03.031107Z","iopub.status.idle":"2026-08-17T08:52:03.270739Z","shell.execute_reply.started":"2026-08-17T08:52:03.031077Z","shell.execute_reply":"2026-08-17T08:52:03.269837Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"\n Program PWSCF v.7.6 starts on 17Aug2026 at 6:33:25 \n\n This program is part of the open-source Quantum ESPRESSO suite\n for quantum simulation of materials; please cite\n \"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);\n \"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);\n \"P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);\n URL http://www.quantum-espresso.org\", \n in publications or presentations arising from this work. More details at\n http://www.quantum-espresso.org/quote\n\n Serial version\n 5080 MiB available memory on the printing compute node when the environment starts\n \n Reading input from input.in\n\n Current dimensions of program PWSCF are:\n Max number of different atomic species (ntypx) = 10\n Max number of k-points (npk) = 40000\n Max angular momentum in pseudopotentials (lmaxx) = 4\n Stress calculation not meaningful in isolated systems\n\n file N.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S renormalized\n file O.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S 2P renormalized\n file C.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S 2P renormalized\n\n IMPORTANT: XC functional enforced from input :\n Exchange-correlation= PBE\n ( 1 4 3 4 0 0 0)\n Any further DFT definition will be discarded\n Please, verify this is what you really want\n\n\n gamma-point specific algorithms are used\n \n \n G-vector sticks info\n --------------------\n sticks: dense smooth PW G-vecs: dense smooth PW\n Sum 40945 20461 5129 6227117 2201421 274961\n \n Using Slab Decomposition\n \n\n\n bravais-lattice index = 0\n lattice parameter (alat) = 37.7945 a.u.\n unit-cell volume = 53986.6760 (a.u.)^3\n number of atoms/cell = 50\n number of atomic types = 3\n number of electrons = 268.00\n number of Kohn-Sham states= 161\n kinetic-energy cutoff = 45.0000 Ry\n charge density cutoff = 360.0000 Ry\n scf convergence threshold = 1.0E-08\n mixing beta = 0.3000\n number of iterations used = 8 local-TF mixing\n energy convergence thresh.= 1.0E-04\n force convergence thresh. = 1.0E-03\n Exchange-correlation= PBE\n ( 1 4 3 4 0 0 0)\n nstep = 50\n\n\n GPU acceleration is ACTIVE. 1 visible GPUs per MPI rank\n\n Assuming isolated system, Martyna-Tuckerman method\n\n\n celldm(1)= 37.794522 celldm(2)= 0.000000 celldm(3)= 0.000000\n celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000\n\n crystal axes: (cart. coord. in units of alat)\n a(1) = ( 1.000000 0.000000 0.000000 ) \n a(2) = ( 0.000000 1.000000 0.000000 ) \n a(3) = ( 0.000000 0.000000 1.000000 ) \n\n reciprocal axes: (cart. coord. in units 2 pi/alat)\n b(1) = ( 1.000000 0.000000 0.000000 ) \n b(2) = ( 0.000000 1.000000 0.000000 ) \n b(3) = ( 0.000000 0.000000 1.000000 ) \n\n\n PseudoPot. # 1 for N read from file:\n ./pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF\n MD5 check sum: 14c48229446f9f2d411169a3abcbc3fa\n Pseudo is Projector augmented-wave + core cor, Zval = 5.0\n Generated using "atomic" code by A. Dal Corso v.6.3\n Shape of augmentation charge: PSQ\n Using radial grid of 1085 points, 4 beta functions with: \n l(1) = 0\n l(2) = 0\n l(3) = 1\n l(4) = 1\n Q(r) pseudized with 0 coefficients \n\n\n PseudoPot. # 2 for O read from file:\n ./pseudo/O.pbe-n-kjpaw_psl.1.0.0.UPF\n MD5 check sum: e99d9cef9b487d1ca56f5b95ecd0fd7a\n Pseudo is Projector augmented-wave + core cor, Zval = 6.0\n Generated using "atomic" code by A. Dal Corso v.6.3\n Shape of augmentation charge: PSQ\n Using radial grid of 1095 points, 4 beta functions with: \n l(1) = 0\n l(2) = 0\n l(3) = 1\n l(4) = 1\n Q(r) pseudized with 0 coefficients \n\n\n PseudoPot. # 3 for C read from file:\n ./pseudo/C.pbe-n-kjpaw_psl.1.0.0.UPF\n MD5 check sum: 5f16ad9a65e90284d1d834d4ab3b0f7d\n Pseudo is Projector augmented-wave + core cor, Zval = 4.0\n Generated using "atomic" code by A. Dal Corso v.6.3\n Shape of augmentation charge: PSQ\n Using radial grid of 1073 points, 4 beta functions with: \n l(1) = 0\n l(2) = 0\n l(3) = 1\n l(4) = 1\n Q(r) pseudized with 0 coefficients \n\n\n atomic species valence mass pseudopotential\n N 5.00 14.00700 N ( 1.00)\n O 6.00 16.00000 O ( 1.00)\n C 4.00 12.00000 C ( 1.00)\n\n No symmetry found\n\n\n\n Cartesian axes\n\n site n. atom positions (alat units)\n 1 N tau( 1) = ( 0.6031709 0.4985235 0.4576332 )\n 2 N tau( 2) = ( 0.5641571 0.5146391 0.3985065 )\n 3 O tau( 3) = ( 0.5091674 0.4857130 0.4181083 )\n 4 O tau( 4) = ( 0.5733220 0.5449695 0.3416440 )\n 5 N tau( 5) = ( 0.6408975 0.4362257 0.4597178 )\n 6 N tau( 6) = ( 0.6166108 0.3834178 0.5034224 )\n 7 O tau( 7) = ( 0.6276230 0.3872306 0.5675783 )\n 8 O tau( 8) = ( 0.5919034 0.3320110 0.4719481 )\n 9 N tau( 9) = ( 0.7126608 0.4393203 0.4480621 )\n 10 N tau( 10) = ( 0.7330660 0.4491674 0.3785810 )\n 11 O tau( 11) = ( 0.7258475 0.5045888 0.3450511 )\n 12 O tau( 12) = ( 0.7582813 0.3939548 0.3549774 )\n 13 N tau( 13) = ( 0.7533721 0.4673445 0.5023128 )\n 14 N tau( 14) = ( 0.8124156 0.4244901 0.5135842 )\n 15 N tau( 15) = ( 0.7988868 0.3525484 0.5145802 )\n 16 O tau( 16) = ( 0.8377133 0.3363941 0.4648053 )\n 17 O tau( 17) = ( 0.7651065 0.3107252 0.5514158 )\n 18 N tau( 18) = ( 0.8591419 0.4468041 0.5657650 )\n 19 N tau( 19) = ( 0.8572055 0.4108948 0.6292783 )\n 20 O tau( 20) = ( 0.8813819 0.3520830 0.6436657 )\n 21 O tau( 21) = ( 0.8376307 0.4554113 0.6725576 )\n 22 C tau( 22) = ( 0.9263430 0.4602795 0.5387469 )\n 23 N tau( 23) = ( 0.9735766 0.4097284 0.5134147 )\n 24 N tau( 24) = ( 0.9836145 0.4500192 0.4512994 )\n 25 N tau( 25) = ( 1.0379943 0.4878188 0.4852705 )\n 26 N tau( 26) = ( 0.9898337 0.5388057 0.5100684 )\n 27 N tau( 27) = ( 0.9796513 0.4985316 0.5721617 )\n 28 N tau( 28) = ( 1.0279994 0.4480134 0.5466734 )\n 29 C tau( 29) = ( 0.9364903 0.5007138 0.4764064 )\n 30 N tau( 30) = ( 0.8797586 0.5296544 0.4393427 )\n 31 N tau( 31) = ( 0.8966825 0.5625328 0.3763921 )\n 32 O tau( 32) = ( 0.9374765 0.6124183 0.3665249 )\n 33 O tau( 33) = ( 0.8724417 0.5236676 0.3301342 )\n 34 N tau( 34) = ( 0.8330594 0.5649718 0.4838136 )\n 35 N tau( 35) = ( 0.8381404 0.6379468 0.4799809 )\n 36 O tau( 36) = ( 0.8215288 0.6852030 0.4383746 )\n 37 O tau( 37) = ( 0.8715295 0.6462101 0.5353635 )\n 38 N tau( 38) = ( 0.7639921 0.5389128 0.4861506 )\n 39 N tau( 39) = ( 0.7250760 0.5775592 0.5349037 )\n 40 N tau( 40) = ( 0.7335998 0.5647357 0.6063269 )\n 41 O tau( 41) = ( 0.7674839 0.6127177 0.6344187 )\n 42 O tau( 42) = ( 0.7069255 0.5141708 0.6376165 )\n 43 N tau( 43) = ( 0.6581656 0.5973889 0.5142587 )\n 44 N tau( 44) = ( 0.6536205 0.6514426 0.4658215 )\n 45 O tau( 45) = ( 0.6713883 0.6498637 0.4031548 )\n 46 O tau( 46) = ( 0.6363926 0.7044814 0.4994931 )\n 47 N tau( 47) = ( 0.6067341 0.5458496 0.5127702 )\n 48 N tau( 48) = ( 0.5513454 0.5501723 0.5596953 )\n 49 O tau( 49) = ( 0.5046879 0.5926372 0.5433821 )\n 50 O tau( 50) = ( 0.5550405 0.5173798 0.6158853 )\n\n --------------------------------------------\n DFT-D3 Dispersion Correction (no 3-body):\n --------------------------------------------\n Reference C6 values for interpolation: \n\n atom Coordination number C6\n C 0.000 98.23\n C 0.987 86.49\n C 1.998 58.72\n C 2.999 51.56\n C 3.984 36.41\n N 0.000 50.54\n N 0.994 44.25\n N 2.014 39.35\n N 2.990 31.16\n O 0.000 31.01\n O 0.993 25.63\n O 1.989 20.74\n\n Values used:\n\n atom Coordination number R0_AB[au] C6 C8\n N 3.183 2.478 31.20 688.32\n N 3.031 2.478 31.28 690.16\n O 1.125 2.345 25.40 512.49\n O 1.020 2.345 25.59 516.39\n N 3.110 2.478 31.23 688.95\n N 3.037 2.478 31.28 690.05\n O 1.034 2.345 25.57 515.97\n O 1.037 2.345 25.56 515.86\n N 3.149 2.478 31.21 688.57\n N 3.039 2.478 31.28 690.00\n O 1.031 2.345 25.57 516.06\n O 1.048 2.345 25.54 515.50\n N 3.125 2.478 31.22 688.79\n N 3.201 2.478 31.20 688.21\n N 3.050 2.478 31.27 689.80\n O 1.114 2.345 25.42 513.00\n O 1.022 2.345 25.59 516.33\n N 3.138 2.478 31.22 688.66\n N 3.049 2.478 31.27 689.81\n O 1.026 2.345 25.58 516.22\n O 1.066 2.345 25.51 514.88\n C 4.875 2.750 36.41 1053.15\n N 3.548 2.478 31.17 687.54\n N 3.542 2.478 31.17 687.54\n N 3.630 2.478 31.16 687.52\n N 3.548 2.478 31.17 687.54\n N 3.542 2.478 31.17 687.54\n N 3.630 2.478 31.16 687.52\n C 4.874 2.750 36.41 1053.15\n N 3.136 2.478 31.22 688.67\n N 3.049 2.478 31.27 689.81\n O 1.026 2.345 25.58 516.22\n O 1.064 2.345 25.52 514.95\n N 3.203 2.478 31.20 688.19\n N 3.051 2.478 31.27 689.79\n O 1.022 2.345 25.59 516.33\n O 1.117 2.345 25.42 512.89\n N 3.125 2.478 31.22 688.78\n N 3.149 2.478 31.21 688.57\n N 3.040 2.478 31.28 689.99\n O 1.046 2.345 25.55 515.57\n O 1.032 2.345 25.57 516.03\n N 3.125 2.478 31.22 688.79\n N 3.038 2.478 31.28 690.03\n O 1.027 2.345 25.58 516.19\n O 1.058 2.345 25.53 515.16\n N 3.108 2.478 31.23 688.96\n N 3.032 2.478 31.28 690.15\n O 1.037 2.345 25.56 515.86\n O 1.032 2.345 25.57 516.02\n\n Molecular C6 ( Ry / a.u.^6 ) = 72547.62\n\n\n number of k points= 1 Gaussian smearing, width (Ry)= 0.0050\n cart. coord. in units 2pi/alat\n k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 2.0000000\n\n Dense grid: 3113559 G-vectors FFT dimensions: ( 240, 240, 240)\n\n Smooth grid: 1100711 G-vectors FFT dimensions: ( 162, 162, 162)\n\n Estimated max dynamical RAM per process > 9.34 GB\n\n Atomic positions and unit cell read from directory:\n ./tmp/calc.save/\n Atomic positions from file used, from input discarded\n \n\n Check: negative core charge= -0.000001\n\n The initial density is read from file :\n ./tmp/calc.save/charge-density\n\n\n negative rho (up, down): 2.800E-02 0.000E+00\n Starting wfcs from file\n\n total cpu time spent up to now is 10.0 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-05, avg # of iterations = 9.0\n\n negative rho (up, down): 2.911E-02 0.000E+00\n\n total cpu time spent up to now is 15.9 secs\n\n total energy = -1655.75578238 Ry\n estimated scf accuracy < 0.01187986 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.43E-06, avg # of iterations = 7.0\n\n negative rho (up, down): 2.908E-02 0.000E+00\n\n total cpu time spent up to now is 20.4 secs\n\n total energy = -1655.75628187 Ry\n estimated scf accuracy < 0.52857181 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.43E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.947E-02 0.000E+00\n\n total cpu time spent up to now is 24.6 secs\n\n total energy = -1655.76048645 Ry\n estimated scf accuracy < 0.00039634 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.48E-07, avg # of iterations = 16.0\n\n negative rho (up, down): 2.938E-02 0.000E+00\n\n total cpu time spent up to now is 31.4 secs\n\n total energy = -1655.76186999 Ry\n estimated scf accuracy < 0.00102832 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.48E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.913E-02 0.000E+00\n\n total cpu time spent up to now is 35.5 secs\n\n total energy = -1655.76184230 Ry\n estimated scf accuracy < 0.00027717 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.03E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.861E-02 0.000E+00\n\n total cpu time spent up to now is 39.7 secs\n\n total energy = -1655.76179498 Ry\n estimated scf accuracy < 0.00030612 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.03E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.851E-02 0.000E+00\n\n total cpu time spent up to now is 43.9 secs\n\n total energy = -1655.76182067 Ry\n estimated scf accuracy < 0.00019640 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.33E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.842E-02 0.000E+00\n\n total cpu time spent up to now is 48.1 secs\n\n total energy = -1655.76183172 Ry\n estimated scf accuracy < 0.00009650 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.60E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.831E-02 0.000E+00\n\n total cpu time spent up to now is 52.4 secs\n\n total energy = -1655.76183458 Ry\n estimated scf accuracy < 0.00015955 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.60E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 56.6 secs\n\n total energy = -1655.76184054 Ry\n estimated scf accuracy < 0.00014073 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.60E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 60.8 secs\n\n total energy = -1655.76184468 Ry\n estimated scf accuracy < 0.00000093 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.47E-10, avg # of iterations = 41.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 74.5 secs\n\n total energy = -1655.76187681 Ry\n estimated scf accuracy < 0.00000344 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.47E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 78.7 secs\n\n total energy = -1655.76187678 Ry\n estimated scf accuracy < 0.00000341 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.47E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 82.8 secs\n\n total energy = -1655.76187692 Ry\n estimated scf accuracy < 0.00000279 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.47E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 87.1 secs\n\n total energy = -1655.76187664 Ry\n estimated scf accuracy < 0.00000348 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.47E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 91.2 secs\n\n total energy = -1655.76187635 Ry\n estimated scf accuracy < 0.00000222 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.47E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 95.5 secs\n\n total energy = -1655.76187631 Ry\n estimated scf accuracy < 0.00000097 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.47E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 99.7 secs\n\n total energy = -1655.76187624 Ry\n estimated scf accuracy < 0.00000058 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.17E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 103.9 secs\n\n total energy = -1655.76187623 Ry\n estimated scf accuracy < 0.00000031 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.15E-10, avg # of iterations = 6.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 108.2 secs\n\n total energy = -1655.76187617 Ry\n estimated scf accuracy < 0.00000024 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.80E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 113.1 secs\n\n total energy = -1655.76187626 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.61E-11, avg # of iterations = 14.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 119.0 secs\n\n total energy = -1655.76187633 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.61E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 123.2 secs\n\n total energy = -1655.76187634 Ry\n estimated scf accuracy < 0.00000011 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.61E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 127.4 secs\n\n total energy = -1655.76187631 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.61E-11, avg # of iterations = 6.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 131.8 secs\n\n total energy = -1655.76187631 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.47E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 135.6 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8097 -32.7874 -32.7592 -32.7328 -32.6859 -32.5459 -32.2397 -32.1682\n -32.0351 -32.0056 -30.6623 -29.6244 -29.1933 -28.9562 -28.9146 -28.9127\n -28.9048 -28.8774 -28.7633 -28.5872 -28.5370 -28.4336 -28.1645 -28.1260\n -27.4363 -26.7965 -25.5296 -24.7923 -24.3574 -23.9862 -22.7962 -21.9074\n -20.6660 -19.2170 -18.6853 -18.1945 -17.6734 -17.3916 -17.3620 -17.2111\n -17.0770 -16.8978 -16.6126 -16.5887 -16.5555 -16.5230 -16.4390 -16.3784\n -15.6868 -15.6598 -15.4710 -15.2733 -15.1515 -15.0248 -14.9981 -14.8159\n -14.7077 -14.6345 -14.5788 -14.5486 -14.4838 -14.4769 -14.4312 -14.3574\n -14.2980 -14.2605 -14.2459 -14.2307 -14.2025 -14.1505 -14.0556 -14.0411\n -14.0254 -13.9974 -13.9768 -13.8662 -13.8159 -13.8013 -13.7688 -13.7376\n -13.6858 -13.6365 -13.1701 -13.0847 -12.7251 -12.4870 -12.0985 -12.0405\n -11.8150 -11.4578 -11.3893 -11.3031 -10.9477 -10.7431 -10.5067 -9.9540\n -9.9141 -9.7715 -9.7554 -9.7068 -9.6716 -9.6292 -9.5585 -9.5228\n -9.4813 -9.4396 -9.4023 -9.3369 -9.3049 -9.1764 -9.1373 -9.1100\n -9.0344 -8.9882 -8.9553 -8.9503 -8.8776 -8.8531 -8.6357 -8.5998\n -8.5327 -8.2327 -8.0859 -7.9925 -7.6879 -7.5429 -7.2515 -7.1767\n -6.9654 -6.8067 -6.4069 -6.3478 -6.2849 -6.0881 -6.0734 -5.8951\n -5.6189 -4.9534 -4.8277 -4.6556 -4.5734 -4.1969 -4.1203 -4.0289\n -4.0024 -3.8850 -3.8243 -3.7164 -3.6915 -3.6761 -3.5927 -3.5395\n -3.4612 -3.2539 -3.0525 -2.8057 -2.3989 -2.3092 -0.7075 -0.4017\n -0.1474\n\n the Fermi energy is -6.0808 ev\n\n! total energy = -1655.76187622 Ry\n total all-electron energy = -6224.594224 Ry\n estimated scf accuracy < 6.9E-09 Ry\n smearing contrib. (-TS) = -0.00557897 Ry\n internal energy E=F+TS = -1655.75629725 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18257.77658270 Ry\n hartree contribution = 9161.98004130 Ry\n xc contribution = -312.72578552 Ry\n ewald contribution = 8180.73954236 Ry\n DFT-D3 Dispersion = -0.16162928 Ry\n one-center paw contrib. = -427.81188342 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00043669 0.00051133 0.00168712\n atom 2 type 1 force = 0.00136738 -0.00037476 0.00205070\n atom 3 type 2 force = -0.00165608 0.00027560 0.00160095\n atom 4 type 2 force = 0.00067190 0.00115702 -0.00077911\n atom 5 type 1 force = 0.00046309 -0.00031254 -0.00023858\n atom 6 type 1 force = 0.00087994 -0.00479026 -0.00268335\n atom 7 type 2 force = 0.00114856 0.00363183 0.00260751\n atom 8 type 2 force = 0.00169471 -0.00024519 0.00012648\n atom 9 type 1 force = 0.00433948 0.00107396 -0.00102938\n atom 10 type 1 force = 0.00070208 -0.00040039 0.00159658\n atom 11 type 2 force = 0.00001661 0.00038180 -0.00000232\n atom 12 type 2 force = -0.00030450 -0.00018479 0.00000955\n atom 13 type 1 force = 0.00163977 0.00025384 0.00053755\n atom 14 type 1 force = 0.00100049 0.00033074 -0.00058278\n atom 15 type 1 force = -0.00102885 -0.00123173 -0.00153939\n atom 16 type 2 force = 0.00197203 -0.00039827 -0.00194721\n atom 17 type 2 force = 0.00106260 0.00148421 -0.00022134\n atom 18 type 1 force = -0.00303719 0.00146214 0.00448888\n atom 19 type 1 force = 0.00091856 0.00416641 -0.00178475\n atom 20 type 2 force = 0.00064554 0.00028959 -0.00029143\n atom 21 type 2 force = 0.00003225 0.00003878 0.00104678\n atom 22 type 3 force = -0.00054692 0.00244843 0.00292502\n atom 23 type 1 force = -0.00097773 -0.00190133 0.00026689\n atom 24 type 1 force = 0.00064307 0.00329165 -0.00063927\n atom 25 type 1 force = 0.00068915 -0.00074737 -0.00184097\n atom 26 type 1 force = 0.00043005 0.00053500 -0.00171600\n atom 27 type 1 force = 0.00297218 -0.00141523 -0.00125811\n atom 28 type 1 force = 0.00130723 0.00088443 -0.00067476\n atom 29 type 3 force = -0.00288761 -0.00150220 0.00067501\n atom 30 type 1 force = -0.00465231 0.00140951 -0.00024513\n atom 31 type 1 force = -0.00408363 0.00000890 0.00190220\n atom 32 type 2 force = -0.00108384 0.00093583 0.00062042\n atom 33 type 2 force = 0.00094553 -0.00167267 -0.00158162\n atom 34 type 1 force = -0.00125373 0.00188281 -0.00318321\n atom 35 type 1 force = -0.00126401 0.00012450 -0.00239551\n atom 36 type 2 force = 0.00271048 -0.00193731 0.00223419\n atom 37 type 2 force = -0.00162175 0.00113236 0.00081420\n atom 38 type 1 force = -0.00051388 -0.00085752 0.00035913\n atom 39 type 1 force = -0.00084613 -0.00093219 -0.00036157\n atom 40 type 1 force = 0.00328168 0.00287575 -0.00264226\n atom 41 type 2 force = -0.00249630 -0.00224645 -0.00100290\n atom 42 type 2 force = -0.00008264 -0.00098672 0.00216699\n atom 43 type 1 force = 0.00002249 0.00019517 -0.00082587\n atom 44 type 1 force = -0.00017750 0.00037580 -0.00117269\n atom 45 type 2 force = 0.00043235 -0.00395484 0.00044144\n atom 46 type 2 force = -0.00051243 -0.00055833 0.00326811\n atom 47 type 1 force = -0.00180578 -0.00118641 0.00103630\n atom 48 type 1 force = -0.00014487 -0.00173158 0.00129476\n atom 49 type 2 force = -0.00177604 -0.00171014 -0.00198280\n atom 50 type 2 force = 0.00032782 0.00012084 -0.00113445\n\n Total force = 0.020787 Total SCF correction = 0.000199\n Energy error = 5.9E-04 Ry\n Gradient error = 4.8E-03 Ry/Bohr\n\n number of scf cycles = 51\n number of bfgs steps = 50\n\n energy old = -1655.7612889001 Ry\n energy new = -1655.7618762172 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0254871165 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8123738305 9.8425822938 9.2603493224\nN 10.5943052788 9.9766123873 8.0596207112\nO 9.6088118570 9.3705708286 8.4515939527\nO 10.7078531592 10.8684908278 7.2503746722\nN 13.0946696285 8.5610880816 9.1983966352\nN 12.2326655328 7.1262044985 10.4604969888\nO 12.1767854534 7.4464344812 11.6230521787\nO 11.9846377485 6.1296138754 9.8415104136\nN 14.3258263326 8.0727665352 9.6668717190\nN 15.1128842459 8.4685363098 6.7894188616\nO 14.6995223858 9.5619484589 6.4600124384\nO 15.8904709747 7.6851403497 6.2903432180\nN 15.0913835765 8.8459929510 10.3194296407\nN 16.3780171685 8.4013765469 10.3104920510\nN 16.4627526636 6.5085263338 10.0850429609\nO 17.2260197581 6.1723077960 9.2221963134\nO 15.7603298790 5.9159706163 10.8649611166\nN 17.2388407999 8.9472039627 11.1453422194\nN 17.3476675525 8.1612769027 12.8658550712\nO 17.7475137647 7.0205285195 12.8542756292\nO 16.9449768066 8.8896653359 13.7345265038\nC 18.4819990080 9.2742000920 10.5870185493\nN 19.5612007184 8.4360907306 9.8285387692\nN 19.5748696342 9.5553498380 8.7173467054\nN 20.6487824234 10.3110322712 9.5255465978\nN 19.5784432746 11.1329141915 10.2800600445\nN 19.5436049551 10.0053861367 11.3897352299\nN 20.6325021280 9.2414611800 10.6062707430\nC 18.5250679868 10.3314071570 9.4737909116\nN 17.3619737725 10.7900817414 8.8443084137\nN 17.6716047715 11.3828959321 7.1187746223\nO 17.6759354577 12.5882666114 7.0371677162\nO 17.7316726476 10.4932887858 6.3107602035\nN 16.5750992420 11.5211015327 9.6145647015\nN 16.9864710971 13.4387458897 9.9188610087\nO 16.3352183789 14.1709715232 9.2217477151\nO 17.8211050061 13.5991289125 10.7659771930\nN 15.2431727645 11.3257286454 9.4786958276\nN 14.5498155427 12.1816098501 10.1137372944\nN 15.1622410478 11.6378383529 12.9254438714\nO 15.9904113482 12.2838902505 13.5285681889\nO 14.3485137242 10.7993212967 13.2402801552\nN 13.2146378908 11.8653725202 10.4204385399\nN 12.6095909079 13.4076657571 9.0129289894\nO 12.7107892493 13.0922022279 7.8523214792\nO 12.3027463338 14.4169193645 9.5896622014\nN 12.7923426836 10.6318983935 10.2991872177\nN 10.6057859046 10.7366850278 11.4232850590\nO 9.6139190200 11.0903768765 10.7997518646\nO 10.7148677269 10.2910092771 12.5418693016\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 146.0 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 156.3 secs\n\n total energy = -1655.76162329 Ry\n estimated scf accuracy < 0.00358442 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.34E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.846E-02 0.000E+00\n\n total cpu time spent up to now is 160.5 secs\n\n total energy = -1655.76084850 Ry\n estimated scf accuracy < 0.16591215 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.34E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.872E-02 0.000E+00\n\n total cpu time spent up to now is 164.6 secs\n\n total energy = -1655.76205582 Ry\n estimated scf accuracy < 0.00053719 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.00E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.886E-02 0.000E+00\n\n total cpu time spent up to now is 169.5 secs\n\n total energy = -1655.76233754 Ry\n estimated scf accuracy < 0.00032674 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.22E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.881E-02 0.000E+00\n\n total cpu time spent up to now is 174.0 secs\n\n total energy = -1655.76237859 Ry\n estimated scf accuracy < 0.00018834 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.03E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.882E-02 0.000E+00\n\n total cpu time spent up to now is 178.5 secs\n\n total energy = -1655.76240402 Ry\n estimated scf accuracy < 0.00001975 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.37E-09, avg # of iterations = 16.0\n\n negative rho (up, down): 2.875E-02 0.000E+00\n\n total cpu time spent up to now is 184.9 secs\n\n total energy = -1655.76245035 Ry\n estimated scf accuracy < 0.00004702 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.37E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.853E-02 0.000E+00\n\n total cpu time spent up to now is 189.2 secs\n\n total energy = -1655.76244946 Ry\n estimated scf accuracy < 0.00002098 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.37E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.845E-02 0.000E+00\n\n total cpu time spent up to now is 193.6 secs\n\n total energy = -1655.76245027 Ry\n estimated scf accuracy < 0.00000446 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.66E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.840E-02 0.000E+00\n\n total cpu time spent up to now is 198.4 secs\n\n total energy = -1655.76245300 Ry\n estimated scf accuracy < 0.00000134 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.00E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.839E-02 0.000E+00\n\n total cpu time spent up to now is 203.7 secs\n\n total energy = -1655.76245419 Ry\n estimated scf accuracy < 0.00000079 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.95E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 208.1 secs\n\n total energy = -1655.76245433 Ry\n estimated scf accuracy < 0.00000054 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.03E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 212.8 secs\n\n total energy = -1655.76245451 Ry\n estimated scf accuracy < 0.00000027 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 217.4 secs\n\n total energy = -1655.76245464 Ry\n estimated scf accuracy < 0.00000014 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.32E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 222.5 secs\n\n total energy = -1655.76245474 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.12E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 227.4 secs\n\n total energy = -1655.76245477 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-11, avg # of iterations = 6.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 232.2 secs\n\n total energy = -1655.76245479 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.42E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 236.8 secs\n\n total energy = -1655.76245479 Ry\n estimated scf accuracy < 9.0E-09 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.34E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 241.6 secs\n\n total energy = -1655.76245478 Ry\n estimated scf accuracy < 8.1E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.04E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 246.0 secs\n\n total energy = -1655.76245479 Ry\n estimated scf accuracy < 3.5E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.31E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 251.0 secs\n\n total energy = -1655.76245478 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.49E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 256.1 secs\n\n total energy = -1655.76245479 Ry\n estimated scf accuracy < 6.0E-10 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.23E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 260.3 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.7978 -32.7914 -32.7481 -32.7293 -32.6741 -32.5489 -32.2498 -32.1506\n -32.0289 -31.9996 -30.6633 -29.6154 -29.1941 -28.9400 -28.9098 -28.9048\n -28.9033 -28.8712 -28.7804 -28.5811 -28.5496 -28.4188 -28.1593 -28.1165\n -27.4312 -26.8019 -25.5319 -24.7903 -24.3603 -23.9856 -22.7982 -21.9124\n -20.6684 -19.2214 -18.6910 -18.1968 -17.6930 -17.4108 -17.3715 -17.2098\n -17.0863 -16.9127 -16.6161 -16.5920 -16.5571 -16.5259 -16.4388 -16.3826\n -15.6950 -15.6606 -15.4690 -15.2763 -15.1512 -15.0309 -15.0080 -14.8250\n -14.7051 -14.6301 -14.5873 -14.5499 -14.4803 -14.4769 -14.4326 -14.3664\n -14.3010 -14.2546 -14.2430 -14.2228 -14.2008 -14.1636 -14.0612 -14.0477\n -14.0314 -13.9901 -13.9647 -13.8651 -13.8141 -13.8002 -13.7681 -13.7353\n -13.6808 -13.6322 -13.1649 -13.0746 -12.7200 -12.4747 -12.0961 -12.0411\n -11.8116 -11.4598 -11.3992 -11.3014 -10.9465 -10.7473 -10.4973 -9.9622\n -9.9150 -9.7739 -9.7585 -9.7032 -9.6729 -9.6266 -9.5692 -9.5209\n -9.4836 -9.4420 -9.3965 -9.3385 -9.3062 -9.1757 -9.1386 -9.1106\n -9.0340 -8.9919 -8.9553 -8.9516 -8.8728 -8.8465 -8.6337 -8.5956\n -8.5289 -8.2331 -8.0874 -7.9935 -7.6936 -7.5484 -7.2574 -7.1827\n -6.9733 -6.8135 -6.4054 -6.3530 -6.2907 -6.0849 -6.0704 -5.8884\n -5.6073 -4.9430 -4.8158 -4.6398 -4.5646 -4.2037 -4.1274 -4.0329\n -3.9979 -3.8900 -3.8369 -3.7165 -3.6912 -3.6790 -3.6018 -3.5385\n -3.4562 -3.2591 -3.0564 -2.8049 -2.4044 -2.3116 -0.7320 -0.4026\n -0.1485\n\n the Fermi energy is -6.0776 ev\n\n! total energy = -1655.76245481 Ry\n total all-electron energy = -6224.594803 Ry\n estimated scf accuracy < 2.2E-10 Ry\n smearing contrib. (-TS) = -0.00557920 Ry\n internal energy E=F+TS = -1655.75687561 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18264.51282329 Ry\n hartree contribution = 9165.33581404 Ry\n xc contribution = -312.71742529 Ry\n ewald contribution = 8184.11035691 Ry\n DFT-D3 Dispersion = -0.16174273 Ry\n one-center paw contrib. = -427.81105526 Ry\n\n convergence has been achieved in 23 iterations\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00164683 -0.00056711 0.00279052\n atom 2 type 1 force = 0.00174450 0.00069826 0.00140965\n atom 3 type 2 force = 0.00181625 -0.00033319 0.00138559\n atom 4 type 2 force = 0.00139848 0.00038150 -0.00025963\n atom 5 type 1 force = 0.00102562 -0.00036856 0.00031701\n atom 6 type 1 force = 0.00023406 -0.00126924 0.00092674\n atom 7 type 2 force = 0.00128805 0.00185507 -0.00094119\n atom 8 type 2 force = 0.00164844 -0.00188235 -0.00006695\n atom 9 type 1 force = 0.00248732 0.00058399 -0.00221633\n atom 10 type 1 force = 0.00008074 0.00109887 0.00112496\n atom 11 type 2 force = 0.00096237 -0.00156744 0.00035108\n atom 12 type 2 force = -0.00056957 0.00027087 0.00000738\n atom 13 type 1 force = 0.00150288 0.00058395 0.00190488\n atom 14 type 1 force = 0.00239385 0.00100228 -0.00252937\n atom 15 type 1 force = -0.00075860 -0.00254215 -0.00272453\n atom 16 type 2 force = 0.00130519 0.00056222 -0.00081900\n atom 17 type 2 force = 0.00106803 0.00241916 -0.00015701\n atom 18 type 1 force = -0.00270405 0.00132271 0.00472097\n atom 19 type 1 force = 0.00085338 0.00426960 -0.00229547\n atom 20 type 2 force = 0.00063651 0.00057985 0.00011255\n atom 21 type 2 force = 0.00016035 -0.00014705 0.00197552\n atom 22 type 3 force = -0.00207126 0.00077948 0.00297270\n atom 23 type 1 force = 0.00013840 -0.00179789 -0.00056855\n atom 24 type 1 force = 0.00001704 0.00304863 -0.00131205\n atom 25 type 1 force = 0.00068672 -0.00062187 -0.00045067\n atom 26 type 1 force = -0.00030767 0.00003751 -0.00150484\n atom 27 type 1 force = 0.00161815 0.00101122 -0.00224078\n atom 28 type 1 force = 0.00018160 0.00005707 -0.00012629\n atom 29 type 3 force = -0.00334221 -0.00101754 -0.00004140\n atom 30 type 1 force = -0.00400963 -0.00030082 0.00071018\n atom 31 type 1 force = -0.00408938 -0.00225593 0.00022278\n atom 32 type 2 force = -0.00085704 0.00147947 -0.00079191\n atom 33 type 2 force = 0.00069193 0.00126638 0.00140866\n atom 34 type 1 force = -0.00044702 0.00302044 -0.00173166\n atom 35 type 1 force = -0.00048737 0.00056756 0.00042496\n atom 36 type 2 force = 0.00175678 -0.00119931 0.00091185\n atom 37 type 2 force = -0.00229220 -0.00008253 -0.00063183\n atom 38 type 1 force = 0.00045397 -0.00264391 -0.00096414\n atom 39 type 1 force = -0.00043683 -0.00031223 -0.00053493\n atom 40 type 1 force = 0.00151280 0.00153795 -0.00399174\n atom 41 type 2 force = -0.00123742 -0.00134820 0.00025927\n atom 42 type 2 force = 0.00040480 -0.00052427 0.00227539\n atom 43 type 1 force = 0.00030284 -0.00007955 -0.00008785\n atom 44 type 1 force = -0.00007050 0.00075580 0.00060924\n atom 45 type 2 force = -0.00019730 -0.00233883 0.00073930\n atom 46 type 2 force = 0.00008072 -0.00269633 0.00089916\n atom 47 type 1 force = -0.00124046 -0.00000033 0.00014487\n atom 48 type 1 force = -0.00303548 -0.00214887 -0.00052630\n atom 49 type 2 force = -0.00204095 -0.00170479 -0.00013253\n atom 50 type 2 force = 0.00009632 0.00056046 -0.00095826\n\n Total force = 0.019025 Total SCF correction = 0.000041\n Energy error = 5.8E-04 Ry\n Gradient error = 4.7E-03 Ry/Bohr\n\n number of scf cycles = 52\n number of bfgs steps = 51\n\n energy old = -1655.7618762172 Ry\n energy new = -1655.7624548139 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0456033441 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7988128339 9.8350629354 9.2601631680\nN 10.5956658070 9.9744888644 8.0675611734\nO 9.6086913025 9.3706249246 8.4600095659\nO 10.7089129611 10.8701133354 7.2626022446\nN 13.0956689590 8.5567339800 9.1982563003\nN 12.2417179238 7.1235803498 10.4614930419\nO 12.1896836437 7.4506834015 11.6235622093\nO 11.9806555261 6.1294645038 9.8432042031\nN 14.3317581344 8.0773164317 9.6698108287\nN 15.1155758325 8.4658862170 6.7896131002\nO 14.6970578359 9.5557293598 6.4547109248\nO 15.8909541351 7.6813022173 6.2889388378\nN 15.0952901365 8.8519583835 10.3212103500\nN 16.3814669439 8.4042203887 10.3214369970\nN 16.4744244696 6.5146889529 10.0846329755\nO 17.2350057772 6.1910871968 9.2145056355\nO 15.7777416891 5.9124257497 10.8610138977\nN 17.2413139885 8.9572765121 11.1546426422\nN 17.3575403838 8.1705141073 12.8583391201\nO 17.7530110830 7.0272235088 12.8412428888\nO 16.9560152700 8.8934851508 13.7328405857\nC 18.4841342883 9.2835570854 10.5912014357\nN 19.5621912365 8.4409321374 9.8321020510\nN 19.5739291184 9.5584166542 8.7155689235\nN 20.6496777516 10.3159520232 9.5166876335\nN 19.5797158997 11.1411528327 10.2713183357\nN 19.5497905139 10.0157026425 11.3860011612\nN 20.6368369235 9.2518300298 10.6020818944\nC 18.5214964077 10.3338634418 9.4717239108\nN 17.3563278344 10.7881150972 8.8400196947\nN 17.6666440991 11.3794215658 7.1198584841\nO 17.6523981338 12.5866251410 7.0422338260\nO 17.7443000641 10.4933141001 6.3083826503\nN 16.5674530074 11.5234851619 9.6056944747\nN 16.9850021139 13.4317684984 9.9183259921\nO 16.3326164928 14.1690938224 9.2281301546\nO 17.8139493510 13.5905643734 10.7718346278\nN 15.2362835828 11.3244552178 9.4747183192\nN 14.5400016426 12.1778805166 10.1113635661\nN 15.1658703860 11.6365402548 12.9239219644\nO 15.9937233028 12.2858042072 13.5246613111\nO 14.3476844425 10.8042503276 13.2498952043\nN 13.2053153928 11.8601175984 10.4171013695\nN 12.5959245541 13.3985944529 9.0164750979\nO 12.7029406943 13.0753814798 7.8591139520\nO 12.2846476722 14.4075443537 9.5918138639\nN 12.7822664304 10.6254273265 10.2998969232\nN 10.6093320421 10.7312128629 11.4237688158\nO 9.6170098991 11.0750303615 10.7950025925\nO 10.7182651285 10.2857782203 12.5421128126\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 270.5 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 29.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 282.8 secs\n\n total energy = -1655.76137544 Ry\n estimated scf accuracy < 0.01277735 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.77E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.848E-02 0.000E+00\n\n total cpu time spent up to now is 286.9 secs\n\n total energy = -1655.75901806 Ry\n estimated scf accuracy < 0.52174658 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.77E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.862E-02 0.000E+00\n\n total cpu time spent up to now is 291.1 secs\n\n total energy = -1655.76272492 Ry\n estimated scf accuracy < 0.00099801 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.72E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.878E-02 0.000E+00\n\n total cpu time spent up to now is 295.4 secs\n\n total energy = -1655.76280483 Ry\n estimated scf accuracy < 0.00276741 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.72E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.890E-02 0.000E+00\n\n total cpu time spent up to now is 299.6 secs\n\n total energy = -1655.76285739 Ry\n estimated scf accuracy < 0.00032370 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.21E-07, avg # of iterations = 12.0\n\n negative rho (up, down): 2.885E-02 0.000E+00\n\n total cpu time spent up to now is 304.4 secs\n\n total energy = -1655.76302122 Ry\n estimated scf accuracy < 0.00025793 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.62E-08, avg # of iterations = 3.0\n\n negative rho (up, down): 2.880E-02 0.000E+00\n\n total cpu time spent up to now is 308.8 secs\n\n total energy = -1655.76304494 Ry\n estimated scf accuracy < 0.00003918 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.46E-08, avg # of iterations = 13.0\n\n negative rho (up, down): 2.877E-02 0.000E+00\n\n total cpu time spent up to now is 314.2 secs\n\n total energy = -1655.76308387 Ry\n estimated scf accuracy < 0.00001669 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.23E-09, avg # of iterations = 11.0\n\n negative rho (up, down): 2.865E-02 0.000E+00\n\n total cpu time spent up to now is 319.1 secs\n\n total energy = -1655.76308945 Ry\n estimated scf accuracy < 0.00005543 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.23E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.862E-02 0.000E+00\n\n total cpu time spent up to now is 323.5 secs\n\n total energy = -1655.76309131 Ry\n estimated scf accuracy < 0.00004254 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.23E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.857E-02 0.000E+00\n\n total cpu time spent up to now is 327.8 secs\n\n total energy = -1655.76309238 Ry\n estimated scf accuracy < 0.00002745 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.23E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.850E-02 0.000E+00\n\n total cpu time spent up to now is 332.1 secs\n\n total energy = -1655.76309309 Ry\n estimated scf accuracy < 0.00000206 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.67E-10, avg # of iterations = 14.0\n\n negative rho (up, down): 2.847E-02 0.000E+00\n\n total cpu time spent up to now is 337.7 secs\n\n total energy = -1655.76309595 Ry\n estimated scf accuracy < 0.00000118 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.39E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.838E-02 0.000E+00\n\n total cpu time spent up to now is 342.0 secs\n\n total energy = -1655.76309618 Ry\n estimated scf accuracy < 0.00000053 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.97E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 347.2 secs\n\n total energy = -1655.76309665 Ry\n estimated scf accuracy < 0.00000014 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.36E-11, avg # of iterations = 14.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 352.8 secs\n\n total energy = -1655.76309685 Ry\n estimated scf accuracy < 0.00000007 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.52E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 357.7 secs\n\n total energy = -1655.76309694 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.52E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 362.2 secs\n\n total energy = -1655.76309698 Ry\n estimated scf accuracy < 0.00000007 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.52E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 366.5 secs\n\n total energy = -1655.76309700 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 370.8 secs\n\n total energy = -1655.76309702 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.33E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 376.1 secs\n\n total energy = -1655.76309704 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.25E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 380.5 secs\n\n total energy = -1655.76309706 Ry\n estimated scf accuracy < 7.7E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.86E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 385.0 secs\n\n total energy = -1655.76309709 Ry\n estimated scf accuracy < 9.3E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.86E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 389.3 secs\n\n total energy = -1655.76309712 Ry\n estimated scf accuracy < 2.4E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.82E-13, avg # of iterations = 12.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 394.5 secs\n\n total energy = -1655.76309713 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.18E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 399.1 secs\n\n total energy = -1655.76309715 Ry\n estimated scf accuracy < 5.2E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.96E-13, avg # of iterations = 13.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 404.1 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.7926 -32.7784 -32.7439 -32.7412 -32.6572 -32.5711 -32.2079 -32.1469\n -32.0341 -32.0034 -30.6470 -29.6044 -29.1907 -28.9304 -28.9116 -28.9011\n -28.8793 -28.8762 -28.8200 -28.5748 -28.4988 -28.4103 -28.1617 -28.1206\n -27.4231 -26.8026 -25.5338 -24.7746 -24.3470 -23.9836 -22.7972 -21.9223\n -20.6742 -19.2293 -18.6882 -18.1984 -17.7211 -17.4395 -17.3915 -17.2261\n -17.0971 -16.9322 -16.6110 -16.5875 -16.5571 -16.5325 -16.4431 -16.3857\n -15.6967 -15.6600 -15.4785 -15.2874 -15.1439 -15.0324 -15.0136 -14.8351\n -14.7069 -14.6326 -14.6024 -14.5635 -14.4744 -14.4677 -14.4345 -14.3914\n -14.2934 -14.2494 -14.2440 -14.2190 -14.2157 -14.1892 -14.0571 -14.0296\n -14.0053 -13.9851 -13.9603 -13.8636 -13.8197 -13.8006 -13.7684 -13.7258\n -13.6770 -13.6333 -13.1643 -13.0649 -12.7111 -12.4618 -12.0945 -12.0414\n -11.8047 -11.4614 -11.4098 -11.2925 -10.9438 -10.7499 -10.4819 -9.9722\n -9.9183 -9.7734 -9.7599 -9.6955 -9.6674 -9.6296 -9.5930 -9.5181\n -9.4830 -9.4246 -9.3928 -9.3328 -9.3144 -9.1709 -9.1408 -9.1167\n -9.0472 -8.9963 -8.9591 -8.9313 -8.8589 -8.8414 -8.6363 -8.5979\n -8.5298 -8.2385 -8.0966 -7.9993 -7.7003 -7.5534 -7.2726 -7.1922\n -6.9859 -6.8219 -6.4065 -6.3589 -6.2913 -6.0865 -6.0726 -5.8796\n -5.5945 -4.9335 -4.8006 -4.6290 -4.5504 -4.2149 -4.1362 -4.0457\n -3.9996 -3.9045 -3.8544 -3.7057 -3.6882 -3.6849 -3.6114 -3.5405\n -3.4472 -3.2636 -3.0644 -2.7981 -2.4102 -2.3166 -0.7620 -0.4042\n -0.1512\n\n the Fermi energy is -6.0795 ev\n\n! total energy = -1655.76309717 Ry\n total all-electron energy = -6224.595445 Ry\n estimated scf accuracy < 2.6E-10 Ry\n smearing contrib. (-TS) = -0.00558423 Ry\n internal energy E=F+TS = -1655.75751294 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18271.15634774 Ry\n hartree contribution = 9168.64392897 Ry\n xc contribution = -312.70202489 Ry\n ewald contribution = 8187.42907986 Ry\n DFT-D3 Dispersion = -0.16179402 Ry\n one-center paw contrib. = -427.81035512 Ry\n\n convergence has been achieved in 27 iterations\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00284627 -0.00135950 0.00333397\n atom 2 type 1 force = 0.00107654 0.00046729 0.00166760\n atom 3 type 2 force = 0.00439173 -0.00047118 0.00086687\n atom 4 type 2 force = 0.00219690 0.00031662 -0.00038626\n atom 5 type 1 force = 0.00193040 -0.00048414 0.00079118\n atom 6 type 1 force = -0.00045519 0.00037663 0.00169678\n atom 7 type 2 force = 0.00106121 -0.00056166 -0.00400977\n atom 8 type 2 force = 0.00229402 -0.00102012 0.00215065\n atom 9 type 1 force = 0.00144751 -0.00023263 -0.00297677\n atom 10 type 1 force = 0.00016160 0.00119037 0.00082592\n atom 11 type 2 force = 0.00074839 -0.00118201 0.00051699\n atom 12 type 2 force = -0.00037656 -0.00015483 0.00010837\n atom 13 type 1 force = 0.00077903 0.00001520 0.00273366\n atom 14 type 1 force = 0.00241491 0.00249308 -0.00316875\n atom 15 type 1 force = 0.00017122 -0.00179703 -0.00375202\n atom 16 type 2 force = 0.00091053 0.00053211 -0.00033710\n atom 17 type 2 force = 0.00021032 0.00200327 0.00045355\n atom 18 type 1 force = -0.00188383 0.00070847 0.00334228\n atom 19 type 1 force = 0.00001263 0.00267454 0.00002427\n atom 20 type 2 force = 0.00045770 0.00248125 -0.00024630\n atom 21 type 2 force = 0.00090940 -0.00054442 0.00101843\n atom 22 type 3 force = -0.00110396 0.00000590 0.00092367\n atom 23 type 1 force = 0.00045736 -0.00039337 -0.00141484\n atom 24 type 1 force = -0.00100452 0.00091651 -0.00100532\n atom 25 type 1 force = -0.00048059 -0.00022256 0.00069498\n atom 26 type 1 force = -0.00052542 -0.00057585 -0.00097121\n atom 27 type 1 force = -0.00041543 0.00327760 -0.00229325\n atom 28 type 1 force = -0.00229478 -0.00081621 0.00015401\n atom 29 type 3 force = -0.00121814 -0.00049308 0.00015393\n atom 30 type 1 force = -0.00353102 -0.00046274 0.00158785\n atom 31 type 1 force = -0.00421789 0.00086714 -0.00089898\n atom 32 type 2 force = -0.00056751 -0.00246101 -0.00161516\n atom 33 type 2 force = 0.00038233 0.00295651 0.00337189\n atom 34 type 1 force = 0.00092929 0.00153385 -0.00119552\n atom 35 type 1 force = -0.00086728 0.00281415 0.00208510\n atom 36 type 2 force = 0.00111674 -0.00125219 -0.00023875\n atom 37 type 2 force = -0.00211812 -0.00176337 -0.00126196\n atom 38 type 1 force = -0.00046578 -0.00225730 -0.00079678\n atom 39 type 1 force = 0.00028309 -0.00060034 -0.00143428\n atom 40 type 1 force = -0.00029931 -0.00073250 -0.00148977\n atom 41 type 2 force = -0.00114564 -0.00106120 -0.00056096\n atom 42 type 2 force = 0.00211418 0.00145646 0.00058080\n atom 43 type 1 force = 0.00074260 -0.00009617 0.00084734\n atom 44 type 1 force = 0.00040489 -0.00026294 0.00285410\n atom 45 type 2 force = -0.00080634 -0.00041168 0.00031787\n atom 46 type 2 force = 0.00054701 -0.00368275 -0.00121242\n atom 47 type 1 force = -0.00054515 0.00145385 -0.00047341\n atom 48 type 1 force = -0.00362273 -0.00291299 -0.00176599\n atom 49 type 2 force = -0.00259001 -0.00121318 0.00102737\n atom 50 type 2 force = -0.00046261 0.00093817 -0.00062386\n\n Total force = 0.019957 Total SCF correction = 0.000040\n Energy error = 6.4E-04 Ry\n Gradient error = 4.4E-03 Ry/Bohr\n\n number of scf cycles = 53\n number of bfgs steps = 52\n\n energy old = -1655.7624548139 Ry\n energy new = -1655.7630971699 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0522231305 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7900253777 9.8260260264 9.2623800297\nN 10.5976148835 9.9710562206 8.0772532639\nO 9.6104261486 9.3663822196 8.4688378800\nO 10.7097724152 10.8721093113 7.2771110898\nN 13.0981634767 8.5501594467 9.2002549163\nN 12.2479048381 7.1191105688 10.4642709990\nO 12.2006889347 7.4519803837 11.6248903797\nO 11.9762941332 6.1274773792 9.8475958543\nN 14.3382966810 8.0786817782 9.6735740975\nN 15.1197302057 8.4608200165 6.7862481458\nO 14.6956079564 9.5473077258 6.4458992541\nO 15.8949101981 7.6761283039 6.2839952652\nN 15.0985819740 8.8556266875 10.3257519517\nN 16.3854743656 8.4087082275 10.3299188425\nN 16.4874347703 6.5194095660 10.0813261696\nO 17.2479265811 6.2089907096 9.2063779531\nO 15.7977794844 5.9088333458 10.8571925780\nN 17.2421640249 8.9677023635 11.1646990775\nN 17.3685170944 8.1798038667 12.8516818810\nO 17.7598012520 7.0345798440 12.8279561230\nO 16.9698891194 8.8960149482 13.7327926889\nC 18.4852005473 9.2942263328 10.5943418226\nN 19.5623304634 8.4471076511 9.8331887698\nN 19.5722829701 9.5638187420 8.7127156335\nN 20.6499503921 10.3215465271 9.5087687203\nN 19.5806195108 11.1498263677 10.2618333764\nN 19.5545485759 10.0288599202 11.3803818624\nN 20.6384692571 9.2619095691 10.5979051068\nC 18.5172997623 10.3377293799 9.4692095589\nN 17.3486749877 10.7881602380 8.8360579313\nN 17.6583270884 11.3784963000 7.1200400206\nO 17.6247955361 12.5865502521 7.0435755689\nO 17.7592281608 10.4945330083 6.3072050838\nN 16.5597441046 11.5280800456 9.5950101466\nN 16.9825641281 13.4288318471 9.9200371606\nO 16.3298864523 14.1699929325 9.2367761768\nO 17.8083788003 13.5820653125 10.7772411672\nN 15.2287452540 11.3234038713 9.4695891803\nN 14.5310367936 12.1751846715 10.1053474341\nN 15.1714067897 11.6365761138 12.9253935859\nO 15.9991536117 12.2872885064 13.5240939292\nO 14.3484531175 10.8126018620 13.2632909192\nN 13.1977348801 11.8553959216 10.4137692762\nN 12.5803786123 13.3892235205 9.0188688617\nO 12.6905287874 13.0601868485 7.8640572295\nO 12.2638703969 14.3965930175 9.5924594297\nN 12.7743048394 10.6193712663 10.3005753535\nN 10.6102378723 10.7222082878 11.4237239569\nO 9.6171216031 11.0583305284 10.7916734213\nO 10.7204158330 10.2806704776 12.5436626084\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 414.2 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 32.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 427.4 secs\n\n total energy = -1655.76158013 Ry\n estimated scf accuracy < 0.01427417 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.33E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.831E-02 0.000E+00\n\n total cpu time spent up to now is 431.5 secs\n\n total energy = -1655.75905276 Ry\n estimated scf accuracy < 0.59936361 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.33E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 435.6 secs\n\n total energy = -1655.76321365 Ry\n estimated scf accuracy < 0.00174649 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.52E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.835E-02 0.000E+00\n\n total cpu time spent up to now is 439.8 secs\n\n total energy = -1655.76328234 Ry\n estimated scf accuracy < 0.00659569 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.52E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.840E-02 0.000E+00\n\n total cpu time spent up to now is 444.0 secs\n\n total energy = -1655.76339027 Ry\n estimated scf accuracy < 0.00014165 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.29E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 449.8 secs\n\n total energy = -1655.76365360 Ry\n estimated scf accuracy < 0.00103370 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.29E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 454.1 secs\n\n total energy = -1655.76365054 Ry\n estimated scf accuracy < 0.00080208 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.29E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.842E-02 0.000E+00\n\n total cpu time spent up to now is 458.4 secs\n\n total energy = -1655.76362894 Ry\n estimated scf accuracy < 0.00093446 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.29E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.843E-02 0.000E+00\n\n total cpu time spent up to now is 462.7 secs\n\n total energy = -1655.76364059 Ry\n estimated scf accuracy < 0.00003421 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.28E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.842E-02 0.000E+00\n\n total cpu time spent up to now is 467.3 secs\n\n total energy = -1655.76364592 Ry\n estimated scf accuracy < 0.00001385 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.17E-09, avg # of iterations = 16.0\n\n negative rho (up, down): 2.840E-02 0.000E+00\n\n total cpu time spent up to now is 472.8 secs\n\n total energy = -1655.76365824 Ry\n estimated scf accuracy < 0.00005140 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.17E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 477.1 secs\n\n total energy = -1655.76365882 Ry\n estimated scf accuracy < 0.00000183 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.82E-10, avg # of iterations = 18.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 483.0 secs\n\n total energy = -1655.76366189 Ry\n estimated scf accuracy < 0.00000095 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.54E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 487.6 secs\n\n total energy = -1655.76366206 Ry\n estimated scf accuracy < 0.00000046 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 492.7 secs\n\n total energy = -1655.76366240 Ry\n estimated scf accuracy < 0.00000028 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 497.5 secs\n\n total energy = -1655.76366250 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.87E-11, avg # of iterations = 14.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 503.0 secs\n\n total energy = -1655.76366258 Ry\n estimated scf accuracy < 0.00000007 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.64E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 507.4 secs\n\n total energy = -1655.76366261 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 512.5 secs\n\n total energy = -1655.76366264 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.27E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 517.3 secs\n\n total energy = -1655.76366266 Ry\n estimated scf accuracy < 8.1E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.01E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 522.4 secs\n\n total energy = -1655.76366267 Ry\n estimated scf accuracy < 8.7E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.01E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 526.8 secs\n\n total energy = -1655.76366268 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.01E-12, avg # of iterations = 1.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 531.1 secs\n\n total energy = -1655.76366270 Ry\n estimated scf accuracy < 3.5E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.31E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 535.6 secs\n\n total energy = -1655.76366271 Ry\n estimated scf accuracy < 2.3E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.58E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 540.2 secs\n\n total energy = -1655.76366273 Ry\n estimated scf accuracy < 2.0E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.53E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 544.9 secs\n\n total energy = -1655.76366274 Ry\n estimated scf accuracy < 7.9E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.94E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 549.9 secs\n\n total energy = -1655.76366274 Ry\n estimated scf accuracy < 5.9E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 553.8 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8052 -32.7956 -32.7552 -32.7217 -32.6697 -32.6005 -32.1827 -32.1271\n -32.0277 -31.9932 -30.6417 -29.5984 -29.1920 -28.9541 -28.9349 -28.9206\n -28.8717 -28.8587 -28.8487 -28.5710 -28.4549 -28.3871 -28.1561 -28.1152\n -27.4199 -26.8057 -25.5332 -24.7697 -24.3394 -23.9788 -22.7997 -21.9218\n -20.6754 -19.2308 -18.6835 -18.1982 -17.7466 -17.4631 -17.4008 -17.2435\n -17.1018 -16.9454 -16.6120 -16.5688 -16.5527 -16.5349 -16.4449 -16.3875\n -15.6960 -15.6605 -15.4896 -15.3031 -15.1422 -15.0344 -15.0213 -14.8450\n -14.7178 -14.6449 -14.6168 -14.5782 -14.4854 -14.4600 -14.4364 -14.4171\n -14.2899 -14.2575 -14.2489 -14.2366 -14.2114 -14.2083 -14.0632 -14.0013\n -13.9799 -13.9729 -13.9444 -13.8609 -13.8206 -13.7970 -13.7641 -13.7118\n -13.6647 -13.6233 -13.1661 -13.0584 -12.7048 -12.4515 -12.0951 -12.0471\n -11.8000 -11.4620 -11.4170 -11.2886 -10.9428 -10.7553 -10.4701 -9.9807\n -9.9214 -9.7740 -9.7638 -9.6912 -9.6620 -9.6383 -9.6118 -9.5236\n -9.4894 -9.4006 -9.3824 -9.3291 -9.3179 -9.1697 -9.1477 -9.1240\n -9.0597 -8.9957 -8.9685 -8.9087 -8.8456 -8.8298 -8.6368 -8.5965\n -8.5273 -8.2440 -8.1045 -8.0018 -7.7053 -7.5580 -7.2843 -7.1965\n -6.9937 -6.8284 -6.4061 -6.3596 -6.2899 -6.0875 -6.0747 -5.8696\n -5.5832 -4.9223 -4.7878 -4.6318 -4.5267 -4.2203 -4.1395 -4.0586\n -4.0006 -3.9106 -3.8615 -3.6959 -3.6848 -3.6799 -3.6139 -3.5422\n -3.4357 -3.2628 -3.0704 -2.7920 -2.4107 -2.3182 -0.7753 -0.4055\n -0.1537\n\n the Fermi energy is -6.0811 ev\n\n! total energy = -1655.76366277 Ry\n total all-electron energy = -6224.596011 Ry\n estimated scf accuracy < 2.7E-10 Ry\n smearing contrib. (-TS) = -0.00559265 Ry\n internal energy E=F+TS = -1655.75807012 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18274.48795889 Ry\n hartree contribution = 9170.29817452 Ry\n xc contribution = -312.69797026 Ry\n ewald contribution = 8189.10127900 Ry\n DFT-D3 Dispersion = -0.16178102 Ry\n one-center paw contrib. = -427.80981347 Ry\n\n convergence has been achieved in 28 iterations\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00360057 -0.00179015 0.00320582\n atom 2 type 1 force = 0.00013633 0.00118544 0.00070022\n atom 3 type 2 force = 0.00465947 -0.00007569 0.00007632\n atom 4 type 2 force = 0.00181676 -0.00129044 0.00093422\n atom 5 type 1 force = 0.00250498 -0.00012636 0.00141681\n atom 6 type 1 force = -0.00007874 0.00278890 0.00130529\n atom 7 type 2 force = 0.00068120 -0.00160701 -0.00386632\n atom 8 type 2 force = 0.00224419 -0.00227727 0.00238991\n atom 9 type 1 force = 0.00083019 -0.00033613 -0.00315184\n atom 10 type 1 force = 0.00081070 0.00128527 -0.00031390\n atom 11 type 2 force = 0.00087940 -0.00172945 0.00099107\n atom 12 type 2 force = -0.00111315 0.00036465 0.00081760\n atom 13 type 1 force = -0.00001739 -0.00113567 0.00246798\n atom 14 type 1 force = 0.00161145 0.00351119 -0.00300751\n atom 15 type 1 force = 0.00069370 -0.00071255 -0.00310762\n atom 16 type 2 force = -0.00004006 -0.00005092 0.00026660\n atom 17 type 2 force = 0.00047729 0.00184163 -0.00057624\n atom 18 type 1 force = 0.00111090 0.00108513 0.00065181\n atom 19 type 1 force = -0.00090803 0.00042946 0.00119235\n atom 20 type 2 force = 0.00089257 0.00308908 -0.00085037\n atom 21 type 2 force = 0.00097530 0.00071815 0.00126863\n atom 22 type 3 force = -0.00148957 -0.00107981 -0.00029145\n atom 23 type 1 force = 0.00012893 0.00101806 -0.00130670\n atom 24 type 1 force = -0.00168294 -0.00146853 -0.00061287\n atom 25 type 1 force = -0.00117830 0.00029151 0.00083109\n atom 26 type 1 force = -0.00120610 -0.00035504 -0.00059998\n atom 27 type 1 force = -0.00238883 0.00372870 -0.00133538\n atom 28 type 1 force = -0.00232782 -0.00098468 0.00022948\n atom 29 type 3 force = -0.00010197 0.00060952 -0.00042925\n atom 30 type 1 force = -0.00033935 -0.00146214 0.00124453\n atom 31 type 1 force = -0.00322061 0.00172142 -0.00240719\n atom 32 type 2 force = -0.00061969 -0.00508962 -0.00217193\n atom 33 type 2 force = -0.00040098 0.00504489 0.00536067\n atom 34 type 1 force = 0.00069909 0.00058725 0.00054263\n atom 35 type 1 force = -0.00072130 0.00165632 0.00343326\n atom 36 type 2 force = -0.00073892 0.00093812 -0.00246440\n atom 37 type 2 force = -0.00123913 -0.00251751 -0.00076630\n atom 38 type 1 force = 0.00019051 -0.00263999 -0.00110756\n atom 39 type 1 force = -0.00053038 0.00037190 -0.00086691\n atom 40 type 1 force = -0.00189709 -0.00254261 0.00027288\n atom 41 type 2 force = 0.00069489 0.00070362 -0.00078639\n atom 42 type 2 force = 0.00185185 0.00148150 -0.00100264\n atom 43 type 1 force = 0.00036129 -0.00043644 0.00137788\n atom 44 type 1 force = 0.00121110 -0.00270359 0.00366549\n atom 45 type 2 force = -0.00103626 0.00060997 -0.00072266\n atom 46 type 2 force = 0.00032570 -0.00219175 -0.00122164\n atom 47 type 1 force = 0.00013139 0.00242775 -0.00066336\n atom 48 type 1 force = -0.00353275 -0.00328051 -0.00168687\n atom 49 type 2 force = -0.00134371 -0.00103424 0.00206136\n atom 50 type 2 force = -0.00136671 0.00142869 -0.00138662\n\n Total force = 0.021988 Total SCF correction = 0.000035\n Energy error = 5.7E-04 Ry\n Gradient error = 5.4E-03 Ry/Bohr\n\n number of scf cycles = 54\n number of bfgs steps = 53\n\n energy old = -1655.7630971699 Ry\n energy new = -1655.7636627725 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0580486706 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7838950757 9.8147683758 9.2689972448\nN 10.5999407007 9.9675482324 8.0878349495\nO 9.6134761262 9.3601034029 8.4776125172\nO 10.7111908803 10.8738082464 7.2935240692\nN 13.1025823440 8.5422362593 9.2050401772\nN 12.2538733386 7.1142832902 10.4672723728\nO 12.2108991466 7.4519334591 11.6270064941\nO 11.9702569755 6.1232127720 9.8537424245\nN 14.3479769010 8.0797944171 9.6740195494\nN 15.1242313215 8.4547302145 6.7813517594\nO 14.6946506755 9.5368821126 6.4360072005\nO 15.8993852304 7.6706511483 6.2783229284\nN 15.1031173486 8.8581231839 10.3314629107\nN 16.3919954721 8.4182168980 10.3350105102\nN 16.5028257426 6.5252911402 10.0751293963\nO 17.2627477654 6.2269384858 9.1969753866\nO 15.8201045219 5.9101916934 10.8513793743\nN 17.2434003842 8.9825997702 11.1762085011\nN 17.3798311333 8.1907146654 12.8452886230\nO 17.7688080653 7.0441071694 12.8124749946\nO 16.9866350765 8.8995549491 13.7357045351\nC 18.4853584697 9.3053163795 10.5984098581\nN 19.5622887540 8.4535307627 9.8339305137\nN 19.5694850577 9.5683414291 8.7094187637\nN 20.6497206632 10.3270979815 9.5004410895\nN 19.5809601994 11.1586218032 10.2513661335\nN 19.5585587690 10.0444168126 11.3737776912\nN 20.6394499407 9.2714113118 10.5935481429\nC 18.5125716046 10.3420919032 9.4664363210\nN 17.3408679455 10.7876442809 8.8324198158\nN 17.6474909723 11.3789627941 7.1194408573\nO 17.5940967020 12.5859717856 7.0426565742\nO 17.7755885897 10.4977311902 6.3076790943\nN 16.5520361307 11.5342888542 9.5837047797\nN 16.9783868804 13.4253665309 9.9233423633\nO 16.3251570857 14.1711451381 9.2455546879\nO 17.8025317601 13.5709263229 10.7838136433\nN 15.2218212938 11.3204421686 9.4634581241\nN 14.5213538246 12.1726046601 10.0978481391\nN 15.1772636365 11.6365901069 12.9271464405\nO 16.0058658849 12.2893837831 13.5235961143\nO 14.3489572716 10.8224720923 13.2779574911\nN 13.1900934965 11.8510790680 10.4104743190\nN 12.5642288034 13.3761508612 9.0224602995\nO 12.6754363915 13.0446200740 7.8677359818\nO 12.2405762861 14.3828020410 9.5937844150\nN 12.7652884440 10.6147888178 10.3018384087\nN 10.6086235562 10.7107572712 11.4234962465\nO 9.6157115311 11.0400539224 10.7898816222\nO 10.7210988727 10.2753782257 12.5448178827\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 564.0 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 32.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 577.5 secs\n\n total energy = -1655.76150850 Ry\n estimated scf accuracy < 0.02349682 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.77E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.827E-02 0.000E+00\n\n total cpu time spent up to now is 581.6 secs\n\n total energy = -1655.75955032 Ry\n estimated scf accuracy < 0.62374202 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.77E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 585.7 secs\n\n total energy = -1655.76369499 Ry\n estimated scf accuracy < 0.00283769 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.06E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 589.9 secs\n\n total energy = -1655.76385082 Ry\n estimated scf accuracy < 0.00938689 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.06E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 594.2 secs\n\n total energy = -1655.76389921 Ry\n estimated scf accuracy < 0.00202252 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.55E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 598.4 secs\n\n total energy = -1655.76398218 Ry\n estimated scf accuracy < 0.00287661 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.55E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 602.6 secs\n\n total energy = -1655.76402027 Ry\n estimated scf accuracy < 0.00018156 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.77E-08, avg # of iterations = 14.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 608.1 secs\n\n total energy = -1655.76426166 Ry\n estimated scf accuracy < 0.00144580 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.77E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.835E-02 0.000E+00\n\n total cpu time spent up to now is 612.5 secs\n\n total energy = -1655.76427061 Ry\n estimated scf accuracy < 0.00149904 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.77E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 616.7 secs\n\n total energy = -1655.76426509 Ry\n estimated scf accuracy < 0.00118176 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.77E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 621.0 secs\n\n total energy = -1655.76427209 Ry\n estimated scf accuracy < 0.00023321 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.77E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 625.3 secs\n\n total energy = -1655.76427069 Ry\n estimated scf accuracy < 0.00008748 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.26E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.838E-02 0.000E+00\n\n total cpu time spent up to now is 629.5 secs\n\n total energy = -1655.76427127 Ry\n estimated scf accuracy < 0.00007603 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.84E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.838E-02 0.000E+00\n\n total cpu time spent up to now is 633.8 secs\n\n total energy = -1655.76427491 Ry\n estimated scf accuracy < 0.00007488 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.79E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 638.1 secs\n\n total energy = -1655.76427693 Ry\n estimated scf accuracy < 0.00009501 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.79E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.840E-02 0.000E+00\n\n total cpu time spent up to now is 642.3 secs\n\n total energy = -1655.76429396 Ry\n estimated scf accuracy < 0.00009259 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.79E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.850E-02 0.000E+00\n\n total cpu time spent up to now is 646.7 secs\n\n total energy = -1655.76424899 Ry\n estimated scf accuracy < 0.00019125 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.79E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.848E-02 0.000E+00\n\n total cpu time spent up to now is 651.1 secs\n\n total energy = -1655.76426552 Ry\n estimated scf accuracy < 0.00000754 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.81E-09, avg # of iterations = 14.0\n\n negative rho (up, down): 2.844E-02 0.000E+00\n\n total cpu time spent up to now is 657.0 secs\n\n total energy = -1655.76427805 Ry\n estimated scf accuracy < 0.00000951 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.81E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 661.4 secs\n\n total energy = -1655.76427815 Ry\n estimated scf accuracy < 0.00000412 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.54E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 665.7 secs\n\n total energy = -1655.76427847 Ry\n estimated scf accuracy < 0.00000167 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.24E-10, avg # of iterations = 13.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 670.9 secs\n\n total energy = -1655.76427986 Ry\n estimated scf accuracy < 0.00000093 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.48E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 675.3 secs\n\n total energy = -1655.76427998 Ry\n estimated scf accuracy < 0.00000037 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.37E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.826E-02 0.000E+00\n\n total cpu time spent up to now is 680.3 secs\n\n total energy = -1655.76428019 Ry\n estimated scf accuracy < 0.00000033 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.22E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 684.6 secs\n\n total energy = -1655.76428025 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.71E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 689.5 secs\n\n total energy = -1655.76428034 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.80E-11, avg # of iterations = 6.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 694.4 secs\n\n total energy = -1655.76428041 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.80E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 698.7 secs\n\n total energy = -1655.76428042 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.18E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 703.0 secs\n\n total energy = -1655.76428044 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 707.3 secs\n\n total energy = -1655.76428045 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.59E-12, avg # of iterations = 15.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 712.6 secs\n\n total energy = -1655.76428045 Ry\n estimated scf accuracy < 5.9E-09 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.20E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 717.4 secs\n\n total energy = -1655.76428046 Ry\n estimated scf accuracy < 5.0E-09 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.88E-12, avg # of iterations = 4.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 721.8 secs\n\n total energy = -1655.76428047 Ry\n estimated scf accuracy < 2.8E-09 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 726.4 secs\n\n total energy = -1655.76428049 Ry\n estimated scf accuracy < 2.8E-09 Ry\n\n iteration # 35 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 730.7 secs\n\n total energy = -1655.76428051 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 36 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.31E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 735.7 secs\n\n total energy = -1655.76428051 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 37 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.31E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 740.1 secs\n\n total energy = -1655.76428051 Ry\n estimated scf accuracy < 1.3E-09 Ry\n\n iteration # 38 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.31E-13, avg # of iterations = 1.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 743.6 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8418 -32.8086 -32.7651 -32.7232 -32.6550 -32.5866 -32.1459 -32.1327\n -32.0528 -31.9971 -30.6320 -29.5944 -29.1902 -28.9932 -28.9681 -28.9096\n -28.8603 -28.8488 -28.8428 -28.5721 -28.4009 -28.3850 -28.1754 -28.1250\n -27.4199 -26.8037 -25.5368 -24.7652 -24.3286 -23.9781 -22.8047 -21.9283\n -20.6836 -19.2347 -18.6761 -18.2019 -17.7772 -17.4866 -17.4026 -17.2719\n -17.1006 -16.9505 -16.6089 -16.5564 -16.5432 -16.5336 -16.4471 -16.3878\n -15.6956 -15.6647 -15.5064 -15.3225 -15.1450 -15.0383 -15.0282 -14.8517\n -14.7242 -14.6559 -14.6255 -14.6001 -14.4792 -14.4561 -14.4380 -14.4105\n -14.2929 -14.2629 -14.2611 -14.2527 -14.2068 -14.2036 -14.0787 -13.9703\n -13.9682 -13.9491 -13.9437 -13.8700 -13.8300 -13.8049 -13.7634 -13.7019\n -13.6545 -13.6242 -13.1716 -13.0543 -12.6976 -12.4467 -12.1000 -12.0484\n -11.7954 -11.4633 -11.4199 -11.2917 -10.9412 -10.7645 -10.4590 -9.9926\n -9.9246 -9.7780 -9.7681 -9.6888 -9.6578 -9.6343 -9.6074 -9.5315\n -9.5030 -9.3842 -9.3672 -9.3272 -9.3250 -9.1753 -9.1495 -9.1277\n -9.0575 -8.9994 -8.9809 -8.8957 -8.8297 -8.8185 -8.6415 -8.6023\n -8.5288 -8.2520 -8.1148 -8.0082 -7.7111 -7.5627 -7.2987 -7.2030\n -7.0012 -6.8346 -6.4078 -6.3571 -6.2852 -6.0887 -6.0769 -5.8572\n -5.5736 -4.9113 -4.7779 -4.6495 -4.5028 -4.2328 -4.1378 -4.0661\n -4.0159 -3.9149 -3.8631 -3.6968 -3.6790 -3.6615 -3.6113 -3.5411\n -3.4223 -3.2597 -3.0758 -2.7898 -2.4047 -2.3212 -0.7726 -0.4065\n -0.1550\n\n the Fermi energy is -6.0828 ev\n\n! total energy = -1655.76428055 Ry\n total all-electron energy = -6224.596628 Ry\n estimated scf accuracy < 3.5E-10 Ry\n smearing contrib. (-TS) = -0.00560048 Ry\n internal energy E=F+TS = -1655.75868006 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18278.37089624 Ry\n hartree contribution = 9172.22296138 Ry\n xc contribution = -312.69797293 Ry\n ewald contribution = 8191.05843381 Ry\n DFT-D3 Dispersion = -0.16180778 Ry\n one-center paw contrib. = -427.80939831 Ry\n\n convergence has been achieved in 38 iterations\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00345167 -0.00116268 0.00155700\n atom 2 type 1 force = -0.00060639 0.00036741 0.00091703\n atom 3 type 2 force = 0.00271338 0.00033516 -0.00064608\n atom 4 type 2 force = 0.00096319 -0.00152817 0.00105758\n atom 5 type 1 force = 0.00286718 0.00044490 0.00154987\n atom 6 type 1 force = -0.00039009 0.00227502 0.00082167\n atom 7 type 2 force = 0.00048032 -0.00235127 -0.00428985\n atom 8 type 2 force = 0.00298582 -0.00091660 0.00351927\n atom 9 type 1 force = 0.00124492 -0.00089551 -0.00222643\n atom 10 type 1 force = 0.00124062 0.00047772 -0.00017440\n atom 11 type 2 force = -0.00002617 0.00003385 0.00092242\n atom 12 type 2 force = -0.00059045 -0.00053727 0.00086284\n atom 13 type 1 force = -0.00086866 -0.00171307 0.00186700\n atom 14 type 1 force = 0.00021191 0.00363390 -0.00197078\n atom 15 type 1 force = 0.00154414 0.00290184 -0.00218057\n atom 16 type 2 force = 0.00066533 -0.00138776 -0.00123298\n atom 17 type 2 force = -0.00104413 -0.00025689 0.00033254\n atom 18 type 1 force = 0.00204924 0.00061499 -0.00277201\n atom 19 type 1 force = -0.00206633 -0.00125521 0.00404179\n atom 20 type 2 force = 0.00090146 0.00437331 -0.00119394\n atom 21 type 2 force = 0.00175892 0.00037451 -0.00055250\n atom 22 type 3 force = 0.00014951 -0.00044115 -0.00227946\n atom 23 type 1 force = -0.00082802 0.00215062 -0.00052384\n atom 24 type 1 force = -0.00162391 -0.00325425 0.00033561\n atom 25 type 1 force = -0.00197789 0.00075003 0.00049576\n atom 26 type 1 force = -0.00139918 -0.00010121 -0.00068921\n atom 27 type 1 force = -0.00342333 0.00278833 0.00003039\n atom 28 type 1 force = -0.00297406 -0.00002620 0.00046870\n atom 29 type 3 force = 0.00163189 0.00088305 -0.00085657\n atom 30 type 1 force = 0.00218997 -0.00065385 0.00043690\n atom 31 type 1 force = -0.00139749 0.00102279 -0.00189517\n atom 32 type 2 force = -0.00112080 -0.00390302 -0.00231149\n atom 33 type 2 force = -0.00122020 0.00425204 0.00485210\n atom 34 type 1 force = -0.00007915 -0.00216984 0.00185412\n atom 35 type 1 force = -0.00140254 0.00267412 0.00310583\n atom 36 type 2 force = 0.00024642 0.00077492 -0.00155591\n atom 37 type 2 force = -0.00218544 -0.00284329 -0.00188553\n atom 38 type 1 force = -0.00105396 0.00008993 0.00094661\n atom 39 type 1 force = 0.00050545 -0.00073009 -0.00159361\n atom 40 type 1 force = -0.00198247 -0.00302053 0.00290849\n atom 41 type 2 force = 0.00112949 0.00129528 -0.00199662\n atom 42 type 2 force = 0.00149521 0.00134531 -0.00248301\n atom 43 type 1 force = 0.00049934 -0.00067942 0.00155927\n atom 44 type 1 force = 0.00095407 -0.00252038 0.00192844\n atom 45 type 2 force = -0.00117165 0.00161114 0.00104784\n atom 46 type 2 force = 0.00084796 -0.00269321 -0.00171644\n atom 47 type 1 force = 0.00044885 0.00197061 0.00028375\n atom 48 type 1 force = -0.00062111 -0.00314097 -0.00182874\n atom 49 type 2 force = -0.00183964 -0.00003424 0.00097459\n atom 50 type 2 force = -0.00128318 0.00077533 0.00017772\n\n Total force = 0.022231 Total SCF correction = 0.000047\n Energy error = 6.2E-04 Ry\n Gradient error = 4.9E-03 Ry/Bohr\n\n number of scf cycles = 55\n number of bfgs steps = 54\n\n energy old = -1655.7636627725 Ry\n energy new = -1655.7642805451 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0668761360 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7847518727 9.8029619105 9.2761613454\nN 10.6008918759 9.9628021185 8.1001411172\nO 9.6156423538 9.3518436529 8.4871982581\nO 10.7108241221 10.8748178204 7.3115778517\nN 13.1103647455 8.5332564906 9.2110618110\nN 12.2591191760 7.1077733671 10.4714078363\nO 12.2193677777 7.4495585250 11.6280938160\nO 11.9686370193 6.1159880731 9.8642466078\nN 14.3586158722 8.0761427489 9.6757338523\nN 15.1320538000 8.4471905278 6.7736552735\nO 14.6948201547 9.5249654526 6.4242691197\nO 15.9070681021 7.6635710694 6.2693695606\nN 15.1061189897 8.8562909808 10.3416372614\nN 16.3979657229 8.4289645108 10.3390641317\nN 16.5200574858 6.5297936222 10.0673196997\nO 17.2804039890 6.2401399605 9.1861551183\nO 15.8429118356 5.9080974459 10.8456382833\nN 17.2449001495 8.9974927635 11.1850468754\nN 17.3905827318 8.2001333019 12.8418620257\nO 17.7789945406 7.0544636949 12.7984451088\nO 17.0044801897 8.9026314958 13.7386341311\nC 18.4848928151 9.3172910493 10.5991880884\nN 19.5603939856 8.4627916907 9.8314088304\nN 19.5651749608 9.5743790387 8.7049455421\nN 20.6474129542 10.3348583658 9.4926225690\nN 19.5794403502 11.1684534366 10.2406041346\nN 19.5591327836 10.0617347175 11.3662044686\nN 20.6370254374 9.2813933946 10.5886041718\nC 18.5077702200 10.3486994116 9.4625945151\nN 17.3329208615 10.7885597388 8.8291406595\nN 17.6342441793 11.3805434017 7.1182351679\nO 17.5589978261 12.5868726403 7.0382224066\nO 17.7909308174 10.5019013945 6.3091741135\nN 16.5433209140 11.5406898349 9.5729120042\nN 16.9735443596 13.4282169770 9.9288500245\nO 16.3221687506 14.1761576142 9.2555478929\nO 17.7974887604 13.5621758317 10.7893123172\nN 15.2137990655 11.3197982504 9.4570658867\nN 14.5126828569 12.1724841794 10.0868841316\nN 15.1853025339 11.6373672284 12.9338898341\nO 16.0160431759 12.2921909090 13.5258935097\nO 14.3512020344 10.8338612052 13.2940008674\nN 13.1840916012 11.8467072866 10.4088701491\nN 12.5477964796 13.3636319126 9.0251630597\nO 12.6565639858 13.0314064319 7.8707917701\nO 12.2171883807 14.3688772505 9.5924215542\nN 12.7597145157 10.6105342533 10.3034787423\nN 10.6049433187 10.6955384623 11.4221580169\nO 9.6108572628 11.0191779724 10.7878669461\nO 10.7190753502 10.2705048458 12.5480312736\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.781E-02 0.000E+00\n\n total cpu time spent up to now is 753.7 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 34.0\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 767.5 secs\n\n total energy = -1655.76405934 Ry\n estimated scf accuracy < 0.00659249 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.46E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 771.6 secs\n\n total energy = -1655.76297860 Ry\n estimated scf accuracy < 0.22009465 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.46E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 775.7 secs\n\n total energy = -1655.76438845 Ry\n estimated scf accuracy < 0.00204570 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.63E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 779.9 secs\n\n total energy = -1655.76450967 Ry\n estimated scf accuracy < 0.00041957 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.57E-07, avg # of iterations = 11.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 784.9 secs\n\n total energy = -1655.76474365 Ry\n estimated scf accuracy < 0.00019004 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.09E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 789.7 secs\n\n total energy = -1655.76483450 Ry\n estimated scf accuracy < 0.00010217 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.81E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 794.3 secs\n\n total energy = -1655.76485289 Ry\n estimated scf accuracy < 0.00001761 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.57E-09, avg # of iterations = 14.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 800.3 secs\n\n total energy = -1655.76487695 Ry\n estimated scf accuracy < 0.00001720 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.42E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 804.6 secs\n\n total energy = -1655.76487782 Ry\n estimated scf accuracy < 0.00001546 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.77E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 808.9 secs\n\n total energy = -1655.76487816 Ry\n estimated scf accuracy < 0.00000352 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.31E-09, avg # of iterations = 14.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 814.1 secs\n\n total energy = -1655.76488101 Ry\n estimated scf accuracy < 0.00000291 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-09, avg # of iterations = 4.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 818.6 secs\n\n total energy = -1655.76488127 Ry\n estimated scf accuracy < 0.00000186 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.95E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 823.0 secs\n\n total energy = -1655.76488141 Ry\n estimated scf accuracy < 0.00000029 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-10, avg # of iterations = 16.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 829.2 secs\n\n total energy = -1655.76488196 Ry\n estimated scf accuracy < 0.00000046 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 833.5 secs\n\n total energy = -1655.76488197 Ry\n estimated scf accuracy < 0.00000022 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.15E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 837.9 secs\n\n total energy = -1655.76488200 Ry\n estimated scf accuracy < 0.00000009 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.36E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 842.7 secs\n\n total energy = -1655.76488205 Ry\n estimated scf accuracy < 0.00000007 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.73E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 847.1 secs\n\n total energy = -1655.76488206 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.73E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 851.4 secs\n\n total energy = -1655.76488206 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.20E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 855.9 secs\n\n total energy = -1655.76488207 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.44E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 860.3 secs\n\n total energy = -1655.76488207 Ry\n estimated scf accuracy < 9.9E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.70E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 865.7 secs\n\n total energy = -1655.76488208 Ry\n estimated scf accuracy < 3.8E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.42E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 870.8 secs\n\n total energy = -1655.76488209 Ry\n estimated scf accuracy < 1.5E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.49E-13, avg # of iterations = 12.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 875.7 secs\n\n total energy = -1655.76488209 Ry\n estimated scf accuracy < 5.5E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.03E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 880.8 secs\n\n total energy = -1655.76488209 Ry\n estimated scf accuracy < 8.8E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.03E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 884.6 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8744 -32.8384 -32.7877 -32.7110 -32.6915 -32.5955 -32.1354 -32.1268\n -32.0428 -31.9847 -30.6405 -29.5973 -29.1983 -29.0428 -28.9824 -28.9335\n -28.8936 -28.8405 -28.8274 -28.5709 -28.3830 -28.3777 -28.1667 -28.1154\n -27.4226 -26.8056 -25.5457 -24.7772 -24.3325 -23.9782 -22.8081 -21.9345\n -20.6903 -19.2336 -18.6735 -18.2039 -17.7995 -17.4998 -17.3871 -17.2878\n -17.0945 -16.9463 -16.6012 -16.5522 -16.5354 -16.5257 -16.4419 -16.3869\n -15.7031 -15.6661 -15.5123 -15.3407 -15.1569 -15.0509 -15.0331 -14.8553\n -14.7439 -14.6778 -14.6374 -14.6018 -14.4991 -14.4623 -14.4438 -14.4124\n -14.3045 -14.2934 -14.2685 -14.2575 -14.1971 -14.1929 -14.0795 -13.9645\n -13.9555 -13.9416 -13.9350 -13.8647 -13.8249 -13.7978 -13.7538 -13.6897\n -13.6451 -13.6158 -13.1760 -13.0545 -12.6989 -12.4434 -12.1056 -12.0606\n -11.7958 -11.4612 -11.4202 -11.3040 -10.9421 -10.7763 -10.4551 -10.0021\n -9.9266 -9.7859 -9.7711 -9.6941 -9.6563 -9.6374 -9.5979 -9.5468\n -9.5079 -9.3799 -9.3568 -9.3295 -9.3214 -9.1835 -9.1587 -9.1288\n -9.0489 -8.9989 -8.9784 -8.8993 -8.8251 -8.8091 -8.6415 -8.5946\n -8.5215 -8.2512 -8.1224 -8.0141 -7.7151 -7.5672 -7.3076 -7.2012\n -7.0046 -6.8375 -6.4058 -6.3495 -6.2816 -6.0861 -6.0756 -5.8449\n -5.5681 -4.8976 -4.7754 -4.6756 -4.4813 -4.2371 -4.1322 -4.0731\n -4.0216 -3.9030 -3.8456 -3.6959 -3.6750 -3.6499 -3.6024 -3.5362\n -3.4110 -3.2502 -3.0758 -2.7918 -2.3953 -2.3225 -0.7507 -0.4066\n -0.1552\n\n the Fermi energy is -6.0808 ev\n\n! total energy = -1655.76488211 Ry\n total all-electron energy = -6224.597230 Ry\n estimated scf accuracy < 1.5E-10 Ry\n smearing contrib. (-TS) = -0.00560886 Ry\n internal energy E=F+TS = -1655.75927325 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18278.86087701 Ry\n hartree contribution = 9172.45438930 Ry\n xc contribution = -312.71589085 Ry\n ewald contribution = 8191.33406959 Ry\n DFT-D3 Dispersion = -0.16181197 Ry\n one-center paw contrib. = -427.80915231 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00290269 0.00011023 0.00048673\n atom 2 type 1 force = -0.00129270 0.00036795 0.00002268\n atom 3 type 2 force = -0.00085219 0.00043810 -0.00110868\n atom 4 type 2 force = -0.00035650 -0.00234552 0.00182571\n atom 5 type 1 force = 0.00241876 0.00074500 0.00155154\n atom 6 type 1 force = 0.00039940 0.00293825 -0.00145931\n atom 7 type 2 force = 0.00035935 -0.00027506 0.00108675\n atom 8 type 2 force = 0.00244823 -0.00352191 0.00069201\n atom 9 type 1 force = 0.00110149 -0.00040521 -0.00112842\n atom 10 type 1 force = 0.00144568 0.00019744 -0.00015323\n atom 11 type 2 force = -0.00011116 0.00029777 0.00094544\n atom 12 type 2 force = -0.00069292 -0.00047065 0.00100140\n atom 13 type 1 force = -0.00066421 -0.00209120 0.00034334\n atom 14 type 1 force = -0.00064285 0.00316609 -0.00109699\n atom 15 type 1 force = 0.00050139 0.00144775 0.00046710\n atom 16 type 2 force = -0.00118568 -0.00127300 0.00032731\n atom 17 type 2 force = 0.00171263 0.00156508 -0.00339734\n atom 18 type 1 force = 0.00250511 0.00009853 -0.00550336\n atom 19 type 1 force = -0.00181714 -0.00194364 0.00216576\n atom 20 type 2 force = 0.00174840 0.00211353 -0.00107087\n atom 21 type 2 force = 0.00063925 0.00265621 0.00181612\n atom 22 type 3 force = 0.00010465 0.00027707 -0.00261005\n atom 23 type 1 force = -0.00167255 0.00207623 0.00126802\n atom 24 type 1 force = -0.00086384 -0.00369829 0.00067079\n atom 25 type 1 force = -0.00145866 0.00077109 -0.00043950\n atom 26 type 1 force = -0.00170355 0.00077856 -0.00085628\n atom 27 type 1 force = -0.00347044 0.00070236 0.00134728\n atom 28 type 1 force = -0.00104502 0.00141533 0.00062502\n atom 29 type 3 force = 0.00194478 0.00111794 -0.00165080\n atom 30 type 1 force = 0.00311160 0.00069719 -0.00105444\n atom 31 type 1 force = 0.00061612 0.00266276 -0.00151148\n atom 32 type 2 force = -0.00168530 -0.00502380 -0.00192792\n atom 33 type 2 force = -0.00202063 0.00317409 0.00390118\n atom 34 type 1 force = 0.00049112 -0.00372245 0.00311161\n atom 35 type 1 force = -0.00196810 -0.00229816 0.00199853\n atom 36 type 2 force = -0.00187131 0.00462771 -0.00360324\n atom 37 type 2 force = -0.00010338 -0.00187445 0.00061182\n atom 38 type 1 force = 0.00038288 -0.00073967 0.00097231\n atom 39 type 1 force = -0.00094303 0.00050833 0.00042780\n atom 40 type 1 force = -0.00109936 -0.00212373 0.00308603\n atom 41 type 2 force = 0.00140643 0.00155180 -0.00227035\n atom 42 type 2 force = 0.00029738 0.00015771 -0.00248189\n atom 43 type 1 force = -0.00010442 -0.00094376 0.00091510\n atom 44 type 1 force = 0.00094204 -0.00377241 0.00033389\n atom 45 type 2 force = -0.00049527 0.00042032 -0.00057507\n atom 46 type 2 force = 0.00020287 0.00050330 0.00114936\n atom 47 type 1 force = 0.00091052 0.00059867 0.00092507\n atom 48 type 1 force = 0.00030535 -0.00281896 0.00040023\n atom 49 type 2 force = 0.00067571 0.00009059 0.00097899\n atom 50 type 2 force = -0.00145362 0.00106891 -0.00155570\n\n Total force = 0.021701 Total SCF correction = 0.000025\n Energy error = 6.0E-04 Ry\n Gradient error = 5.5E-03 Ry/Bohr\n\n number of scf cycles = 56\n number of bfgs steps = 55\n\n energy old = -1655.7642805451 Ry\n energy new = -1655.7648821057 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0511660391 bohr\n new conv_thr = 0.0000000006 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7883303557 9.7937507703 9.2847853721\nN 10.6003642566 9.9591477820 8.1094592550\nO 9.6157927379 9.3456796783 8.4930925668\nO 10.7108721250 10.8747150968 7.3254171949\nN 13.1187679228 8.5267191466 9.2176139177\nN 12.2636432240 7.1039758968 10.4731692905\nO 12.2253652359 7.4479447274 11.6298569384\nO 11.9679573324 6.1079242291 9.8727568580\nN 14.3699886270 8.0735532247 9.6726869782\nN 15.1380683578 8.4418601047 6.7689059595\nO 14.6946151028 9.5164037901 6.4168334890\nO 15.9119377503 7.6578629119 6.2635857149\nN 15.1092605717 8.8539017797 10.3496981602\nN 16.4042644299 8.4427654392 10.3385614622\nN 16.5341190032 6.5350002089 10.0593256075\nO 17.2926714503 6.2482913791 9.1775714385\nO 15.8606757251 5.9131549179 10.8380774719\nN 17.2467932275 9.0115573265 11.1893248409\nN 17.3969794020 8.2083164725 12.8406659460\nO 17.7888125941 7.0642462714 12.7863656309\nO 17.0187919837 8.9074366613 13.7444613418\nC 18.4848924118 9.3268275879 10.5992463201\nN 19.5580183681 8.4697224773 9.8311645466\nN 19.5613055583 9.5754737748 8.7021164839\nN 20.6449837934 10.3399888369 9.4862384389\nN 19.5776970994 11.1757116375 10.2320433587\nN 19.5581940091 10.0750363489 11.3614765243\nN 20.6348170631 9.2886309355 10.5854620671\nC 18.5055362104 10.3537263399 9.4589866216\nN 17.3285057558 10.7895343877 8.8262514581\nN 17.6231196936 11.3827580596 7.1166858660\nO 17.5323572609 12.5855874063 7.0335605487\nO 17.8010916573 10.5065853217 6.3121812751\nN 16.5380489229 11.5427554971 9.5668590625\nN 16.9671083842 13.4276551966 9.9340942285\nO 16.3180501429 14.1802405425 9.2607003813\nO 17.7930073988 13.5533948406 10.7947787638\nN 15.2085733614 11.3172261400 9.4529882403\nN 14.5060257018 12.1721605170 10.0790802915\nN 15.1909997543 11.6368458004 12.9393363467\nO 16.0234779378 12.2950643390 13.5249852151\nO 14.3521328424 10.8421472776 13.3037306881\nN 13.1796571976 11.8437593532 10.4083510334\nN 12.5367741349 13.3509705473 9.0286376581\nO 12.6422868302 13.0212176849 7.8725793743\nO 12.2000475652 14.3563207447 9.5930167688\nN 12.7547658417 10.6087057876 10.3060123465\nN 10.6006392219 10.6827190020 11.4211180556\nO 9.6066420876 11.0036220506 10.7875740167\nO 10.7158654212 10.2670820086 12.5493303174\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 894.7 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 32.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 907.9 secs\n\n total energy = -1655.76428048 Ry\n estimated scf accuracy < 0.00795761 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.97E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 912.0 secs\n\n total energy = -1655.76273183 Ry\n estimated scf accuracy < 0.31019242 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.97E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 916.2 secs\n\n total energy = -1655.76493540 Ry\n estimated scf accuracy < 0.00181768 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.78E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 920.5 secs\n\n total energy = -1655.76499914 Ry\n estimated scf accuracy < 0.00083217 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.11E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 924.9 secs\n\n total energy = -1655.76511222 Ry\n estimated scf accuracy < 0.00027758 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-07, avg # of iterations = 12.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 930.1 secs\n\n total energy = -1655.76533628 Ry\n estimated scf accuracy < 0.00009904 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.70E-08, avg # of iterations = 13.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 935.3 secs\n\n total energy = -1655.76540932 Ry\n estimated scf accuracy < 0.00005226 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.95E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 939.8 secs\n\n total energy = -1655.76540316 Ry\n estimated scf accuracy < 0.00005070 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.89E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 944.1 secs\n\n total energy = -1655.76540649 Ry\n estimated scf accuracy < 0.00001068 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.98E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 949.7 secs\n\n total energy = -1655.76541897 Ry\n estimated scf accuracy < 0.00001307 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.98E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 954.0 secs\n\n total energy = -1655.76541776 Ry\n estimated scf accuracy < 0.00000841 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.14E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 958.6 secs\n\n total energy = -1655.76541909 Ry\n estimated scf accuracy < 0.00000856 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.14E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 962.9 secs\n\n total energy = -1655.76541929 Ry\n estimated scf accuracy < 0.00000104 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.90E-10, avg # of iterations = 13.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 968.5 secs\n\n total energy = -1655.76542047 Ry\n estimated scf accuracy < 0.00000110 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.90E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 972.8 secs\n\n total energy = -1655.76542056 Ry\n estimated scf accuracy < 0.00000047 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.74E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 977.7 secs\n\n total energy = -1655.76542076 Ry\n estimated scf accuracy < 0.00000032 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.19E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 982.5 secs\n\n total energy = -1655.76542085 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.82E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 987.6 secs\n\n total energy = -1655.76542093 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.70E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 992.0 secs\n\n total energy = -1655.76542095 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.05E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 996.5 secs\n\n total energy = -1655.76542097 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.97E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 1000.8 secs\n\n total energy = -1655.76542098 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.48E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 1005.9 secs\n\n total energy = -1655.76542100 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.16E-12, avg # of iterations = 4.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 1010.3 secs\n\n total energy = -1655.76542101 Ry\n estimated scf accuracy < 3.2E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.18E-12, avg # of iterations = 13.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 1015.7 secs\n\n total energy = -1655.76542102 Ry\n estimated scf accuracy < 2.8E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 1020.1 secs\n\n total energy = -1655.76542102 Ry\n estimated scf accuracy < 1.0E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.83E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 1024.7 secs\n\n total energy = -1655.76542103 Ry\n estimated scf accuracy < 4.1E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.83E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 1028.3 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8605 -32.8544 -32.8040 -32.7618 -32.6553 -32.5632 -32.1565 -32.1223\n -32.0727 -31.9879 -30.6512 -29.6030 -29.2037 -29.0379 -29.0139 -28.9060\n -28.8873 -28.8671 -28.7919 -28.5790 -28.4092 -28.3743 -28.1863 -28.1212\n -27.4358 -26.8102 -25.5582 -24.7929 -24.3411 -23.9857 -22.8168 -21.9451\n -20.6986 -19.2373 -18.6785 -18.2110 -17.8158 -17.5106 -17.3639 -17.2976\n -17.0880 -16.9399 -16.5932 -16.5510 -16.5374 -16.5250 -16.4383 -16.3877\n -15.7144 -15.6737 -15.5137 -15.3483 -15.1709 -15.0587 -15.0439 -14.8572\n -14.7400 -14.6820 -14.6374 -14.6093 -14.4822 -14.4720 -14.4463 -14.3854\n -14.3160 -14.2983 -14.2791 -14.2352 -14.2027 -14.1656 -14.0867 -13.9683\n -13.9617 -13.9544 -13.9370 -13.8780 -13.8312 -13.7999 -13.7496 -13.6947\n -13.6492 -13.6170 -13.1791 -13.0571 -12.7016 -12.4466 -12.1142 -12.0624\n -11.7989 -11.4606 -11.4193 -11.3211 -10.9455 -10.7888 -10.4588 -10.0147\n -9.9254 -9.7967 -9.7737 -9.6962 -9.6563 -9.6199 -9.5778 -9.5473\n -9.5163 -9.3800 -9.3689 -9.3375 -9.3227 -9.1943 -9.1674 -9.1041\n -9.0346 -9.0059 -8.9688 -8.9039 -8.8306 -8.8164 -8.6464 -8.5963\n -8.5190 -8.2513 -8.1262 -8.0207 -7.7170 -7.5734 -7.3120 -7.2007\n -7.0074 -6.8401 -6.4081 -6.3442 -6.2822 -6.0821 -6.0720 -5.8366\n -5.5679 -4.8924 -4.7802 -4.6961 -4.4701 -4.2539 -4.1208 -4.0579\n -4.0374 -3.8972 -3.8303 -3.6922 -3.6728 -3.6511 -3.5971 -3.5292\n -3.4043 -3.2427 -3.0750 -2.8003 -2.3833 -2.3233 -0.7311 -0.4063\n -0.1538\n\n the Fermi energy is -6.0770 ev\n\n! total energy = -1655.76542106 Ry\n total all-electron energy = -6224.597769 Ry\n estimated scf accuracy < 4.2E-10 Ry\n smearing contrib. (-TS) = -0.00561168 Ry\n internal energy E=F+TS = -1655.75980938 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18281.56535663 Ry\n hartree contribution = 9173.78900318 Ry\n xc contribution = -312.73401898 Ry\n ewald contribution = 8192.72149793 Ry\n DFT-D3 Dispersion = -0.16192001 Ry\n one-center paw contrib. = -427.80901486 Ry\n\n convergence has been achieved in 27 iterations\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00196640 0.00121065 -0.00117767\n atom 2 type 1 force = -0.00085737 -0.00031118 -0.00007040\n atom 3 type 2 force = -0.00373962 0.00009577 -0.00106992\n atom 4 type 2 force = -0.00159807 -0.00187306 0.00147510\n atom 5 type 1 force = 0.00136586 0.00102630 0.00058011\n atom 6 type 1 force = -0.00047067 -0.00051689 -0.00069031\n atom 7 type 2 force = 0.00051675 0.00027212 0.00044533\n atom 8 type 2 force = 0.00345775 -0.00049099 0.00099371\n atom 9 type 1 force = 0.00132244 -0.00019952 0.00059233\n atom 10 type 1 force = 0.00115575 0.00035012 0.00029766\n atom 11 type 2 force = 0.00012314 0.00008750 0.00085884\n atom 12 type 2 force = -0.00061703 -0.00038604 0.00080430\n atom 13 type 1 force = -0.00041114 -0.00118880 -0.00081249\n atom 14 type 1 force = -0.00183641 0.00045196 -0.00096351\n atom 15 type 1 force = 0.00081070 0.00474888 0.00074238\n atom 16 type 2 force = 0.00124514 -0.00178911 -0.00271091\n atom 17 type 2 force = -0.00102040 -0.00107107 -0.00039831\n atom 18 type 1 force = 0.00128932 0.00036767 -0.00604131\n atom 19 type 1 force = -0.00120238 -0.00098068 0.00283719\n atom 20 type 2 force = 0.00104816 0.00234892 0.00030978\n atom 21 type 2 force = 0.00116321 0.00058299 -0.00011661\n atom 22 type 3 force = 0.00024607 0.00131342 -0.00225498\n atom 23 type 1 force = -0.00190767 0.00128688 0.00268615\n atom 24 type 1 force = 0.00022693 -0.00238427 0.00062122\n atom 25 type 1 force = -0.00088372 0.00035289 -0.00079812\n atom 26 type 1 force = -0.00141831 0.00126156 -0.00140316\n atom 27 type 1 force = -0.00244169 -0.00063036 0.00149915\n atom 28 type 1 force = -0.00014904 0.00270520 0.00098503\n atom 29 type 3 force = 0.00126309 0.00063711 -0.00222238\n atom 30 type 1 force = 0.00357961 0.00188798 -0.00229730\n atom 31 type 1 force = 0.00214568 0.00080714 0.00162805\n atom 32 type 2 force = -0.00278464 0.00106737 -0.00150809\n atom 33 type 2 force = -0.00186628 -0.00166059 -0.00002785\n atom 34 type 1 force = -0.00107993 -0.00430118 0.00405793\n atom 35 type 1 force = -0.00301340 -0.00052090 -0.00055401\n atom 36 type 2 force = 0.00158156 0.00195396 0.00037586\n atom 37 type 2 force = -0.00244552 -0.00096648 -0.00116903\n atom 38 type 1 force = 0.00022881 0.00065273 0.00248437\n atom 39 type 1 force = 0.00040595 -0.00061576 0.00056746\n atom 40 type 1 force = 0.00049896 -0.00027877 0.00098271\n atom 41 type 2 force = 0.00139126 0.00139161 -0.00159067\n atom 42 type 2 force = -0.00132080 -0.00154996 -0.00110316\n atom 43 type 1 force = -0.00013453 -0.00072910 0.00042090\n atom 44 type 1 force = -0.00027942 -0.00133110 -0.00217880\n atom 45 type 2 force = 0.00006250 -0.00050383 0.00047271\n atom 46 type 2 force = 0.00065294 0.00011903 0.00216443\n atom 47 type 1 force = 0.00099968 -0.00172354 0.00213094\n atom 48 type 1 force = 0.00242260 -0.00152340 0.00030178\n atom 49 type 2 force = 0.00040650 0.00085984 -0.00102029\n atom 50 type 2 force = -0.00009874 -0.00031297 0.00086390\n\n Total force = 0.019331 Total SCF correction = 0.000044\n Energy error = 5.4E-04 Ry\n Gradient error = 6.0E-03 Ry/Bohr\n\n number of scf cycles = 57\n number of bfgs steps = 56\n\n energy old = -1655.7648821057 Ry\n energy new = -1655.7654210592 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0659680823 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7917736921 9.7841657545 9.2895971772\nN 10.5983277411 9.9533578035 8.1205962242\nO 9.6137129174 9.3372447663 8.4992387881\nO 10.7087677145 10.8740327932 7.3434968056\nN 13.1266980142 8.5190612292 9.2246536944\nN 12.2663085044 7.0992305789 10.4765622363\nO 12.2332546594 7.4446845424 11.6322185611\nO 11.9686278298 6.1002679354 9.8826847249\nN 14.3783508823 8.0677114776 9.6761247398\nN 15.1463212430 8.4346891106 6.7603946203\nO 14.6948833683 9.5047000332 6.4062750171\nO 15.9193699686 7.6510000412 6.2550434275\nN 15.1107286748 8.8499796449 10.3596550848\nN 16.4077722370 8.4538096411 10.3396408642\nN 16.5508695664 6.5422730769 10.0530479377\nO 17.3088294682 6.2598610463 9.1676041871\nO 15.8818240777 5.9113627467 10.8313816326\nN 17.2499471767 9.0243966640 11.1885099758\nN 17.4052508200 8.2147479450 12.8400823293\nO 17.7998543297 7.0734024552 12.7742849445\nO 17.0364254518 8.9115221579 13.7482806298\nC 18.4850097491 9.3380623789 10.5960860042\nN 19.5559046362 8.4800431560 9.8316543575\nN 19.5581273634 9.5778675353 8.6985561509\nN 20.6417284591 10.3489943976 9.4791499399\nN 19.5739521552 11.1864662622 10.2218533385\nN 19.5547549415 10.0905962429 11.3568348236\nN 20.6325004010 9.3012325676 10.5826258203\nC 18.5038712010 10.3607639228 9.4527794591\nN 17.3258927910 10.7923918891 8.8208043750\nN 17.6128681791 11.3857993977 7.1150193301\nO 17.4981705678 12.5872938691 7.0267061544\nO 17.8141610116 10.5100154672 6.3151381483\nN 16.5315638974 11.5424787171 9.5629791431\nN 16.9592785265 13.4290648729 9.9402589426\nO 16.3146502628 14.1882729662 9.2695726575\nO 17.7884842190 13.5447457563 10.7988580732\nN 15.2035120732 11.3161237470 9.4484876929\nN 14.4993357977 12.1729853659 10.0698830081\nN 15.1990330384 11.6371152215 12.9486645004\nO 16.0350314086 12.2994280694 13.5266638803\nO 14.3527329320 10.8520560051 13.3171218090\nN 13.1752341145 11.8387792044 10.4072478436\nN 12.5210288004 13.3391041579 9.0305097921\nO 12.6238751590 13.0099632796 7.8733565050\nO 12.1781397009 14.3447994173 9.5922133177\nN 12.7526643785 10.6038889926 10.3081518991\nN 10.5975350985 10.6671822218 11.4205003812\nO 9.6032243400 10.9859232886 10.7867198583\nO 10.7125295028 10.2627384447 12.5530309250\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 1038.4 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 34.0\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 1051.8 secs\n\n total energy = -1655.76487515 Ry\n estimated scf accuracy < 0.00772120 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.88E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 1056.0 secs\n\n total energy = -1655.76309100 Ry\n estimated scf accuracy < 0.35874011 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.88E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 1060.1 secs\n\n total energy = -1655.76544527 Ry\n estimated scf accuracy < 0.00158421 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.91E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 1064.3 secs\n\n total energy = -1655.76553289 Ry\n estimated scf accuracy < 0.00107018 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.99E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 1068.5 secs\n\n total energy = -1655.76559641 Ry\n estimated scf accuracy < 0.00020496 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.65E-08, avg # of iterations = 17.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 1074.1 secs\n\n total energy = -1655.76586364 Ry\n estimated scf accuracy < 0.00012027 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.49E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 1078.4 secs\n\n total energy = -1655.76587490 Ry\n estimated scf accuracy < 0.00010958 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.09E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 1082.8 secs\n\n total energy = -1655.76585949 Ry\n estimated scf accuracy < 0.00010077 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.76E-08, avg # of iterations = 11.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 1087.4 secs\n\n total energy = -1655.76586998 Ry\n estimated scf accuracy < 0.00008011 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.99E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 1091.8 secs\n\n total energy = -1655.76587685 Ry\n estimated scf accuracy < 0.00001232 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.60E-09, avg # of iterations = 12.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 1097.9 secs\n\n total energy = -1655.76589633 Ry\n estimated scf accuracy < 0.00001305 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.60E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 1102.3 secs\n\n total energy = -1655.76589632 Ry\n estimated scf accuracy < 0.00000724 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.70E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 1106.7 secs\n\n total energy = -1655.76589578 Ry\n estimated scf accuracy < 0.00000880 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.70E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 1111.6 secs\n\n total energy = -1655.76589696 Ry\n estimated scf accuracy < 0.00000545 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.03E-09, avg # of iterations = 4.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 1116.0 secs\n\n total energy = -1655.76589742 Ry\n estimated scf accuracy < 0.00000170 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.35E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 1121.2 secs\n\n total energy = -1655.76589847 Ry\n estimated scf accuracy < 0.00000143 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.34E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 1125.7 secs\n\n total energy = -1655.76589855 Ry\n estimated scf accuracy < 0.00000094 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.49E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 1130.0 secs\n\n total energy = -1655.76589860 Ry\n estimated scf accuracy < 0.00000036 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.35E-10, avg # of iterations = 13.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 1135.3 secs\n\n total energy = -1655.76589887 Ry\n estimated scf accuracy < 0.00000052 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.35E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 1139.8 secs\n\n total energy = -1655.76589891 Ry\n estimated scf accuracy < 0.00000018 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.64E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 1144.6 secs\n\n total energy = -1655.76589896 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.91E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 1149.5 secs\n\n total energy = -1655.76589902 Ry\n estimated scf accuracy < 0.00000009 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.22E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 1153.9 secs\n\n total energy = -1655.76589904 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.17E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 1158.8 secs\n\n total energy = -1655.76589907 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.46E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 1163.2 secs\n\n total energy = -1655.76589909 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.30E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 1167.7 secs\n\n total energy = -1655.76589911 Ry\n estimated scf accuracy < 5.6E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.07E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 1173.1 secs\n\n total energy = -1655.76589912 Ry\n estimated scf accuracy < 3.8E-09 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.41E-12, avg # of iterations = 4.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 1177.6 secs\n\n total energy = -1655.76589913 Ry\n estimated scf accuracy < 2.0E-09 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.54E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 1182.4 secs\n\n total energy = -1655.76589913 Ry\n estimated scf accuracy < 2.1E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.54E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 1186.8 secs\n\n total energy = -1655.76589913 Ry\n estimated scf accuracy < 9.6E-10 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.59E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 1191.6 secs\n\n total energy = -1655.76589914 Ry\n estimated scf accuracy < 6.1E-10 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.29E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 1195.5 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8621 -32.8546 -32.7792 -32.7539 -32.6667 -32.5297 -32.1498 -32.1402\n -32.0719 -31.9943 -30.6635 -29.6093 -29.2132 -29.0423 -28.9695 -28.9400\n -28.8866 -28.8613 -28.7497 -28.5831 -28.4211 -28.3936 -28.1827 -28.1224\n -27.4433 -26.8144 -25.5712 -24.8069 -24.3526 -23.9966 -22.8197 -21.9636\n -20.7064 -19.2410 -18.6884 -18.2158 -17.8251 -17.5229 -17.3444 -17.2929\n -17.0886 -16.9354 -16.5905 -16.5530 -16.5462 -16.5263 -16.4346 -16.3899\n -15.7295 -15.6810 -15.5004 -15.3463 -15.1785 -15.0665 -15.0476 -14.8573\n -14.7492 -14.6832 -14.6200 -14.5922 -14.4904 -14.4775 -14.4521 -14.3603\n -14.3293 -14.3010 -14.2582 -14.2312 -14.2037 -14.1443 -14.0862 -13.9797\n -13.9703 -13.9582 -13.9496 -13.8778 -13.8279 -13.7979 -13.7434 -13.6934\n -13.6525 -13.6219 -13.1756 -13.0594 -12.7087 -12.4461 -12.1175 -12.0684\n -11.8030 -11.4608 -11.4170 -11.3341 -10.9493 -10.7932 -10.4637 -10.0214\n -9.9220 -9.8025 -9.7778 -9.6989 -9.6591 -9.6159 -9.5706 -9.5369\n -9.5071 -9.3901 -9.3811 -9.3443 -9.3195 -9.2031 -9.1715 -9.0931\n -9.0220 -8.9993 -8.9557 -8.9051 -8.8434 -8.8273 -8.6510 -8.5904\n -8.5137 -8.2450 -8.1291 -8.0308 -7.7193 -7.5794 -7.3154 -7.1969\n -7.0113 -6.8435 -6.4086 -6.3430 -6.2863 -6.0790 -6.0696 -5.8324\n -5.5711 -4.8942 -4.7897 -4.7100 -4.4688 -4.2605 -4.1309 -4.0547\n -4.0401 -3.8877 -3.8201 -3.6914 -3.6721 -3.6655 -3.5951 -3.5241\n -3.4029 -3.2383 -3.0745 -2.8101 -2.3782 -2.3284 -0.7226 -0.4063\n -0.1533\n\n the Fermi energy is -6.0743 ev\n\n! total energy = -1655.76589917 Ry\n total all-electron energy = -6224.598247 Ry\n estimated scf accuracy < 2.2E-10 Ry\n smearing contrib. (-TS) = -0.00561548 Ry\n internal energy E=F+TS = -1655.76028368 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18280.45415652 Ry\n hartree contribution = 9173.22665344 Ry\n xc contribution = -312.73983686 Ry\n ewald contribution = 8192.17812789 Ry\n DFT-D3 Dispersion = -0.16195089 Ry\n one-center paw contrib. = -427.80912075 Ry\n\n convergence has been achieved in 32 iterations\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00172643 0.00198690 -0.00117054\n atom 2 type 1 force = -0.00108350 -0.00147486 0.00004000\n atom 3 type 2 force = -0.00491984 -0.00051252 -0.00077816\n atom 4 type 2 force = -0.00169481 -0.00061030 0.00047973\n atom 5 type 1 force = 0.00005754 0.00045357 -0.00034306\n atom 6 type 1 force = 0.00012970 -0.00121259 -0.00082882\n atom 7 type 2 force = 0.00031853 0.00174962 0.00290332\n atom 8 type 2 force = 0.00310604 -0.00120718 -0.00095940\n atom 9 type 1 force = 0.00006055 0.00028274 0.00099724\n atom 10 type 1 force = 0.00035534 0.00014795 0.00193292\n atom 11 type 2 force = -0.00012999 0.00117544 0.00028872\n atom 12 type 2 force = 0.00043331 -0.00123792 -0.00008460\n atom 13 type 1 force = 0.00033886 0.00007331 -0.00187821\n atom 14 type 1 force = -0.00083530 -0.00110798 -0.00103973\n atom 15 type 1 force = -0.00004346 0.00038340 0.00104631\n atom 16 type 2 force = -0.00082442 -0.00025461 -0.00016070\n atom 17 type 2 force = 0.00162206 0.00194659 -0.00330800\n atom 18 type 1 force = -0.00154816 -0.00014854 -0.00434774\n atom 19 type 1 force = 0.00041577 0.00079286 -0.00024411\n atom 20 type 2 force = 0.00113922 -0.00012810 0.00172763\n atom 21 type 2 force = 0.00010969 0.00096573 0.00164737\n atom 22 type 3 force = -0.00009940 0.00225890 -0.00160455\n atom 23 type 1 force = -0.00123045 -0.00003747 0.00343542\n atom 24 type 1 force = 0.00140934 -0.00049180 0.00018980\n atom 25 type 1 force = -0.00004219 -0.00033381 -0.00076500\n atom 26 type 1 force = -0.00041580 0.00115961 -0.00157055\n atom 27 type 1 force = -0.00062638 -0.00068920 0.00062665\n atom 28 type 1 force = 0.00034313 0.00299905 0.00118640\n atom 29 type 3 force = 0.00036885 0.00009207 -0.00210629\n atom 30 type 1 force = 0.00086296 0.00351004 -0.00242368\n atom 31 type 1 force = 0.00259494 0.00281240 0.00095424\n atom 32 type 2 force = -0.00272729 -0.00218325 -0.00124739\n atom 33 type 2 force = -0.00231696 -0.00068314 0.00023236\n atom 34 type 1 force = 0.00045415 -0.00361887 0.00318313\n atom 35 type 1 force = -0.00308206 -0.00106324 -0.00216605\n atom 36 type 2 force = 0.00210896 0.00107208 0.00131763\n atom 37 type 2 force = -0.00255089 -0.00007565 -0.00048101\n atom 38 type 1 force = 0.00005246 -0.00021647 0.00265170\n atom 39 type 1 force = 0.00032322 -0.00129361 0.00158755\n atom 40 type 1 force = 0.00165773 0.00095102 -0.00000530\n atom 41 type 2 force = -0.00132312 -0.00100028 -0.00173552\n atom 42 type 2 force = 0.00019036 -0.00041763 -0.00005963\n atom 43 type 1 force = -0.00017780 -0.00055365 -0.00024248\n atom 44 type 1 force = -0.00124060 0.00096570 -0.00388495\n atom 45 type 2 force = 0.00041377 -0.00077425 0.00180573\n atom 46 type 2 force = 0.00144500 -0.00125386 0.00229523\n atom 47 type 1 force = 0.00135604 -0.00290464 0.00236599\n atom 48 type 1 force = 0.00252786 -0.00050938 0.00169284\n atom 49 type 2 force = 0.00040698 0.00087515 -0.00156469\n atom 50 type 2 force = 0.00058366 -0.00065931 0.00041221\n\n Total force = 0.019068 Total SCF correction = 0.000031\n Energy error = 4.8E-04 Ry\n Gradient error = 4.9E-03 Ry/Bohr\n\n number of scf cycles = 58\n number of bfgs steps = 57\n\n energy old = -1655.7654210592 Ry\n energy new = -1655.7658991669 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0393323433 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7995889676 9.7807528399 9.2941202338\nN 10.5948015730 9.9506129043 8.1281545421\nO 9.6077440893 9.3367323718 8.5033455868\nO 10.7072761687 10.8716374053 7.3518147578\nN 13.1367068201 8.5173402137 9.2268985646\nN 12.2728712080 7.0970746206 10.4761458160\nO 12.2405275332 7.4475383180 11.6308197688\nO 11.9805110158 6.0914741992 9.8902561989\nN 14.3883937356 8.0663027576 9.6724274811\nN 15.1530719865 8.4340358311 6.7631464907\nO 14.6948202456 9.5011639542 6.4060912016\nO 15.9199790277 7.6462189554 6.2537110359\nN 15.1133487249 8.8479073380 10.3658702267\nN 16.4113915989 8.4633379097 10.3376475309\nN 16.5605766530 6.5472812338 10.0465820271\nO 17.3148298673 6.2609413861 9.1594026180\nO 15.8923231567 5.9149347170 10.8232683932\nN 17.2518606642 9.0335476190 11.1843426285\nN 17.4071981672 8.2225311680 12.8418759561\nO 17.8079106586 7.0838069728 12.7683158458\nO 17.0438658422 8.9176026123 13.7541074065\nC 18.4850652007 9.3463285115 10.5928084758\nN 19.5520567579 8.4860428281 9.8348243816\nN 19.5555234004 9.5760267936 8.6963869790\nN 20.6383947225 10.3528693297 9.4735440440\nN 19.5704567557 11.1930924118 10.2133129596\nN 19.5510370399 10.1001448809 11.3544766348\nN 20.6300051194 9.3099435324 10.5815731902\nC 18.5030931614 10.3642796545 9.4473502263\nN 17.3243974389 10.7949934173 8.8170473686\nN 17.6052438229 11.3860677142 7.1155772841\nO 17.4780647133 12.5836782523 7.0227192559\nO 17.8140214476 10.5133884055 6.3190540360\nN 16.5273392515 11.5368993312 9.5658426923\nN 16.9504087767 13.4285366734 9.9433002972\nO 16.3162715714 14.1926189833 9.2698449291\nO 17.7795463758 13.5394297532 10.8017569075\nN 15.1987098281 11.3135292074 9.4493299290\nN 14.4945499928 12.1720075891 10.0668653560\nN 15.2031703669 11.6347483840 12.9508327256\nO 16.0389971866 12.3019249689 13.5212179360\nO 14.3545302477 10.8545155529 13.3193208658\nN 13.1717831133 11.8350814779 10.4099444184\nN 12.5149834255 13.3307416255 9.0330075035\nO 12.6174688132 13.0003125237 7.8780320253\nO 12.1724336964 14.3349721901 9.5950541659\nN 12.7509835081 10.5997753790 10.3132250341\nN 10.5952180725 10.6562984739 11.4184915235\nO 9.5998090964 10.9739622745 10.7837964574\nO 10.7095324361 10.2606928115 12.5539198195\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 1205.7 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 2 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 1216.6 secs\n\n total energy = -1655.76133160 Ry\n estimated scf accuracy < 0.03703935 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.38E-05, avg # of iterations = 1.0\n\n negative rho (up, down): 2.831E-02 0.000E+00\n\n total cpu time spent up to now is 1220.7 secs\n\n total energy = -1655.76151712 Ry\n estimated scf accuracy < 0.77274861 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.38E-05, avg # of iterations = 1.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 1224.8 secs\n\n total energy = -1655.76529753 Ry\n estimated scf accuracy < 0.02053051 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.66E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 1229.0 secs\n\n total energy = -1655.76437937 Ry\n estimated scf accuracy < 0.09901988 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.66E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 1233.1 secs\n\n total energy = -1655.76564668 Ry\n estimated scf accuracy < 0.06768707 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.66E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 1237.3 secs\n\n total energy = -1655.76613907 Ry\n estimated scf accuracy < 0.00008026 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.99E-08, avg # of iterations = 17.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 1243.7 secs\n\n total energy = -1655.76638013 Ry\n estimated scf accuracy < 0.00007506 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.80E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 1248.0 secs\n\n total energy = -1655.76638439 Ry\n estimated scf accuracy < 0.00013873 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.80E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 1252.2 secs\n\n total energy = -1655.76637994 Ry\n estimated scf accuracy < 0.00107965 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.80E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 1256.5 secs\n\n total energy = -1655.76638120 Ry\n estimated scf accuracy < 0.00026988 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.80E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 1260.8 secs\n\n total energy = -1655.76637070 Ry\n estimated scf accuracy < 0.00006564 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.45E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 1265.0 secs\n\n total energy = -1655.76636767 Ry\n estimated scf accuracy < 0.00002505 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.35E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 1269.4 secs\n\n total energy = -1655.76636881 Ry\n estimated scf accuracy < 0.00001159 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.33E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.767E-02 0.000E+00\n\n total cpu time spent up to now is 1273.8 secs\n\n total energy = -1655.76636938 Ry\n estimated scf accuracy < 0.00000309 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.15E-09, avg # of iterations = 16.0\n\n negative rho (up, down): 2.769E-02 0.000E+00\n\n total cpu time spent up to now is 1279.9 secs\n\n total energy = -1655.76637456 Ry\n estimated scf accuracy < 0.00000497 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.15E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.769E-02 0.000E+00\n\n total cpu time spent up to now is 1284.2 secs\n\n total energy = -1655.76637425 Ry\n estimated scf accuracy < 0.00000277 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.03E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.768E-02 0.000E+00\n\n total cpu time spent up to now is 1288.5 secs\n\n total energy = -1655.76637413 Ry\n estimated scf accuracy < 0.00000152 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.67E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.768E-02 0.000E+00\n\n total cpu time spent up to now is 1293.1 secs\n\n total energy = -1655.76637430 Ry\n estimated scf accuracy < 0.00000067 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.51E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.769E-02 0.000E+00\n\n total cpu time spent up to now is 1298.2 secs\n\n total energy = -1655.76637466 Ry\n estimated scf accuracy < 0.00000070 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.51E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.773E-02 0.000E+00\n\n total cpu time spent up to now is 1302.5 secs\n\n total energy = -1655.76637461 Ry\n estimated scf accuracy < 0.00000028 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.03E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.774E-02 0.000E+00\n\n total cpu time spent up to now is 1307.2 secs\n\n total energy = -1655.76637466 Ry\n estimated scf accuracy < 0.00000020 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.42E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 1311.7 secs\n\n total energy = -1655.76637464 Ry\n estimated scf accuracy < 0.00000014 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.13E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 1316.3 secs\n\n total energy = -1655.76637458 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.44E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 1320.8 secs\n\n total energy = -1655.76637451 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.40E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 1325.6 secs\n\n total energy = -1655.76637448 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.34E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 1330.7 secs\n\n total energy = -1655.76637447 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.93E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 1335.0 secs\n\n total energy = -1655.76637443 Ry\n estimated scf accuracy < 1.0E-08 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.72E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 1339.5 secs\n\n total energy = -1655.76637441 Ry\n estimated scf accuracy < 6.1E-09 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.28E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 1344.4 secs\n\n total energy = -1655.76637441 Ry\n estimated scf accuracy < 4.6E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.71E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 1348.9 secs\n\n total energy = -1655.76637440 Ry\n estimated scf accuracy < 2.2E-09 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.34E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 1353.4 secs\n\n total energy = -1655.76637438 Ry\n estimated scf accuracy < 2.0E-09 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.35E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 1357.7 secs\n\n total energy = -1655.76637437 Ry\n estimated scf accuracy < 9.3E-10 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.47E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 1362.5 secs\n\n total energy = -1655.76637437 Ry\n estimated scf accuracy < 6.2E-10 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.32E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 1367.3 secs\n\n total energy = -1655.76637436 Ry\n estimated scf accuracy < 1.0E-09 Ry\n\n iteration # 35 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.32E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 1370.9 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8686 -32.8542 -32.8271 -32.7709 -32.6531 -32.5735 -32.1993 -32.1171\n -32.0637 -31.9835 -30.6769 -29.6211 -29.2244 -29.0405 -28.9650 -28.9277\n -28.9155 -28.8677 -28.7914 -28.5923 -28.4832 -28.3758 -28.1705 -28.1052\n -27.4562 -26.8250 -25.5809 -24.8157 -24.3653 -24.0078 -22.8249 -21.9735\n -20.7077 -19.2450 -18.7014 -18.2178 -17.8317 -17.5287 -17.3207 -17.2732\n -17.0883 -16.9400 -16.5937 -16.5659 -16.5479 -16.5231 -16.4253 -16.3905\n -15.7405 -15.6902 -15.4854 -15.3421 -15.1803 -15.0728 -15.0594 -14.8613\n -14.7476 -14.6989 -14.6333 -14.5898 -14.5156 -14.4709 -14.4538 -14.3887\n -14.3327 -14.2945 -14.2389 -14.2235 -14.2159 -14.1583 -14.0849 -14.0121\n -13.9976 -13.9617 -13.9359 -13.8766 -13.8245 -13.7861 -13.7417 -13.7068\n -13.6482 -13.6109 -13.1759 -13.0640 -12.7208 -12.4500 -12.1244 -12.0713\n -11.8100 -11.4618 -11.4151 -11.3399 -10.9553 -10.7933 -10.4737 -10.0259\n -9.9175 -9.8039 -9.7802 -9.7010 -9.6675 -9.6075 -9.5770 -9.5471\n -9.4971 -9.4169 -9.3786 -9.3509 -9.3156 -9.2053 -9.1707 -9.0870\n -9.0196 -8.9878 -8.9563 -8.9173 -8.8612 -8.8212 -8.6539 -8.5825\n -8.5027 -8.2412 -8.1223 -8.0393 -7.7151 -7.5849 -7.3127 -7.1912\n -7.0118 -6.8432 -6.4104 -6.3408 -6.2892 -6.0742 -6.0648 -5.8319\n -5.5733 -4.8989 -4.7949 -4.7160 -4.4654 -4.2642 -4.1153 -4.0326\n -4.0197 -3.8836 -3.8139 -3.6918 -3.6756 -3.6718 -3.5969 -3.5145\n -3.4002 -3.2343 -3.0722 -2.8163 -2.3697 -2.3257 -0.7308 -0.4048\n -0.1527\n\n the Fermi energy is -6.0695 ev\n\n! total energy = -1655.76637434 Ry\n total all-electron energy = -6224.598722 Ry\n estimated scf accuracy < 3.6E-10 Ry\n smearing contrib. (-TS) = -0.00561485 Ry\n internal energy E=F+TS = -1655.76075949 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18287.94299523 Ry\n hartree contribution = 9176.95706475 Ry\n xc contribution = -312.77343563 Ry\n ewald contribution = 8195.96994253 Ry\n DFT-D3 Dispersion = -0.16221216 Ry\n one-center paw contrib. = -427.80912374 Ry\n\n convergence has been achieved in 35 iterations\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00119444 0.00189006 -0.00109379\n atom 2 type 1 force = -0.00067215 -0.00164478 -0.00060985\n atom 3 type 2 force = -0.00334485 -0.00156416 -0.00023487\n atom 4 type 2 force = -0.00194779 0.00031792 -0.00009597\n atom 5 type 1 force = -0.00162877 -0.00046195 -0.00160366\n atom 6 type 1 force = 0.00049094 -0.00205973 0.00065826\n atom 7 type 2 force = 0.00005075 0.00185949 0.00226991\n atom 8 type 2 force = 0.00296307 -0.00024627 -0.00152922\n atom 9 type 1 force = -0.00166346 0.00064186 0.00155351\n atom 10 type 1 force = 0.00028618 0.00074383 0.00141910\n atom 11 type 2 force = 0.00096821 -0.00075810 0.00053486\n atom 12 type 2 force = -0.00058962 0.00010369 0.00024602\n atom 13 type 1 force = 0.00063132 0.00073070 -0.00303688\n atom 14 type 1 force = 0.00003016 -0.00295960 -0.00162819\n atom 15 type 1 force = 0.00014190 -0.00053013 -0.00048620\n atom 16 type 2 force = 0.00065473 0.00132845 -0.00134963\n atom 17 type 2 force = -0.00034657 0.00120584 -0.00041474\n atom 18 type 1 force = -0.00336970 0.00072533 -0.00109714\n atom 19 type 1 force = 0.00226980 0.00153953 -0.00107558\n atom 20 type 2 force = 0.00020786 -0.00019022 0.00338349\n atom 21 type 2 force = 0.00002745 -0.00046855 0.00039083\n atom 22 type 3 force = -0.00093772 0.00207285 0.00010444\n atom 23 type 1 force = 0.00032871 -0.00129086 0.00301606\n atom 24 type 1 force = 0.00122702 0.00119923 -0.00054360\n atom 25 type 1 force = 0.00131627 -0.00072797 -0.00022119\n atom 26 type 1 force = 0.00011579 0.00099876 -0.00135402\n atom 27 type 1 force = 0.00021269 0.00091255 -0.00077137\n atom 28 type 1 force = 0.00110290 0.00224221 0.00117515\n atom 29 type 3 force = -0.00094455 0.00008354 -0.00193439\n atom 30 type 1 force = -0.00085786 0.00279385 -0.00228775\n atom 31 type 1 force = 0.00102031 0.00429268 0.00510560\n atom 32 type 2 force = -0.00346021 0.00492871 -0.00033576\n atom 33 type 2 force = -0.00039700 -0.00885678 -0.00517224\n atom 34 type 1 force = 0.00010376 -0.00070248 0.00229337\n atom 35 type 1 force = -0.00152511 -0.00331361 -0.00210609\n atom 36 type 2 force = -0.00054432 0.00221377 -0.00073995\n atom 37 type 2 force = -0.00076641 0.00041552 0.00205692\n atom 38 type 1 force = 0.00141033 -0.00216489 0.00157691\n atom 39 type 1 force = 0.00049708 -0.00134797 0.00266675\n atom 40 type 1 force = 0.00228166 0.00204307 -0.00398802\n atom 41 type 2 force = -0.00051076 -0.00053692 0.00025202\n atom 42 type 2 force = -0.00128109 -0.00196719 0.00196001\n atom 43 type 1 force = -0.00059500 0.00026518 -0.00019861\n atom 44 type 1 force = -0.00069663 -0.00033582 -0.00132848\n atom 45 type 2 force = 0.00071417 -0.00182950 -0.00234097\n atom 46 type 2 force = 0.00045314 0.00167887 0.00370348\n atom 47 type 1 force = 0.00206458 -0.00356573 0.00212764\n atom 48 type 1 force = -0.00013689 0.00124849 0.00086251\n atom 49 type 2 force = 0.00248217 0.00021320 -0.00046986\n atom 50 type 2 force = 0.00096905 -0.00116599 0.00069119\n\n Total force = 0.022769 Total SCF correction = 0.000051\n Energy error = 4.8E-04 Ry\n Gradient error = 8.9E-03 Ry/Bohr\n\n number of scf cycles = 59\n number of bfgs steps = 58\n\n energy old = -1655.7658991669 Ry\n energy new = -1655.7663743355 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0796346130 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8009927776 9.7715795356 9.2972667917\nN 10.5915110158 9.9420605757 8.1401874195\nO 9.6030939595 9.3265925085 8.5093945068\nO 10.7040529363 10.8711105910 7.3730985721\nN 13.1429509783 8.5087733593 9.2332652851\nN 12.2766249016 7.0919236705 10.4806791461\nO 12.2519804575 7.4459576000 11.6352920451\nO 11.9822321135 6.0844738412 9.8983906220\nN 14.3950738721 8.0623971622 9.6781691975\nN 15.1615808472 8.4265693668 6.7564792618\nO 14.6943189171 9.4887495858 6.3948151123\nO 15.9267698013 7.6380213102 6.2457259913\nN 15.1152517108 8.8466371293 10.3730955270\nN 16.4146354079 8.4732136276 10.3385863717\nN 16.5801245973 6.5578424185 10.0397950416\nO 17.3324580068 6.2793740266 9.1478760108\nO 15.9182129343 5.9160249400 10.8138770262\nN 17.2530650885 9.0477504038 11.1810085213\nN 17.4190736213 8.2315158712 12.8395428251\nO 17.8210295162 7.0944395700 12.7558417824\nO 17.0650933909 8.9227715470 13.7582566250\nC 18.4850664400 9.3620541097 10.5888645931\nN 19.5500044580 8.4971629102 9.8410453029\nN 19.5542167499 9.5779300533 8.6928259749\nN 20.6361471003 10.3621299292 9.4649743819\nN 19.5670767464 11.2069757343 10.1995251836\nN 19.5477559879 10.1194704515 11.3494816013\nN 20.6287909266 9.3281075246 10.5804283027\nC 18.5018812378 10.3720044589 9.4377654374\nN 17.3224725232 10.8011634693 8.8069619617\nN 17.5954197399 11.3905956284 7.1145729103\nO 17.4366104613 12.5858954147 7.0154750798\nO 17.8297646128 10.5145205908 6.3226119082\nN 16.5208960792 11.5323152460 9.5645832527\nN 16.9393148632 13.4242308978 9.9486456402\nO 16.3115941706 14.2014347255 9.2798204653\nO 17.7713625125 13.5272587517 10.8072588699\nN 15.1936553564 11.3091204352 9.4467583205\nN 14.4870253394 12.1688971104 10.0601581057\nN 15.2125292535 11.6342548075 12.9578200383\nO 16.0497350362 12.3062610102 13.5203361648\nO 14.3546155732 10.8657030153 13.3349520421\nN 13.1655219429 11.8283508328 10.4073058801\nN 12.4949224048 13.3172457448 9.0338008434\nO 12.5977104736 12.9845272618 7.8792771009\nO 12.1468804565 14.3202545711 9.5975447639\nN 12.7490644547 10.5903213643 10.3174961788\nN 10.5944517859 10.6403882221 11.4194244798\nO 9.5995091009 10.9552082170 10.7824439489\nO 10.7085704047 10.2541171295 12.5579993174\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.781E-02 0.000E+00\n\n total cpu time spent up to now is 1381.1 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 34.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 1395.1 secs\n\n total energy = -1655.76634321 Ry\n estimated scf accuracy < 0.00552653 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.06E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 1399.2 secs\n\n total energy = -1655.76592836 Ry\n estimated scf accuracy < 0.06577791 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.06E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 1403.4 secs\n\n total energy = -1655.76631311 Ry\n estimated scf accuracy < 0.00832584 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.06E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.823E-02 0.000E+00\n\n total cpu time spent up to now is 1407.7 secs\n\n total energy = -1655.76644319 Ry\n estimated scf accuracy < 0.00103516 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.86E-07, avg # of iterations = 5.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 1412.2 secs\n\n total energy = -1655.76653981 Ry\n estimated scf accuracy < 0.00019268 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.19E-08, avg # of iterations = 13.0\n\n negative rho (up, down): 2.827E-02 0.000E+00\n\n total cpu time spent up to now is 1417.8 secs\n\n total energy = -1655.76676443 Ry\n estimated scf accuracy < 0.00009124 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.40E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 1422.5 secs\n\n total energy = -1655.76675663 Ry\n estimated scf accuracy < 0.00006374 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.38E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 1427.4 secs\n\n total energy = -1655.76678527 Ry\n estimated scf accuracy < 0.00000911 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.40E-09, avg # of iterations = 14.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 1433.4 secs\n\n total energy = -1655.76680021 Ry\n estimated scf accuracy < 0.00000806 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.01E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 1437.7 secs\n\n total energy = -1655.76679889 Ry\n estimated scf accuracy < 0.00000545 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.03E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.835E-02 0.000E+00\n\n total cpu time spent up to now is 1442.3 secs\n\n total energy = -1655.76680039 Ry\n estimated scf accuracy < 0.00000272 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.01E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 1447.1 secs\n\n total energy = -1655.76680124 Ry\n estimated scf accuracy < 0.00000127 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.72E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 1452.0 secs\n\n total energy = -1655.76680178 Ry\n estimated scf accuracy < 0.00000095 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.54E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 1456.4 secs\n\n total energy = -1655.76680183 Ry\n estimated scf accuracy < 0.00000246 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.54E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 1460.7 secs\n\n total energy = -1655.76680187 Ry\n estimated scf accuracy < 0.00000024 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.82E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 1465.8 secs\n\n total energy = -1655.76680209 Ry\n estimated scf accuracy < 0.00000019 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.11E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 1470.1 secs\n\n total energy = -1655.76680215 Ry\n estimated scf accuracy < 0.00000007 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.60E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.823E-02 0.000E+00\n\n total cpu time spent up to now is 1475.1 secs\n\n total energy = -1655.76680220 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 1479.6 secs\n\n total energy = -1655.76680223 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.67E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 1484.7 secs\n\n total energy = -1655.76680227 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.10E-12, avg # of iterations = 4.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 1489.1 secs\n\n total energy = -1655.76680231 Ry\n estimated scf accuracy < 8.7E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.25E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 1493.4 secs\n\n total energy = -1655.76680233 Ry\n estimated scf accuracy < 7.8E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.92E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 1497.7 secs\n\n total energy = -1655.76680235 Ry\n estimated scf accuracy < 2.6E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.83E-13, avg # of iterations = 14.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 1502.8 secs\n\n total energy = -1655.76680235 Ry\n estimated scf accuracy < 4.9E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.83E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 1507.2 secs\n\n total energy = -1655.76680237 Ry\n estimated scf accuracy < 1.1E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.25E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 1512.1 secs\n\n total energy = -1655.76680238 Ry\n estimated scf accuracy < 1.7E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.25E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 1515.8 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8573 -32.8069 -32.7683 -32.7610 -32.6459 -32.5611 -32.1815 -32.1146\n -32.0706 -31.9793 -30.6801 -29.6293 -29.2358 -28.9739 -28.9671 -28.9137\n -28.8825 -28.8666 -28.7916 -28.5982 -28.4748 -28.3737 -28.1766 -28.0992\n -27.4644 -26.8332 -25.5850 -24.8134 -24.3712 -24.0185 -22.8300 -21.9867\n -20.7092 -19.2507 -18.7121 -18.2146 -17.8561 -17.5430 -17.3156 -17.2620\n -17.0997 -16.9514 -16.6036 -16.5723 -16.5524 -16.5277 -16.4279 -16.3961\n -15.7516 -15.6977 -15.4704 -15.3313 -15.1748 -15.0756 -15.0545 -14.8631\n -14.7525 -14.6678 -14.6333 -14.5808 -14.5041 -14.4701 -14.4515 -14.3859\n -14.3327 -14.2649 -14.2294 -14.2274 -14.2119 -14.1654 -14.0910 -14.0130\n -13.9894 -13.9624 -13.9349 -13.8812 -13.8291 -13.7845 -13.7349 -13.7013\n -13.6433 -13.6090 -13.1714 -13.0649 -12.7277 -12.4461 -12.1241 -12.0720\n -11.8104 -11.4623 -11.4155 -11.3383 -10.9598 -10.7885 -10.4748 -10.0285\n -9.9155 -9.8059 -9.7839 -9.6965 -9.6631 -9.6117 -9.5753 -9.5436\n -9.4915 -9.4185 -9.3800 -9.3520 -9.3202 -9.2061 -9.1638 -9.0938\n -9.0225 -8.9825 -8.9563 -8.9151 -8.8481 -8.8219 -8.6606 -8.5857\n -8.4996 -8.2432 -8.1211 -8.0534 -7.7153 -7.5920 -7.3153 -7.1887\n -7.0177 -6.8496 -6.4143 -6.3472 -6.2976 -6.0783 -6.0695 -5.8346\n -5.5754 -4.9097 -4.8021 -4.7213 -4.4643 -4.2643 -4.1512 -4.0292\n -4.0151 -3.8934 -3.8275 -3.7000 -3.6857 -3.6757 -3.6049 -3.5162\n -3.3985 -3.2363 -3.0764 -2.8215 -2.3691 -2.3290 -0.7557 -0.4059\n -0.1547\n\n the Fermi energy is -6.0739 ev\n\n! total energy = -1655.76680241 Ry\n total all-electron energy = -6224.599150 Ry\n estimated scf accuracy < 3.6E-10 Ry\n smearing contrib. (-TS) = -0.00561845 Ry\n internal energy E=F+TS = -1655.76118396 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18289.05428996 Ry\n hartree contribution = 9177.51233559 Ry\n xc contribution = -312.75523152 Ry\n ewald contribution = 8196.50780073 Ry\n DFT-D3 Dispersion = -0.16228778 Ry\n one-center paw contrib. = -427.80951102 Ry\n\n convergence has been achieved in 27 iterations\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00132790 0.00124562 -0.00033977\n atom 2 type 1 force = -0.00057635 -0.00121928 -0.00151011\n atom 3 type 2 force = -0.00101307 -0.00198769 -0.00020250\n atom 4 type 2 force = -0.00139858 -0.00004409 0.00006418\n atom 5 type 1 force = -0.00281653 -0.00061015 -0.00228095\n atom 6 type 1 force = 0.00118700 -0.00182650 0.00194476\n atom 7 type 2 force = -0.00065132 0.00052340 0.00033586\n atom 8 type 2 force = 0.00292825 0.00095121 -0.00057214\n atom 9 type 1 force = -0.00323990 -0.00033862 0.00065111\n atom 10 type 1 force = -0.00013352 0.00153741 0.00127986\n atom 11 type 2 force = 0.00140594 -0.00153218 0.00082450\n atom 12 type 2 force = -0.00059560 0.00013792 0.00023051\n atom 13 type 1 force = 0.00068134 0.00202500 -0.00336597\n atom 14 type 1 force = 0.00068516 -0.00396748 -0.00223608\n atom 15 type 1 force = 0.00026393 -0.00174199 -0.00194202\n atom 16 type 2 force = 0.00049070 0.00218645 -0.00085051\n atom 17 type 2 force = -0.00080069 0.00128775 0.00037789\n atom 18 type 1 force = -0.00296025 0.00162004 0.00165489\n atom 19 type 1 force = 0.00272484 0.00282257 -0.00172291\n atom 20 type 2 force = 0.00027377 -0.00154163 0.00402483\n atom 21 type 2 force = -0.00028211 -0.00054713 0.00032481\n atom 22 type 3 force = -0.00229048 0.00136699 0.00117804\n atom 23 type 1 force = 0.00183358 -0.00110780 0.00164588\n atom 24 type 1 force = 0.00148757 0.00159342 -0.00073968\n atom 25 type 1 force = 0.00106601 -0.00092503 0.00047015\n atom 26 type 1 force = 0.00121383 0.00038727 -0.00151218\n atom 27 type 1 force = 0.00113000 0.00285320 -0.00227170\n atom 28 type 1 force = 0.00064059 0.00093147 0.00130898\n atom 29 type 3 force = -0.00126038 0.00005109 -0.00099630\n atom 30 type 1 force = -0.00230602 0.00236815 -0.00061686\n atom 31 type 1 force = 0.00087417 0.00195621 -0.00105215\n atom 32 type 2 force = -0.00215556 -0.00245618 -0.00111581\n atom 33 type 2 force = -0.00231159 0.00112810 0.00172255\n atom 34 type 1 force = 0.00097440 0.00141045 0.00021255\n atom 35 type 1 force = -0.00081125 0.00186054 -0.00232847\n atom 36 type 2 force = 0.00179091 -0.00307111 0.00201889\n atom 37 type 2 force = -0.00309432 0.00009707 0.00020639\n atom 38 type 1 force = 0.00058044 -0.00267250 0.00110494\n atom 39 type 1 force = 0.00025174 -0.00208558 0.00284382\n atom 40 type 1 force = -0.00027439 -0.00025721 -0.00324390\n atom 41 type 2 force = -0.00129716 -0.00119561 0.00037936\n atom 42 type 2 force = 0.00203130 0.00096090 0.00103972\n atom 43 type 1 force = -0.00026039 0.00011927 0.00034844\n atom 44 type 1 force = -0.00095649 0.00161450 -0.00036757\n atom 45 type 2 force = 0.00038956 -0.00019901 -0.00061281\n atom 46 type 2 force = 0.00185902 -0.00167219 0.00093966\n atom 47 type 1 force = 0.00257792 -0.00286348 0.00120026\n atom 48 type 1 force = -0.00056475 0.00210207 0.00109747\n atom 49 type 2 force = 0.00078638 0.00007918 -0.00008906\n atom 50 type 2 force = 0.00059450 -0.00135483 0.00053911\n\n Total force = 0.019348 Total SCF correction = 0.000046\n Energy error = 4.3E-04 Ry\n Gradient error = 4.0E-03 Ry/Bohr\n\n number of scf cycles = 60\n number of bfgs steps = 59\n\n energy old = -1655.7663743355 Ry\n energy new = -1655.7668024062 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0298583445 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8053803239 9.7726243945 9.2973388831\nN 10.5894305216 9.9406451181 8.1432735654\nO 9.5988488620 9.3279208590 8.5122247784\nO 10.7024930497 10.8687596939 7.3760713909\nN 13.1464101370 8.5095037380 9.2303325603\nN 12.2838575997 7.0910250246 10.4802997052\nO 12.2588077655 7.4515291606 11.6331319493\nO 11.9971797200 6.0801489699 9.9011321139\nN 14.3978277451 8.0644515377 9.6761897214\nN 15.1658346042 8.4296841102 6.7635969394\nO 14.6951559420 9.4878899721 6.3989715590\nO 15.9226158776 7.6365146181 6.2493120753\nN 15.1176434466 8.8485049706 10.3718286815\nN 16.4162968843 8.4733435512 10.3365563590\nN 16.5839222177 6.5604842431 10.0362325204\nO 17.3340567135 6.2826974355 9.1414799727\nO 15.9216954890 5.9172889223 10.8093530239\nN 17.2516357768 9.0525564388 11.1781308219\nN 17.4217493277 8.2385790328 12.8397402546\nO 17.8250241211 7.1016616566 12.7569630560\nO 17.0670299812 8.9268628049 13.7599869234\nC 18.4832557662 9.3680856393 10.5876202162\nN 19.5488014316 8.4993223482 9.8468949077\nN 19.5541060644 9.5763791202 8.6913496322\nN 20.6354016941 10.3630241884 9.4614736690\nN 19.5653268654 11.2114996641 10.1918833307\nN 19.5455419755 10.1274666301 11.3467563843\nN 20.6283082508 9.3357854558 10.5816945968\nC 18.5003761162 10.3730909297 9.4327024169\nN 17.3204691792 10.8043770949 8.8030730579\nN 17.5920251256 11.3904400852 7.1168646148\nO 17.4248648751 12.5829031145 7.0139129545\nO 17.8252237729 10.5142775396 6.3263391561\nN 16.5183442202 11.5273844347 9.5695799410\nN 16.9326736261 13.4213427733 9.9474798233\nO 16.3145571467 14.2035012813 9.2768293593\nO 17.7609979761 13.5230570849 10.8097385257\nN 15.1913001327 11.3043630641 9.4505406803\nN 14.4837571960 12.1645644343 10.0637608796\nN 15.2135557638 11.6315143509 12.9524062891\nO 16.0492123932 12.3069748938 13.5135649422\nO 14.3567646134 10.8639797193 13.3344944283\nN 13.1619488778 11.8250949765 10.4100333362\nN 12.4924415403 13.3120882166 9.0360395335\nO 12.5985002777 12.9762256646 7.8824448346\nO 12.1484068087 14.3149863904 9.6031268321\nN 12.7494676925 10.5837737172 10.3226959935\nN 10.5946322203 10.6358885866 11.4184052637\nO 9.6005057932 10.9492303188 10.7792654463\nO 10.7090295420 10.2523802889 12.5576838319\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 1526.1 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 1536.2 secs\n\n total energy = -1655.76615206 Ry\n estimated scf accuracy < 0.00578636 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.16E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.844E-02 0.000E+00\n\n total cpu time spent up to now is 1540.3 secs\n\n total energy = -1655.76437956 Ry\n estimated scf accuracy < 0.35088487 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.16E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.848E-02 0.000E+00\n\n total cpu time spent up to now is 1544.5 secs\n\n total energy = -1655.76692944 Ry\n estimated scf accuracy < 0.00098213 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.66E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.869E-02 0.000E+00\n\n total cpu time spent up to now is 1548.8 secs\n\n total energy = -1655.76697220 Ry\n estimated scf accuracy < 0.00053017 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.98E-07, avg # of iterations = 6.0\n\n negative rho (up, down): 2.879E-02 0.000E+00\n\n total cpu time spent up to now is 1553.2 secs\n\n total energy = -1655.76703021 Ry\n estimated scf accuracy < 0.00041909 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.56E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.879E-02 0.000E+00\n\n total cpu time spent up to now is 1557.5 secs\n\n total energy = -1655.76706784 Ry\n estimated scf accuracy < 0.00002222 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 22.0\n\n negative rho (up, down): 2.878E-02 0.000E+00\n\n total cpu time spent up to now is 1567.0 secs\n\n total energy = -1655.76727636 Ry\n estimated scf accuracy < 0.00009150 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.877E-02 0.000E+00\n\n total cpu time spent up to now is 1571.3 secs\n\n total energy = -1655.76727575 Ry\n estimated scf accuracy < 0.00010266 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.874E-02 0.000E+00\n\n total cpu time spent up to now is 1575.6 secs\n\n total energy = -1655.76727553 Ry\n estimated scf accuracy < 0.00006866 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.868E-02 0.000E+00\n\n total cpu time spent up to now is 1579.9 secs\n\n total energy = -1655.76727467 Ry\n estimated scf accuracy < 0.00006973 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.857E-02 0.000E+00\n\n total cpu time spent up to now is 1584.2 secs\n\n total energy = -1655.76727359 Ry\n estimated scf accuracy < 0.00006359 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.844E-02 0.000E+00\n\n total cpu time spent up to now is 1588.6 secs\n\n total energy = -1655.76727227 Ry\n estimated scf accuracy < 0.00008303 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.841E-02 0.000E+00\n\n total cpu time spent up to now is 1592.8 secs\n\n total energy = -1655.76727287 Ry\n estimated scf accuracy < 0.00005229 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 1597.1 secs\n\n total energy = -1655.76727251 Ry\n estimated scf accuracy < 0.00005158 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 1601.4 secs\n\n total energy = -1655.76726268 Ry\n estimated scf accuracy < 0.00005400 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 1605.9 secs\n\n total energy = -1655.76726265 Ry\n estimated scf accuracy < 0.00004311 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.29E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 1610.2 secs\n\n total energy = -1655.76726130 Ry\n estimated scf accuracy < 0.00001338 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.99E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 1614.6 secs\n\n total energy = -1655.76726228 Ry\n estimated scf accuracy < 0.00000329 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.23E-09, avg # of iterations = 16.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 1620.1 secs\n\n total energy = -1655.76726522 Ry\n estimated scf accuracy < 0.00000252 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.41E-10, avg # of iterations = 4.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 1624.5 secs\n\n total energy = -1655.76726507 Ry\n estimated scf accuracy < 0.00000197 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.35E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 1628.9 secs\n\n total energy = -1655.76726522 Ry\n estimated scf accuracy < 0.00000124 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.63E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.773E-02 0.000E+00\n\n total cpu time spent up to now is 1633.5 secs\n\n total energy = -1655.76726546 Ry\n estimated scf accuracy < 0.00000052 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.95E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.772E-02 0.000E+00\n\n total cpu time spent up to now is 1638.4 secs\n\n total energy = -1655.76726560 Ry\n estimated scf accuracy < 0.00000045 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.68E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.771E-02 0.000E+00\n\n total cpu time spent up to now is 1642.8 secs\n\n total energy = -1655.76726564 Ry\n estimated scf accuracy < 0.00000016 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.96E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.772E-02 0.000E+00\n\n total cpu time spent up to now is 1647.9 secs\n\n total energy = -1655.76726572 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.72E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.776E-02 0.000E+00\n\n total cpu time spent up to now is 1652.3 secs\n\n total energy = -1655.76726565 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.80E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 1656.8 secs\n\n total energy = -1655.76726559 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.79E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 1661.4 secs\n\n total energy = -1655.76726555 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.27E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 1665.8 secs\n\n total energy = -1655.76726548 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.44E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 1670.7 secs\n\n total energy = -1655.76726541 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.04E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 1675.1 secs\n\n total energy = -1655.76726536 Ry\n estimated scf accuracy < 8.5E-09 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.17E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 1679.9 secs\n\n total energy = -1655.76726535 Ry\n estimated scf accuracy < 3.8E-09 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.41E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 1684.9 secs\n\n total energy = -1655.76726534 Ry\n estimated scf accuracy < 2.8E-09 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 1689.3 secs\n\n total energy = -1655.76726529 Ry\n estimated scf accuracy < 1.6E-09 Ry\n\n iteration # 35 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.98E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 1693.8 secs\n\n total energy = -1655.76726528 Ry\n estimated scf accuracy < 5.7E-10 Ry\n\n iteration # 36 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.14E-13, avg # of iterations = 13.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 1699.1 secs\n\n total energy = -1655.76726527 Ry\n estimated scf accuracy < 5.1E-10 Ry\n\n iteration # 37 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.91E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 1702.8 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8468 -32.8348 -32.7789 -32.7527 -32.6571 -32.5723 -32.1720 -32.1447\n -32.0784 -31.9805 -30.6674 -29.6331 -29.2341 -28.9557 -28.9478 -28.9109\n -28.9038 -28.8859 -28.8229 -28.6024 -28.4584 -28.3959 -28.1875 -28.0933\n -27.4630 -26.8309 -25.5761 -24.7953 -24.3603 -24.0191 -22.8283 -21.9824\n -20.7027 -19.2504 -18.7079 -18.2039 -17.8722 -17.5417 -17.3237 -17.2488\n -17.1021 -16.9637 -16.6103 -16.5663 -16.5549 -16.5296 -16.4259 -16.3934\n -15.7490 -15.6959 -15.4652 -15.3272 -15.1611 -15.0815 -15.0460 -14.8651\n -14.7579 -14.6755 -14.6449 -14.5772 -14.5070 -14.4792 -14.4512 -14.4030\n -14.3200 -14.2519 -14.2396 -14.2281 -14.2149 -14.1886 -14.0995 -14.0031\n -13.9797 -13.9716 -13.9535 -13.8875 -13.8365 -13.7844 -13.7330 -13.6981\n -13.6480 -13.6163 -13.1745 -13.0667 -12.7277 -12.4471 -12.1231 -12.0638\n -11.8076 -11.4600 -11.4154 -11.3243 -10.9579 -10.7759 -10.4743 -10.0226\n -9.9154 -9.7982 -9.7811 -9.6921 -9.6650 -9.6239 -9.5939 -9.5398\n -9.4883 -9.4084 -9.3869 -9.3456 -9.3280 -9.1976 -9.1579 -9.1120\n -9.0382 -8.9799 -8.9609 -8.9046 -8.8338 -8.8266 -8.6634 -8.5923\n -8.4971 -8.2492 -8.1143 -8.0603 -7.7120 -7.5921 -7.3153 -7.1873\n -7.0161 -6.8493 -6.4152 -6.3484 -6.2981 -6.0809 -6.0717 -5.8406\n -5.5728 -4.9156 -4.7993 -4.7225 -4.4583 -4.2519 -4.1439 -4.0243\n -4.0059 -3.9000 -3.8470 -3.7027 -3.6816 -3.6713 -3.6057 -3.5134\n -3.3976 -3.2340 -3.0787 -2.8181 -2.3700 -2.3232 -0.7774 -0.4049\n -0.1553\n\n the Fermi energy is -6.0763 ev\n\n! total energy = -1655.76726527 Ry\n total all-electron energy = -6224.599613 Ry\n estimated scf accuracy < 3.3E-10 Ry\n smearing contrib. (-TS) = -0.00561641 Ry\n internal energy E=F+TS = -1655.76164886 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18298.41286222 Ry\n hartree contribution = 9182.19088369 Ry\n xc contribution = -312.76432271 Ry\n ewald contribution = 8201.19695931 Ry\n DFT-D3 Dispersion = -0.16252866 Ry\n one-center paw contrib. = -427.80977826 Ry\n\n convergence has been achieved in 37 iterations\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00081126 0.00061637 -0.00007222\n atom 2 type 1 force = -0.00082851 -0.00224045 -0.00077438\n atom 3 type 2 force = 0.00176565 -0.00258145 -0.00004888\n atom 4 type 2 force = -0.00051757 0.00156240 -0.00129710\n atom 5 type 1 force = -0.00290531 -0.00128563 -0.00215577\n atom 6 type 1 force = 0.00209470 0.00033918 0.00237020\n atom 7 type 2 force = -0.00124427 -0.00069833 -0.00026619\n atom 8 type 2 force = 0.00218166 0.00013699 -0.00029318\n atom 9 type 1 force = -0.00348484 -0.00083172 0.00010414\n atom 10 type 1 force = -0.00003292 0.00036174 0.00238207\n atom 11 type 2 force = -0.00013978 0.00147578 0.00024949\n atom 12 type 2 force = 0.00085269 -0.00172309 -0.00034470\n atom 13 type 1 force = -0.00046237 0.00063005 -0.00407467\n atom 14 type 1 force = 0.00108489 -0.00213329 -0.00139300\n atom 15 type 1 force = 0.00034885 -0.00325399 -0.00266329\n atom 16 type 2 force = -0.00042483 0.00282741 0.00056166\n atom 17 type 2 force = -0.00009086 0.00181031 -0.00007943\n atom 18 type 1 force = -0.00198281 0.00135299 0.00275405\n atom 19 type 1 force = 0.00269942 0.00115300 -0.00144696\n atom 20 type 2 force = 0.00044081 -0.00163481 0.00313631\n atom 21 type 2 force = -0.00069958 0.00107056 0.00056962\n atom 22 type 3 force = -0.00115613 0.00090857 0.00099648\n atom 23 type 1 force = 0.00236247 -0.00012789 -0.00015918\n atom 24 type 1 force = 0.00060266 0.00069030 -0.00014693\n atom 25 type 1 force = 0.00054896 -0.00031764 0.00060221\n atom 26 type 1 force = 0.00158621 -0.00010178 -0.00138900\n atom 27 type 1 force = 0.00121959 0.00428752 -0.00227825\n atom 28 type 1 force = -0.00039531 -0.00027154 0.00113609\n atom 29 type 3 force = -0.00057046 0.00032382 0.00002433\n atom 30 type 1 force = -0.00121383 0.00012280 0.00055652\n atom 31 type 1 force = -0.00189231 0.00171337 0.00019011\n atom 32 type 2 force = -0.00200476 0.00166629 -0.00085129\n atom 33 type 2 force = -0.00072504 -0.00206303 0.00000884\n atom 34 type 1 force = 0.00057046 0.00337373 -0.00157423\n atom 35 type 1 force = 0.00112734 0.00166293 -0.00006355\n atom 36 type 2 force = -0.00096822 -0.00272713 -0.00051715\n atom 37 type 2 force = -0.00172453 -0.00035190 0.00152839\n atom 38 type 1 force = -0.00052686 -0.00177278 0.00097825\n atom 39 type 1 force = 0.00081946 -0.00272042 0.00213188\n atom 40 type 1 force = -0.00003126 -0.00012889 -0.00171842\n atom 41 type 2 force = -0.00129825 -0.00114721 -0.00037655\n atom 42 type 2 force = 0.00179146 0.00080878 0.00034177\n atom 43 type 1 force = 0.00055121 -0.00002906 0.00122140\n atom 44 type 1 force = -0.00020949 0.00071332 0.00040767\n atom 45 type 2 force = -0.00052099 0.00200843 0.00110783\n atom 46 type 2 force = 0.00211047 -0.00304170 -0.00166673\n atom 47 type 1 force = 0.00255498 -0.00137927 0.00029072\n atom 48 type 1 force = -0.00077951 0.00222561 0.00069919\n atom 49 type 2 force = -0.00096427 0.00003523 0.00068098\n atom 50 type 2 force = -0.00033034 -0.00131449 0.00062085\n\n Total force = 0.018328 Total SCF correction = 0.000046\n Energy error = 4.6E-04 Ry\n Gradient error = 4.3E-03 Ry/Bohr\n\n number of scf cycles = 61\n number of bfgs steps = 60\n\n energy old = -1655.7668024062 Ry\n energy new = -1655.7672652696 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0540501251 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8091081850 9.7701214761 9.2996289347\nN 10.5868836775 9.9350141087 8.1488971877\nO 9.5958464399 9.3229576562 8.5180703484\nO 10.6988561045 10.8679208787 7.3855561086\nN 13.1498430725 8.5060348641 9.2279552610\nN 12.2951464656 7.0883593335 10.4829490996\nO 12.2685966176 7.4560509903 11.6333476811\nO 12.0125660228 6.0749631388 9.9059968501\nN 14.4017077650 8.0664013778 9.6748922779\nN 15.1726547443 8.4303956077 6.7710104614\nO 14.6948964279 9.4844467553 6.3992900396\nO 15.9205134154 7.6307920154 6.2509067428\nN 15.1202856246 8.8514111214 10.3689286894\nN 16.4200688158 8.4761216533 10.3344867331\nN 16.5947940070 6.5662809958 10.0285777768\nO 17.3420680556 6.2957381952 9.1302756204\nO 15.9347343970 5.9229051374 10.8010063093\nN 17.2491096125 9.0644932476 11.1774387904\nN 17.4314553022 8.2503135131 12.8377504636\nO 17.8340201067 7.1121159034 12.7554518116\nO 17.0768968956 8.9336142875 13.7627480596\nC 18.4803837817 9.3816102910 10.5865001740\nN 19.5475372221 8.5052854542 9.8551496842\nN 19.5543226011 9.5758119433 8.6887958532\nN 20.6349827019 10.3651686836 9.4557374436\nN 19.5653705158 11.2206118682 10.1774069310\nN 19.5438066751 10.1466125183 11.3401346906\nN 20.6265521421 9.3483827054 10.5841839582\nC 18.4981694473 10.3775335190 9.4243465976\nN 17.3170837483 10.8095095359 8.7962350073\nN 17.5839416250 11.3923534692 7.1189135860\nO 17.3965769364 12.5814477409 7.0099437955\nO 17.8265595796 10.5133733419 6.3315788660\nN 16.5131686666 11.5238781322 9.5717035378\nN 16.9228802378 13.4164179380 9.9479328886\nO 16.3143694522 14.2044382206 9.2770031882\nO 17.7456432607 13.5128709720 10.8160368110\nN 15.1860859884 11.2959298761 9.4540420567\nN 14.4782842326 12.1553053515 10.0672984526\nN 15.2176488446 11.6281802028 12.9468459390\nO 16.0505299991 12.3082645744 13.5047475303\nO 14.3595141406 10.8667575928 13.3397635889\nN 13.1564293069 11.8194496530 10.4126300954\nN 12.4829806768 13.3006482268 9.0384974452\nO 12.5919975254 12.9636594851 7.8873240702\nO 12.1418220637 14.3004212815 9.6094788395\nN 12.7496613087 10.5733440046 10.3294521129\nN 10.5952906243 10.6282150894 11.4188868085\nO 9.6011221753 10.9369869451 10.7762341355\nO 10.7099258085 10.2467573850 12.5588323984\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 1712.9 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 28.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 1725.2 secs\n\n total energy = -1655.76719418 Ry\n estimated scf accuracy < 0.00546826 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.04E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.826E-02 0.000E+00\n\n total cpu time spent up to now is 1729.3 secs\n\n total energy = -1655.76648033 Ry\n estimated scf accuracy < 0.13599382 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.04E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 1733.4 secs\n\n total energy = -1655.76745510 Ry\n estimated scf accuracy < 0.00291364 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.848E-02 0.000E+00\n\n total cpu time spent up to now is 1737.6 secs\n\n total energy = -1655.76747706 Ry\n estimated scf accuracy < 0.00087802 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.28E-07, avg # of iterations = 8.0\n\n negative rho (up, down): 2.851E-02 0.000E+00\n\n total cpu time spent up to now is 1742.0 secs\n\n total energy = -1655.76758250 Ry\n estimated scf accuracy < 0.00011301 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.22E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.844E-02 0.000E+00\n\n total cpu time spent up to now is 1747.9 secs\n\n total energy = -1655.76779156 Ry\n estimated scf accuracy < 0.00006565 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.45E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 1752.3 secs\n\n total energy = -1655.76779216 Ry\n estimated scf accuracy < 0.00005267 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.97E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 1756.7 secs\n\n total energy = -1655.76779390 Ry\n estimated scf accuracy < 0.00002351 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.77E-09, avg # of iterations = 11.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 1761.5 secs\n\n total energy = -1655.76780308 Ry\n estimated scf accuracy < 0.00001950 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.27E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 1765.9 secs\n\n total energy = -1655.76780338 Ry\n estimated scf accuracy < 0.00001953 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.27E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 1770.2 secs\n\n total energy = -1655.76780432 Ry\n estimated scf accuracy < 0.00000588 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-09, avg # of iterations = 15.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 1775.5 secs\n\n total energy = -1655.76780867 Ry\n estimated scf accuracy < 0.00000244 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.12E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 1780.3 secs\n\n total energy = -1655.76780964 Ry\n estimated scf accuracy < 0.00000146 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.46E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 1784.9 secs\n\n total energy = -1655.76780990 Ry\n estimated scf accuracy < 0.00000127 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.74E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 1789.3 secs\n\n total energy = -1655.76780996 Ry\n estimated scf accuracy < 0.00000019 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.04E-11, avg # of iterations = 14.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 1795.2 secs\n\n total energy = -1655.76781036 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.61E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 1799.9 secs\n\n total energy = -1655.76781034 Ry\n estimated scf accuracy < 0.00000011 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.61E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 1804.2 secs\n\n total energy = -1655.76781032 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.12E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 1808.5 secs\n\n total energy = -1655.76781029 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 1813.1 secs\n\n total energy = -1655.76781027 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.35E-12, avg # of iterations = 15.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 1818.6 secs\n\n total energy = -1655.76781029 Ry\n estimated scf accuracy < 5.6E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.07E-12, avg # of iterations = 15.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 1824.0 secs\n\n total energy = -1655.76781028 Ry\n estimated scf accuracy < 2.9E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 1828.5 secs\n\n total energy = -1655.76781028 Ry\n estimated scf accuracy < 2.6E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.63E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 1832.8 secs\n\n total energy = -1655.76781027 Ry\n estimated scf accuracy < 2.3E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.71E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 1837.1 secs\n\n total energy = -1655.76781026 Ry\n estimated scf accuracy < 8.7E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.26E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 1842.2 secs\n\n total energy = -1655.76781026 Ry\n estimated scf accuracy < 5.5E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.07E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 1845.8 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8296 -32.8259 -32.7830 -32.7811 -32.6676 -32.6421 -32.1671 -32.1081\n -32.0755 -31.9613 -30.6559 -29.6410 -29.2341 -28.9700 -28.9474 -28.9076\n -28.9038 -28.8977 -28.8928 -28.6014 -28.4348 -28.3576 -28.1902 -28.0778\n -27.4581 -26.8319 -25.5641 -24.7778 -24.3484 -24.0169 -22.8276 -21.9724\n -20.6988 -19.2513 -18.6966 -18.1894 -17.8986 -17.5399 -17.3411 -17.2499\n -17.1049 -16.9801 -16.6174 -16.5569 -16.5533 -16.5283 -16.4261 -16.3916\n -15.7439 -15.6937 -15.4786 -15.3272 -15.1511 -15.0785 -15.0397 -14.8649\n -14.7652 -14.6948 -14.6656 -14.5987 -14.4965 -14.4879 -14.4580 -14.4441\n -14.2996 -14.2555 -14.2548 -14.2456 -14.2292 -14.2110 -14.1066 -13.9868\n -13.9680 -13.9549 -13.9271 -13.8880 -13.8417 -13.7799 -13.7292 -13.6871\n -13.6343 -13.6014 -13.1873 -13.0686 -12.7253 -12.4442 -12.1223 -12.0607\n -11.8002 -11.4599 -11.4139 -11.3128 -10.9540 -10.7658 -10.4651 -10.0174\n -9.9204 -9.7913 -9.7784 -9.6833 -9.6597 -9.6370 -9.6306 -9.5391\n -9.4999 -9.3906 -9.3720 -9.3397 -9.3343 -9.1930 -9.1593 -9.1344\n -9.0620 -8.9861 -8.9682 -8.8870 -8.8187 -8.8105 -8.6659 -8.5972\n -8.4956 -8.2642 -8.1112 -8.0667 -7.7119 -7.5910 -7.3157 -7.1871\n -7.0133 -6.8495 -6.4178 -6.3494 -6.2959 -6.0880 -6.0787 -5.8478\n -5.5660 -4.9177 -4.7927 -4.7257 -4.4461 -4.2407 -4.1490 -4.0331\n -3.9984 -3.9115 -3.8597 -3.7100 -3.6747 -3.6680 -3.6025 -3.5156\n -3.3950 -3.2267 -3.0757 -2.8088 -2.3705 -2.3123 -0.7865 -0.4050\n -0.1579\n\n the Fermi energy is -6.0833 ev\n\n! total energy = -1655.76781023 Ry\n total all-electron energy = -6224.600158 Ry\n estimated scf accuracy < 3.8E-10 Ry\n smearing contrib. (-TS) = -0.00561601 Ry\n internal energy E=F+TS = -1655.76219422 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18309.93932121 Ry\n hartree contribution = 9187.95172379 Ry\n xc contribution = -312.76506280 Ry\n ewald contribution = 8206.96334631 Ry\n DFT-D3 Dispersion = -0.16281291 Ry\n one-center paw contrib. = -427.81006740 Ry\n\n convergence has been achieved in 27 iterations\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00000393 -0.00015584 -0.00031808\n atom 2 type 1 force = -0.00013528 -0.00026774 -0.00199046\n atom 3 type 2 force = 0.00411188 -0.00260976 -0.00066340\n atom 4 type 2 force = -0.00002370 -0.00043310 0.00000448\n atom 5 type 1 force = -0.00320956 -0.00075795 -0.00135986\n atom 6 type 1 force = 0.00214269 0.00125370 0.00115069\n atom 7 type 2 force = -0.00170827 -0.00188363 -0.00027703\n atom 8 type 2 force = 0.00191158 0.00039178 0.00098215\n atom 9 type 1 force = -0.00303642 -0.00289333 -0.00124401\n atom 10 type 1 force = 0.00072296 0.00122172 -0.00036651\n atom 11 type 2 force = 0.00089304 -0.00103631 0.00145999\n atom 12 type 2 force = -0.00089671 -0.00007449 0.00113911\n atom 13 type 1 force = -0.00022369 -0.00041453 -0.00361040\n atom 14 type 1 force = 0.00048430 0.00048634 0.00015256\n atom 15 type 1 force = 0.00072347 -0.00019539 -0.00304443\n atom 16 type 2 force = 0.00021612 0.00188441 -0.00012186\n atom 17 type 2 force = -0.00128606 -0.00083670 0.00147886\n atom 18 type 1 force = -0.00011415 0.00075373 0.00195573\n atom 19 type 1 force = 0.00135536 -0.00100012 0.00168658\n atom 20 type 2 force = 0.00039033 -0.00009162 0.00156253\n atom 21 type 2 force = -0.00015067 0.00168576 -0.00128487\n atom 22 type 3 force = 0.00040597 0.00003517 0.00095308\n atom 23 type 1 force = 0.00170671 0.00143032 -0.00148852\n atom 24 type 1 force = -0.00065959 -0.00089264 0.00089316\n atom 25 type 1 force = 0.00020012 0.00063332 -0.00005406\n atom 26 type 1 force = 0.00073203 -0.00013007 -0.00143848\n atom 27 type 1 force = 0.00033148 0.00420105 -0.00116273\n atom 28 type 1 force = -0.00028329 -0.00056013 0.00035687\n atom 29 type 3 force = 0.00089236 0.00040440 0.00122183\n atom 30 type 1 force = -0.00053244 -0.00122156 0.00181002\n atom 31 type 1 force = -0.00393429 -0.00092555 -0.00225107\n atom 32 type 2 force = -0.00100588 0.00064863 -0.00124654\n atom 33 type 2 force = -0.00071260 0.00188078 0.00266359\n atom 34 type 1 force = 0.00060328 0.00390316 -0.00390154\n atom 35 type 1 force = 0.00268326 0.00071637 0.00247150\n atom 36 type 2 force = -0.00326924 -0.00193206 -0.00279061\n atom 37 type 2 force = -0.00064513 -0.00036404 0.00232596\n atom 38 type 1 force = 0.00032439 -0.00100547 -0.00000254\n atom 39 type 1 force = 0.00021287 -0.00117904 0.00202010\n atom 40 type 1 force = -0.00200104 -0.00190948 0.00032785\n atom 41 type 2 force = 0.00110091 0.00092563 -0.00061259\n atom 42 type 2 force = 0.00136846 0.00052581 -0.00138393\n atom 43 type 1 force = 0.00130867 -0.00059180 0.00230958\n atom 44 type 1 force = 0.00158199 -0.00239522 0.00314305\n atom 45 type 2 force = -0.00059428 0.00205305 -0.00220968\n atom 46 type 2 force = 0.00088502 0.00015449 -0.00105063\n atom 47 type 1 force = 0.00193980 -0.00049924 -0.00073760\n atom 48 type 1 force = -0.00215722 0.00207526 -0.00003425\n atom 49 type 2 force = -0.00076054 -0.00014941 0.00246387\n atom 50 type 2 force = -0.00188504 -0.00085865 0.00011250\n\n Total force = 0.019170 Total SCF correction = 0.000052\n Energy error = 5.4E-04 Ry\n Gradient error = 4.2E-03 Ry/Bohr\n\n number of scf cycles = 62\n number of bfgs steps = 61\n\n energy old = -1655.7672652696 Ry\n energy new = -1655.7678102304 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0395300809 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8148867093 9.7699977137 9.3009291891\nN 10.5849494528 9.9317858560 8.1509460265\nO 9.5953578567 9.3191867292 8.5231071748\nO 10.6946339855 10.8662591805 7.3896530425\nN 13.1511648344 8.5042057860 9.2237813235\nN 12.3070401542 7.0868762915 10.4842579091\nO 12.2748895547 7.4606660128 11.6325286434\nO 12.0322340635 6.0696461962 9.9107380001\nN 14.4034070432 8.0659863665 9.6712337240\nN 15.1796682636 8.4338122578 6.7794733987\nO 14.6960590889 9.4826556384 6.4034560857\nO 15.9161737105 7.6272236787 6.2549940869\nN 15.1228022980 8.8520516123 10.3640592362\nN 16.4231659711 8.4773476551 10.3321174737\nN 16.6003537978 6.5686851196 10.0211068409\nO 17.3466488498 6.3036091870 9.1211169865\nO 15.9410228743 5.9259201507 10.7952878005\nN 17.2458297539 9.0728408144 11.1779027566\nN 17.4384201855 8.2590200113 12.8382266202\nO 17.8405509161 7.1203277967 12.7590406037\nO 17.0813269725 8.9404425889 13.7630198493\nC 18.4775152951 9.3917238951 10.5862923038\nN 19.5468967698 8.5101049773 9.8605728384\nN 19.5534829987 9.5749192754 8.6873364153\nN 20.6343607630 10.3668062341 9.4511321603\nN 19.5650805504 11.2270513992 10.1654175839\nN 19.5419140673 10.1630942131 11.3340135003\nN 20.6244991693 9.3575618365 10.5862047954\nC 18.4959942232 10.3807892623 9.4185662976\nN 17.3127927538 10.8132406033 8.7922402472\nN 17.5741811808 11.3941083198 7.1209292010\nO 17.3764956283 12.5797273031 7.0059339095\nO 17.8223839578 10.5125957147 6.3377379423\nN 16.5094860099 11.5234034545 9.5718824069\nN 16.9163716628 13.4142070134 9.9477552968\nO 16.3146207191 14.2041951528 9.2729452430\nO 17.7320458759 13.5067839185 10.8228465481\nN 15.1829937413 11.2884628755 9.4586283232\nN 14.4749315610 12.1471917379 10.0735495782\nN 15.2197343937 11.6246307383 12.9404862548\nO 16.0508906758 12.3092302501 13.4960048743\nO 14.3632114578 10.8660726902 13.3407158537\nN 13.1535914003 11.8150922956 10.4175678488\nN 12.4800845170 13.2908429750 9.0423806281\nO 12.5895093536 12.9557183980 7.8899202465\nO 12.1424481745 14.2908385081 9.6151312262\nN 12.7521902789 10.5646671547 10.3351939933\nN 10.5943907357 10.6230404816 11.4188249776\nO 9.6008982656 10.9280272370 10.7742471551\nO 10.7091105268 10.2430037001 12.5593673111\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 1856.1 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 4 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 1867.0 secs\n\n total energy = -1655.76695127 Ry\n estimated scf accuracy < 0.00854522 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.19E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.841E-02 0.000E+00\n\n total cpu time spent up to now is 1871.1 secs\n\n total energy = -1655.76459312 Ry\n estimated scf accuracy < 0.46621175 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.19E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.863E-02 0.000E+00\n\n total cpu time spent up to now is 1875.2 secs\n\n total energy = -1655.76791921 Ry\n estimated scf accuracy < 0.00068067 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.54E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.860E-02 0.000E+00\n\n total cpu time spent up to now is 1879.8 secs\n\n total energy = -1655.76806953 Ry\n estimated scf accuracy < 0.00174528 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.54E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.856E-02 0.000E+00\n\n total cpu time spent up to now is 1884.0 secs\n\n total energy = -1655.76812243 Ry\n estimated scf accuracy < 0.00005686 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.12E-08, avg # of iterations = 14.0\n\n negative rho (up, down): 2.850E-02 0.000E+00\n\n total cpu time spent up to now is 1890.4 secs\n\n total energy = -1655.76829878 Ry\n estimated scf accuracy < 0.00006524 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.12E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.839E-02 0.000E+00\n\n total cpu time spent up to now is 1894.7 secs\n\n total energy = -1655.76829645 Ry\n estimated scf accuracy < 0.00003371 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.26E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 1899.0 secs\n\n total energy = -1655.76829543 Ry\n estimated scf accuracy < 0.00001682 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.28E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 1903.6 secs\n\n total energy = -1655.76829864 Ry\n estimated scf accuracy < 0.00000348 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.30E-09, avg # of iterations = 15.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 1909.6 secs\n\n total energy = -1655.76830518 Ry\n estimated scf accuracy < 0.00000494 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.30E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 1913.9 secs\n\n total energy = -1655.76830508 Ry\n estimated scf accuracy < 0.00000591 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.30E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 1918.1 secs\n\n total energy = -1655.76830533 Ry\n estimated scf accuracy < 0.00000070 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.62E-10, avg # of iterations = 14.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 1923.4 secs\n\n total energy = -1655.76830598 Ry\n estimated scf accuracy < 0.00000050 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.86E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 1927.7 secs\n\n total energy = -1655.76830604 Ry\n estimated scf accuracy < 0.00000035 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.30E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 1932.0 secs\n\n total energy = -1655.76830606 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.75E-11, avg # of iterations = 15.0\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 1937.3 secs\n\n total energy = -1655.76830613 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.95E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 1942.2 secs\n\n total energy = -1655.76830610 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.86E-12, avg # of iterations = 13.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 1947.3 secs\n\n total energy = -1655.76830609 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.05E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 1951.9 secs\n\n total energy = -1655.76830606 Ry\n estimated scf accuracy < 8.8E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.29E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 1956.5 secs\n\n total energy = -1655.76830603 Ry\n estimated scf accuracy < 5.6E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.08E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 1961.1 secs\n\n total energy = -1655.76830602 Ry\n estimated scf accuracy < 7.2E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.08E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 1965.5 secs\n\n total energy = -1655.76830597 Ry\n estimated scf accuracy < 3.4E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.26E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 1970.1 secs\n\n total energy = -1655.76830594 Ry\n estimated scf accuracy < 7.0E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.26E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 1974.4 secs\n\n total energy = -1655.76830591 Ry\n estimated scf accuracy < 2.1E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.75E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 1979.1 secs\n\n total energy = -1655.76830592 Ry\n estimated scf accuracy < 9.3E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.46E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 1984.2 secs\n\n total energy = -1655.76830592 Ry\n estimated scf accuracy < 4.9E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.84E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 1987.8 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8402 -32.8381 -32.7896 -32.7844 -32.6730 -32.6364 -32.1624 -32.1264\n -32.0813 -31.9660 -30.6532 -29.6432 -29.2289 -28.9991 -28.9545 -28.9151\n -28.9097 -28.8972 -28.8794 -28.6037 -28.4176 -28.3700 -28.1990 -28.0837\n -27.4550 -26.8264 -25.5484 -24.7733 -24.3425 -24.0147 -22.8296 -21.9588\n -20.6927 -19.2462 -18.6849 -18.1782 -17.9164 -17.5351 -17.3528 -17.2578\n -17.1031 -16.9842 -16.6157 -16.5570 -16.5433 -16.5263 -16.4254 -16.3871\n -15.7398 -15.6946 -15.4908 -15.3327 -15.1511 -15.0807 -15.0381 -14.8682\n -14.7676 -14.7002 -14.6728 -14.6117 -14.5009 -14.4908 -14.4565 -14.4386\n -14.2969 -14.2688 -14.2594 -14.2487 -14.2306 -14.2126 -14.1130 -13.9741\n -13.9601 -13.9584 -13.9372 -13.8905 -13.8455 -13.7815 -13.7302 -13.6842\n -13.6387 -13.6057 -13.1976 -13.0695 -12.7180 -12.4435 -12.1222 -12.0521\n -11.7934 -11.4605 -11.4130 -11.3090 -10.9483 -10.7616 -10.4589 -10.0132\n -9.9233 -9.7895 -9.7767 -9.6779 -9.6595 -9.6391 -9.6326 -9.5427\n -9.5094 -9.3810 -9.3721 -9.3431 -9.3342 -9.1974 -9.1630 -9.1380\n -9.0637 -8.9951 -8.9709 -8.8779 -8.8135 -8.8094 -8.6665 -8.6009\n -8.4992 -8.2767 -8.1093 -8.0677 -7.7135 -7.5904 -7.3143 -7.1882\n -7.0028 -6.8508 -6.4181 -6.3500 -6.2920 -6.0895 -6.0797 -5.8549\n -5.5594 -4.9163 -4.7856 -4.7321 -4.4337 -4.2265 -4.1436 -4.0479\n -4.0018 -3.9137 -3.8650 -3.7108 -3.6704 -3.6562 -3.5943 -3.5139\n -3.3947 -3.2156 -3.0745 -2.8069 -2.3706 -2.2994 -0.7757 -0.4045\n -0.1583\n\n the Fermi energy is -6.0846 ev\n\n! total energy = -1655.76830590 Ry\n total all-electron energy = -6224.600654 Ry\n estimated scf accuracy < 2.3E-10 Ry\n smearing contrib. (-TS) = -0.00561285 Ry\n internal energy E=F+TS = -1655.76269305 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18320.70524929 Ry\n hartree contribution = 9193.33099270 Ry\n xc contribution = -312.77158665 Ry\n ewald contribution = 8212.35638067 Ry\n DFT-D3 Dispersion = -0.16308053 Ry\n one-center paw contrib. = -427.81014994 Ry\n\n convergence has been achieved in 27 iterations\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00109628 -0.00051128 -0.00099226\n atom 2 type 1 force = 0.00038779 -0.00057534 -0.00111593\n atom 3 type 2 force = 0.00358019 -0.00271984 -0.00116411\n atom 4 type 2 force = 0.00099514 0.00000340 -0.00066379\n atom 5 type 1 force = -0.00241328 -0.00058704 -0.00032670\n atom 6 type 1 force = 0.00158511 0.00218424 0.00119351\n atom 7 type 2 force = -0.00176640 -0.00234893 -0.00024870\n atom 8 type 2 force = 0.00149969 -0.00015373 0.00104938\n atom 9 type 1 force = -0.00066893 -0.00264682 -0.00124481\n atom 10 type 1 force = 0.00088728 0.00028335 0.00028121\n atom 11 type 2 force = -0.00018326 0.00105252 0.00107018\n atom 12 type 2 force = 0.00003501 -0.00128077 0.00080585\n atom 13 type 1 force = -0.00176870 -0.00231101 -0.00399986\n atom 14 type 1 force = -0.00095994 0.00211019 0.00093377\n atom 15 type 1 force = -0.00029753 0.00096786 -0.00063457\n atom 16 type 2 force = -0.00005309 0.00055255 -0.00010294\n atom 17 type 2 force = 0.00034090 -0.00104593 -0.00046292\n atom 18 type 1 force = 0.00280920 0.00019661 0.00051263\n atom 19 type 1 force = -0.00008879 -0.00258084 0.00199718\n atom 20 type 2 force = 0.00095235 -0.00016624 0.00011493\n atom 21 type 2 force = -0.00030587 0.00351250 -0.00019082\n atom 22 type 3 force = 0.00110181 -0.00057865 0.00067286\n atom 23 type 1 force = 0.00046776 0.00243383 -0.00140240\n atom 24 type 1 force = -0.00078185 -0.00172447 0.00112367\n atom 25 type 1 force = -0.00057245 0.00117691 -0.00089192\n atom 26 type 1 force = 0.00026192 0.00045762 -0.00144312\n atom 27 type 1 force = 0.00035514 0.00279133 0.00042420\n atom 28 type 1 force = -0.00022503 -0.00002736 -0.00017734\n atom 29 type 3 force = 0.00130085 0.00047650 0.00144762\n atom 30 type 1 force = 0.00181086 -0.00241415 0.00172080\n atom 31 type 1 force = -0.00451807 -0.00450994 -0.00216403\n atom 32 type 2 force = -0.00121021 0.00363792 -0.00125125\n atom 33 type 2 force = -0.00010297 0.00199062 0.00209107\n atom 34 type 1 force = -0.00014065 0.00390353 -0.00409713\n atom 35 type 1 force = 0.00221570 0.00033837 0.00305671\n atom 36 type 2 force = -0.00309586 -0.00226495 -0.00247827\n atom 37 type 2 force = -0.00039278 0.00026365 0.00212201\n atom 38 type 1 force = -0.00015202 0.00142909 0.00009575\n atom 39 type 1 force = 0.00075767 -0.00042344 0.00125101\n atom 40 type 1 force = -0.00081411 -0.00090896 0.00180925\n atom 41 type 2 force = 0.00156200 0.00135808 -0.00151166\n atom 42 type 2 force = -0.00027004 -0.00087982 -0.00186546\n atom 43 type 1 force = 0.00202573 -0.00179618 0.00286301\n atom 44 type 1 force = 0.00183108 -0.00250901 0.00141623\n atom 45 type 2 force = -0.00076093 0.00265462 -0.00009326\n atom 46 type 2 force = 0.00084622 -0.00011242 -0.00146107\n atom 47 type 1 force = 0.00087545 0.00020146 -0.00099773\n atom 48 type 1 force = -0.00127538 0.00125533 0.00070247\n atom 49 type 2 force = -0.00216162 0.00038968 0.00234658\n atom 50 type 2 force = -0.00240879 -0.00054457 -0.00011981\n\n Total force = 0.020018 Total SCF correction = 0.000029\n Energy error = 5.0E-04 Ry\n Gradient error = 4.5E-03 Ry/Bohr\n\n number of scf cycles = 63\n number of bfgs steps = 62\n\n energy old = -1655.7678102304 Ry\n energy new = -1655.7683058990 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0853629649 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8215631626 9.7651825210 9.3040377250\nN 10.5817615268 9.9237256435 8.1567315599\nO 9.5952590434 9.3075562796 8.5315358063\nO 10.6879985070 10.8647082668 7.4020822083\nN 13.1535014978 8.4975384440 9.2205647497\nN 12.3259750588 7.0836007971 10.4885899775\nO 12.2857648365 7.4642765694 11.6334508259\nO 12.0590261971 6.0609002523 9.9209656031\nN 14.4088433496 8.0620493569 9.6667295558\nN 15.1926771653 8.4355548781 6.7887028269\nO 14.6968304410 9.4764532568 6.4053431945\nO 15.9131377425 7.6181664045 6.2577204001\nN 15.1253611743 8.8505241464 10.3576343342\nN 16.4284404325 8.4851138434 10.3294414454\nN 16.6153680458 6.5765043494 10.0080666233\nO 17.3593559032 6.3217451257 9.1041596200\nO 15.9596023645 5.9318218605 10.7832768844\nN 17.2440655478 9.0911227049 11.1787814776\nN 17.4524407255 8.2731949831 12.8388199239\nO 17.8551275394 7.1341453252 12.7596437383\nO 17.0955420171 8.9539675265 13.7646485583\nC 18.4743139107 9.4108437340 10.5857345013\nN 19.5459005827 8.5222272400 9.8687341691\nN 19.5518343359 9.5738749931 8.6845398820\nN 20.6324419403 10.3728865249 9.4414023008\nN 19.5645356074 11.2411676806 10.1431527804\nN 19.5393192835 10.1947649734 11.3238839296\nN 20.6210782653 9.3758800742 10.5885381841\nC 18.4934557930 10.3885031021 9.4087320766\nN 17.3070136986 10.8180630244 8.7853524666\nN 17.5553369811 11.3968222153 7.1223393315\nO 17.3321976578 12.5787994432 6.9971389832\nO 17.8223543998 10.5133703155 6.3473073904\nN 16.5024452647 11.5247975729 9.5676684377\nN 16.9048193564 13.4107104694 9.9511663537\nO 16.3112347118 14.2018961567 9.2712570995\nO 17.7102676608 13.4946554315 10.8358727618\nN 15.1768729849 11.2778094923 9.4630776067\nN 14.4688750044 12.1346895597 10.0804379690\nN 15.2260445968 11.6194705057 12.9353975608\nO 16.0559802823 12.3127906958 13.4828775812\nO 14.3676045236 10.8689528408 13.3466956340\nN 13.1495777194 11.8053870947 10.4255452424\nN 12.4701458940 13.2709860120 9.0488384904\nO 12.5777470058 12.9413916638 7.8941362857\nO 12.1338866763 14.2710655156 9.6221706112\nN 12.7549350105 10.5505953885 10.3429236405\nN 10.5914060694 10.6116914799 11.4204116912\nO 9.5980934999 10.9090557181 10.7728897949\nO 10.7053320479 10.2346768054 12.5616519383\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.773E-02 0.000E+00\n\n total cpu time spent up to now is 1997.9 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 34.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 2012.2 secs\n\n total energy = -1655.76856978 Ry\n estimated scf accuracy < 0.00589194 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.20E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2016.3 secs\n\n total energy = -1655.76843200 Ry\n estimated scf accuracy < 0.00343014 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.28E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 2020.5 secs\n\n total energy = -1655.76796806 Ry\n estimated scf accuracy < 0.07284650 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.28E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 2024.6 secs\n\n total energy = -1655.76851469 Ry\n estimated scf accuracy < 0.00239034 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.92E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 2028.8 secs\n\n total energy = -1655.76863655 Ry\n estimated scf accuracy < 0.00013919 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.19E-08, avg # of iterations = 14.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 2035.0 secs\n\n total energy = -1655.76895074 Ry\n estimated scf accuracy < 0.00015534 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.19E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 2039.3 secs\n\n total energy = -1655.76892061 Ry\n estimated scf accuracy < 0.00010038 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.75E-08, avg # of iterations = 3.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 2043.7 secs\n\n total energy = -1655.76893695 Ry\n estimated scf accuracy < 0.00000932 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.48E-09, avg # of iterations = 16.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 2049.8 secs\n\n total energy = -1655.76895519 Ry\n estimated scf accuracy < 0.00000687 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.56E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 2054.1 secs\n\n total energy = -1655.76895435 Ry\n estimated scf accuracy < 0.00000623 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.32E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 2058.7 secs\n\n total energy = -1655.76895530 Ry\n estimated scf accuracy < 0.00000220 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.20E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 2063.7 secs\n\n total energy = -1655.76895646 Ry\n estimated scf accuracy < 0.00000113 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.23E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 2068.3 secs\n\n total energy = -1655.76895674 Ry\n estimated scf accuracy < 0.00000039 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-10, avg # of iterations = 14.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 2073.6 secs\n\n total energy = -1655.76895703 Ry\n estimated scf accuracy < 0.00000076 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 2077.9 secs\n\n total energy = -1655.76895707 Ry\n estimated scf accuracy < 0.00000011 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.24E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 2083.2 secs\n\n total energy = -1655.76895715 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.96E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 2087.6 secs\n\n total energy = -1655.76895716 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.15E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2092.2 secs\n\n total energy = -1655.76895717 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.15E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2096.9 secs\n\n total energy = -1655.76895718 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.31E-12, avg # of iterations = 15.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2102.5 secs\n\n total energy = -1655.76895720 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.87E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2107.0 secs\n\n total energy = -1655.76895720 Ry\n estimated scf accuracy < 8.0E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.98E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2111.4 secs\n\n total energy = -1655.76895721 Ry\n estimated scf accuracy < 3.2E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.21E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2116.5 secs\n\n total energy = -1655.76895721 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.41E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2121.3 secs\n\n total energy = -1655.76895721 Ry\n estimated scf accuracy < 5.1E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.92E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 2125.6 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8612 -32.8423 -32.7967 -32.7745 -32.6827 -32.6237 -32.1527 -32.1129\n -32.0910 -31.9595 -30.6575 -29.6521 -29.2299 -29.0437 -28.9964 -28.9195\n -28.8920 -28.8722 -28.8637 -28.6031 -28.4048 -28.3560 -28.2068 -28.0873\n -27.4490 -26.8284 -25.5389 -24.7775 -24.3461 -24.0149 -22.8299 -21.9527\n -20.6962 -19.2422 -18.6764 -18.1700 -17.9432 -17.5291 -17.3608 -17.2821\n -17.1022 -16.9820 -16.6104 -16.5558 -16.5400 -16.5230 -16.4268 -16.3831\n -15.7400 -15.7026 -15.5111 -15.3444 -15.1613 -15.0800 -15.0415 -14.8708\n -14.7726 -14.7046 -14.6850 -14.6296 -14.5072 -14.4924 -14.4449 -14.4339\n -14.3149 -14.2755 -14.2685 -14.2583 -14.2167 -14.2098 -14.1187 -13.9675\n -13.9527 -13.9505 -13.9262 -13.8923 -13.8475 -13.7803 -13.7283 -13.6787\n -13.6343 -13.5996 -13.2157 -13.0716 -12.7115 -12.4399 -12.1260 -12.0500\n -11.7859 -11.4677 -11.4099 -11.3166 -10.9415 -10.7638 -10.4476 -10.0127\n -9.9289 -9.7922 -9.7791 -9.6719 -9.6551 -9.6376 -9.6208 -9.5581\n -9.5235 -9.3750 -9.3661 -9.3472 -9.3369 -9.2101 -9.1730 -9.1377\n -9.0541 -9.0062 -8.9697 -8.8788 -8.8111 -8.8042 -8.6670 -8.6019\n -8.5037 -8.2892 -8.1111 -8.0736 -7.7217 -7.5918 -7.3147 -7.1913\n -6.9915 -6.8548 -6.4198 -6.3510 -6.2907 -6.0914 -6.0811 -5.8631\n -5.5509 -4.9091 -4.7751 -4.7456 -4.4191 -4.2221 -4.1472 -4.0625\n -4.0178 -3.9123 -3.8572 -3.7102 -3.6698 -3.6539 -3.5857 -3.5139\n -3.3978 -3.1975 -3.0688 -2.8082 -2.3709 -2.2837 -0.7537 -0.4045\n -0.1588\n\n the Fermi energy is -6.0862 ev\n\n! total energy = -1655.76895721 Ry\n total all-electron energy = -6224.601305 Ry\n estimated scf accuracy < 3.3E-10 Ry\n smearing contrib. (-TS) = -0.00560992 Ry\n internal energy E=F+TS = -1655.76334730 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18334.91052944 Ry\n hartree contribution = 9200.42270746 Ry\n xc contribution = -312.77403600 Ry\n ewald contribution = 8219.47216064 Ry\n DFT-D3 Dispersion = -0.16346975 Ry\n one-center paw contrib. = -427.81018021 Ry\n\n convergence has been achieved in 25 iterations\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00214860 -0.00135740 -0.00183586\n atom 2 type 1 force = 0.00109743 0.00038971 -0.00114048\n atom 3 type 2 force = 0.00276178 -0.00204601 -0.00247636\n atom 4 type 2 force = 0.00162535 -0.00175243 0.00018296\n atom 5 type 1 force = -0.00164192 -0.00031375 0.00060860\n atom 6 type 1 force = 0.00012853 0.00144517 -0.00046592\n atom 7 type 2 force = -0.00160346 -0.00151831 0.00197064\n atom 8 type 2 force = 0.00126583 -0.00044709 0.00068936\n atom 9 type 1 force = 0.00049484 -0.00327303 -0.00253084\n atom 10 type 1 force = 0.00107021 0.00025102 -0.00055567\n atom 11 type 2 force = 0.00019111 0.00039353 0.00138346\n atom 12 type 2 force = -0.00049409 -0.00066024 0.00125429\n atom 13 type 1 force = -0.00063902 -0.00172239 -0.00200893\n atom 14 type 1 force = -0.00123742 0.00323055 0.00204713\n atom 15 type 1 force = -0.00074087 0.00348612 0.00118402\n atom 16 type 2 force = -0.00011654 -0.00101669 -0.00030153\n atom 17 type 2 force = 0.00128774 -0.00237787 -0.00146836\n atom 18 type 1 force = 0.00196759 -0.00198626 -0.00144666\n atom 19 type 1 force = -0.00170299 -0.00316995 0.00303437\n atom 20 type 2 force = 0.00064218 0.00135804 -0.00054328\n atom 21 type 2 force = 0.00041853 0.00299226 -0.00052546\n atom 22 type 3 force = 0.00279877 0.00015981 -0.00009228\n atom 23 type 1 force = -0.00120796 0.00265086 -0.00015193\n atom 24 type 1 force = -0.00124148 -0.00155638 0.00142854\n atom 25 type 1 force = -0.00082479 0.00132472 -0.00177626\n atom 26 type 1 force = -0.00094912 0.00079809 -0.00107498\n atom 27 type 1 force = 0.00015702 0.00010379 0.00191022\n atom 28 type 1 force = -0.00013266 0.00154121 -0.00144920\n atom 29 type 3 force = 0.00149219 0.00010645 0.00124971\n atom 30 type 1 force = 0.00208884 -0.00150337 0.00093353\n atom 31 type 1 force = -0.00550284 -0.00191284 -0.00202981\n atom 32 type 2 force = -0.00022310 -0.00149792 -0.00069227\n atom 33 type 2 force = 0.00029439 0.00306447 0.00069662\n atom 34 type 1 force = -0.00029948 0.00262150 -0.00404715\n atom 35 type 1 force = 0.00095389 -0.00191363 0.00270735\n atom 36 type 2 force = -0.00246255 -0.00156144 -0.00163661\n atom 37 type 2 force = 0.00007974 0.00180316 0.00212125\n atom 38 type 1 force = 0.00104508 0.00374347 -0.00036776\n atom 39 type 1 force = 0.00115597 0.00139927 0.00097778\n atom 40 type 1 force = -0.00028123 -0.00034594 0.00307499\n atom 41 type 2 force = 0.00100333 0.00085968 -0.00221223\n atom 42 type 2 force = -0.00025140 -0.00095089 -0.00227524\n atom 43 type 1 force = 0.00219146 -0.00300426 0.00309279\n atom 44 type 1 force = 0.00161412 -0.00130884 -0.00060917\n atom 45 type 2 force = -0.00016157 0.00163604 0.00090446\n atom 46 type 2 force = 0.00068933 0.00038988 -0.00027652\n atom 47 type 1 force = -0.00060335 0.00024008 -0.00087616\n atom 48 type 1 force = -0.00040176 0.00050153 0.00044405\n atom 49 type 2 force = -0.00191906 0.00130929 0.00189291\n atom 50 type 2 force = -0.00172797 -0.00060272 0.00107792\n\n Total force = 0.020320 Total SCF correction = 0.000041\n Energy error = 6.5E-04 Ry\n Gradient error = 5.5E-03 Ry/Bohr\n\n number of scf cycles = 64\n number of bfgs steps = 63\n\n energy old = -1655.7683058990 Ry\n energy new = -1655.7689572139 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0672325364 bohr\n new conv_thr = 0.0000000006 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8279198710 9.7618704216 9.3048698126\nN 10.5786486741 9.9184340632 8.1589631026\nO 9.5965234767 9.2979052410 8.5376462615\nO 10.6808622274 10.8615486973 7.4081764467\nN 13.1541887479 8.4926303950 9.2160350692\nN 12.3440639241 7.0824445136 10.4908631395\nO 12.2940691243 7.4685819120 11.6341970709\nO 12.0910301649 6.0517924321 9.9303767644\nN 14.4132435328 8.0554008343 9.6582677714\nN 15.2059591116 8.4404012452 6.8007226110\nO 14.6981877419 9.4734602370 6.4119361656\nO 15.9076164010 7.6103989852 6.2634384994\nN 15.1283301243 8.8466579867 10.3493227083\nN 16.4325668058 8.4921897934 10.3267701332\nN 16.6236858812 6.5833493107 9.9959387650\nO 17.3673945531 6.3350450819 9.0903833690\nO 15.9722964839 5.9338923469 10.7729784099\nN 17.2426675395 9.1031366105 11.1784260071\nN 17.4615334103 8.2837672486 12.8424004568\nO 17.8673989184 7.1466591862 12.7646080286\nO 17.1042851823 8.9686784240 13.7646183565\nC 18.4731558774 9.4267206159 10.5856849262\nN 19.5451950361 8.5336567318 9.8765197652\nN 19.5490396454 9.5713523875 8.6836038120\nN 20.6296288965 10.3789728508 9.4313758742\nN 19.5629124475 11.2533144457 10.1238501468\nN 19.5373875169 10.2214981311 11.3163709463\nN 20.6183009096 9.3930512398 10.5892393753\nC 18.4915354852 10.3946801711 9.4012028236\nN 17.3019453728 10.8215464953 8.7798975586\nN 17.5315319696 11.3997373336 7.1238821752\nO 17.2976814056 12.5756869629 6.9890935109\nO 17.8176172400 10.5140011366 6.3563987291\nN 16.4965260125 11.5277724666 9.5621585941\nN 16.8950377445 13.4073441981 9.9544032871\nO 16.3086073480 14.1977564776 9.2651410138\nO 17.6897246345 13.4875667374 10.8492462186\nN 15.1736846761 11.2704945060 9.4688324109\nN 14.4662351461 12.1243144328 10.0912409093\nN 15.2307833507 11.6134413710 12.9298781842\nO 16.0592381554 12.3161101217 13.4681848670\nO 14.3724636575 10.8678348477 13.3468372833\nN 13.1489040785 11.7955474778 10.4365454215\nN 12.4661222810 13.2547985777 9.0550941118\nO 12.5713010163 12.9312273902 7.8989930962\nO 12.1337670439 14.2551234696 9.6284742065\nN 12.7589207070 10.5388077594 10.3495330196\nN 10.5880316848 10.6019463776 11.4214556525\nO 9.5947186179 10.8948703748 10.7722611901\nO 10.7002231898 10.2282582042 12.5644636739\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.777E-02 0.000E+00\n\n total cpu time spent up to now is 2135.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 32.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 2149.3 secs\n\n total energy = -1655.76786191 Ry\n estimated scf accuracy < 0.01459302 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.45E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 2153.4 secs\n\n total energy = -1655.76544453 Ry\n estimated scf accuracy < 0.54825803 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.45E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 2157.6 secs\n\n total energy = -1655.76910295 Ry\n estimated scf accuracy < 0.00190870 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.12E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.843E-02 0.000E+00\n\n total cpu time spent up to now is 2161.7 secs\n\n total energy = -1655.76913887 Ry\n estimated scf accuracy < 0.00222500 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.12E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.844E-02 0.000E+00\n\n total cpu time spent up to now is 2166.0 secs\n\n total energy = -1655.76923800 Ry\n estimated scf accuracy < 0.00121519 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.53E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.839E-02 0.000E+00\n\n total cpu time spent up to now is 2170.2 secs\n\n total energy = -1655.76929961 Ry\n estimated scf accuracy < 0.00054744 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.04E-07, avg # of iterations = 8.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 2174.7 secs\n\n total energy = -1655.76935247 Ry\n estimated scf accuracy < 0.00001899 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.09E-09, avg # of iterations = 22.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 2184.3 secs\n\n total energy = -1655.76955237 Ry\n estimated scf accuracy < 0.00017032 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.09E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 2188.6 secs\n\n total energy = -1655.76953495 Ry\n estimated scf accuracy < 0.00029196 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.09E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.827E-02 0.000E+00\n\n total cpu time spent up to now is 2193.0 secs\n\n total energy = -1655.76950499 Ry\n estimated scf accuracy < 0.00050742 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.09E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.827E-02 0.000E+00\n\n total cpu time spent up to now is 2198.2 secs\n\n total energy = -1655.76952382 Ry\n estimated scf accuracy < 0.00037385 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.09E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.826E-02 0.000E+00\n\n total cpu time spent up to now is 2202.7 secs\n\n total energy = -1655.76952707 Ry\n estimated scf accuracy < 0.00000730 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.72E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 2207.5 secs\n\n total energy = -1655.76952946 Ry\n estimated scf accuracy < 0.00000600 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.24E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 2211.9 secs\n\n total energy = -1655.76952960 Ry\n estimated scf accuracy < 0.00000311 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.16E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 2216.5 secs\n\n total energy = -1655.76952985 Ry\n estimated scf accuracy < 0.00000267 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.97E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 2220.8 secs\n\n total energy = -1655.76952942 Ry\n estimated scf accuracy < 0.00000214 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.99E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 2225.4 secs\n\n total energy = -1655.76952964 Ry\n estimated scf accuracy < 0.00000056 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.09E-10, avg # of iterations = 13.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 2230.8 secs\n\n total energy = -1655.76953021 Ry\n estimated scf accuracy < 0.00000027 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.95E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 2235.6 secs\n\n total energy = -1655.76953027 Ry\n estimated scf accuracy < 0.00000030 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.95E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 2240.0 secs\n\n total energy = -1655.76953028 Ry\n estimated scf accuracy < 0.00000018 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.75E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2244.3 secs\n\n total energy = -1655.76953029 Ry\n estimated scf accuracy < 0.00000007 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.63E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 2249.4 secs\n\n total energy = -1655.76953035 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.63E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 2253.8 secs\n\n total energy = -1655.76953035 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.96E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 2258.3 secs\n\n total energy = -1655.76953036 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.69E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2262.7 secs\n\n total energy = -1655.76953036 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.51E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2267.0 secs\n\n total energy = -1655.76953036 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.05E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2271.3 secs\n\n total energy = -1655.76953036 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.05E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2275.7 secs\n\n total energy = -1655.76953036 Ry\n estimated scf accuracy < 2.8E-09 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-12, avg # of iterations = 19.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2282.1 secs\n\n total energy = -1655.76953037 Ry\n estimated scf accuracy < 2.7E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-12, avg # of iterations = 1.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2286.4 secs\n\n total energy = -1655.76953036 Ry\n estimated scf accuracy < 1.9E-09 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.19E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2290.9 secs\n\n total energy = -1655.76953036 Ry\n estimated scf accuracy < 2.1E-09 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.19E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2294.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8561 -32.8488 -32.8139 -32.7900 -32.6588 -32.6264 -32.1708 -32.1034\n -32.0800 -31.9770 -30.6789 -29.6557 -29.2327 -29.0357 -29.0136 -28.9083\n -28.8929 -28.8872 -28.8570 -28.6088 -28.4302 -28.3477 -28.1962 -28.1075\n -27.4500 -26.8260 -25.5349 -24.7968 -24.3649 -24.0209 -22.8345 -21.9575\n -20.6988 -19.2352 -18.6814 -18.1723 -17.9725 -17.5266 -17.3573 -17.3109\n -17.1037 -16.9724 -16.6044 -16.5517 -16.5457 -16.5194 -16.4258 -16.3808\n -15.7509 -15.7147 -15.5185 -15.3595 -15.1806 -15.0930 -15.0495 -14.8793\n -14.7664 -14.7155 -14.6877 -14.6310 -14.5127 -14.4874 -14.4445 -14.4389\n -14.3163 -14.2901 -14.2847 -14.2407 -14.2135 -14.1995 -14.1161 -13.9800\n -13.9655 -13.9457 -13.9183 -13.8840 -13.8400 -13.7833 -13.7341 -13.6892\n -13.6367 -13.5978 -13.2230 -13.0691 -12.7111 -12.4370 -12.1313 -12.0452\n -11.7842 -11.4781 -11.4118 -11.3309 -10.9391 -10.7698 -10.4437 -10.0165\n -9.9308 -9.7957 -9.7847 -9.6723 -9.6577 -9.6257 -9.6079 -9.5697\n -9.5297 -9.3839 -9.3645 -9.3493 -9.3440 -9.2300 -9.1805 -9.1212\n -9.0427 -9.0098 -8.9654 -8.8916 -8.8224 -8.8004 -8.6647 -8.5950\n -8.5108 -8.2905 -8.1113 -8.0793 -7.7294 -7.5964 -7.3143 -7.1991\n -6.9785 -6.8635 -6.4198 -6.3482 -6.2954 -6.0867 -6.0755 -5.8668\n -5.5428 -4.9016 -4.7648 -4.7529 -4.3966 -4.2242 -4.1498 -4.0670\n -4.0439 -3.9053 -3.8364 -3.7048 -3.6652 -3.6583 -3.5840 -3.5090\n -3.4022 -3.1838 -3.0672 -2.8171 -2.3707 -2.2681 -0.7395 -0.4038\n -0.1590\n\n the Fermi energy is -6.0811 ev\n\n! total energy = -1655.76953036 Ry\n total all-electron energy = -6224.601878 Ry\n estimated scf accuracy < 2.4E-10 Ry\n smearing contrib. (-TS) = -0.00560468 Ry\n internal energy E=F+TS = -1655.76392568 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18349.16714675 Ry\n hartree contribution = 9207.53041809 Ry\n xc contribution = -312.78652495 Ry\n ewald contribution = 8226.63275931 Ry\n DFT-D3 Dispersion = -0.16385421 Ry\n one-center paw contrib. = -427.80957718 Ry\n\n convergence has been achieved in 32 iterations\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00277943 -0.00157262 -0.00153902\n atom 2 type 1 force = 0.00180893 -0.00148950 0.00092967\n atom 3 type 2 force = -0.00024696 -0.00176645 -0.00327497\n atom 4 type 2 force = 0.00310650 -0.00021273 -0.00135438\n atom 5 type 1 force = -0.00020061 -0.00059382 0.00110208\n atom 6 type 1 force = -0.00171375 0.00020874 0.00124512\n atom 7 type 2 force = -0.00125027 -0.00140938 0.00062414\n atom 8 type 2 force = 0.00111857 0.00033810 0.00055962\n atom 9 type 1 force = 0.00329885 -0.00036039 -0.00149772\n atom 10 type 1 force = 0.00147646 -0.00070895 -0.00066348\n atom 11 type 2 force = 0.00025868 0.00053959 0.00115522\n atom 12 type 2 force = -0.00094323 0.00003778 0.00144512\n atom 13 type 1 force = -0.00270587 -0.00193979 -0.00151474\n atom 14 type 1 force = -0.00200173 0.00167082 0.00104817\n atom 15 type 1 force = -0.00152597 0.00258307 0.00418404\n atom 16 type 2 force = -0.00033670 -0.00192709 -0.00054066\n atom 17 type 2 force = 0.00343190 -0.00088544 -0.00403991\n atom 18 type 1 force = 0.00278747 -0.00202159 -0.00187127\n atom 19 type 1 force = -0.00299253 -0.00114362 0.00135533\n atom 20 type 2 force = 0.00085125 0.00020804 -0.00024269\n atom 21 type 2 force = 0.00061269 0.00243814 0.00097549\n atom 22 type 3 force = 0.00135636 -0.00003574 -0.00029075\n atom 23 type 1 force = -0.00213203 0.00206514 0.00118229\n atom 24 type 1 force = -0.00061224 -0.00047084 0.00014662\n atom 25 type 1 force = -0.00098627 0.00103709 -0.00166137\n atom 26 type 1 force = -0.00120450 0.00143901 -0.00044493\n atom 27 type 1 force = 0.00019164 -0.00148257 0.00205001\n atom 28 type 1 force = 0.00019498 0.00234564 -0.00177490\n atom 29 type 3 force = 0.00049139 -0.00007095 0.00039605\n atom 30 type 1 force = 0.00113867 0.00035908 -0.00012484\n atom 31 type 1 force = -0.00007413 -0.01131506 -0.00287086\n atom 32 type 2 force = -0.00272579 0.00454194 -0.00028246\n atom 33 type 2 force = -0.00058028 0.00419953 0.00026014\n atom 34 type 1 force = 0.00106120 0.00088160 -0.00232067\n atom 35 type 1 force = -0.00134310 -0.00127200 0.00056770\n atom 36 type 2 force = 0.00047332 -0.00317275 0.00201268\n atom 37 type 2 force = -0.00086186 0.00302949 0.00065675\n atom 38 type 1 force = 0.00094126 0.00542871 -0.00076770\n atom 39 type 1 force = 0.00136527 0.00272788 0.00073663\n atom 40 type 1 force = 0.00176156 0.00162211 0.00154203\n atom 41 type 2 force = 0.00013198 0.00004767 -0.00187303\n atom 42 type 2 force = -0.00144649 -0.00210864 -0.00087197\n atom 43 type 1 force = 0.00170438 -0.00368453 0.00255756\n atom 44 type 1 force = 0.00168669 -0.00135157 -0.00079977\n atom 45 type 2 force = 0.00076749 -0.00064258 -0.00119821\n atom 46 type 2 force = -0.00034793 0.00328414 0.00243811\n atom 47 type 1 force = -0.00162235 -0.00069836 -0.00101696\n atom 48 type 1 force = 0.00009045 -0.00033367 0.00181546\n atom 49 type 2 force = -0.00092173 0.00183138 0.00151376\n atom 50 type 2 force = -0.00055217 -0.00019405 0.00033748\n\n Total force = 0.023913 Total SCF correction = 0.000040\n Energy error = 5.7E-04 Ry\n Gradient error = 1.1E-02 Ry/Bohr\n\n number of scf cycles = 65\n number of bfgs steps = 64\n\n energy old = -1655.7689572139 Ry\n energy new = -1655.7695303644 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0879119496 bohr\n new conv_thr = 0.0000000006 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8310137850 9.7547327256 9.3048754160\nN 10.5759199996 9.9094682915 8.1637679542\nO 9.5961962706 9.2846560785 8.5416817357\nO 10.6760147416 10.8593766277 7.4193020236\nN 13.1551022497 8.4848426481 9.2140427986\nN 12.3607460592 7.0797968981 10.4959266101\nO 12.3028954635 7.4700565326 11.6367243569\nO 12.1173119609 6.0436888017 9.9408132225\nN 14.4196490525 8.0476375006 9.6531222963\nN 15.2200851578 8.4415350100 6.8073955043\nO 14.6990123032 9.4667225272 6.4150697255\nO 15.9049148237 7.6010414865 6.2659659873\nN 15.1283361960 8.8422708722 10.3440714323\nN 16.4361856590 8.5026727209 10.3259241392\nN 16.6392847108 6.5937107561 9.9849970549\nO 17.3787743144 6.3504819060 9.0748214718\nO 15.9925138529 5.9379920294 10.7591828463\nN 17.2436102050 9.1178668875 11.1774224214\nN 17.4720691756 8.2946815661 12.8451404297\nO 17.8819500695 7.1591676541 12.7655838664\nO 17.1188931174 8.9841392077 13.7658707471\nC 18.4732676885 9.4444576360 10.5846397071\nN 19.5438930042 8.5485001017 9.8837482987\nN 19.5465604323 9.5710542273 8.6813492825\nN 20.6262556781 10.3884696549 9.4203322188\nN 19.5598592997 11.2687492299 10.1030346359\nN 19.5353097402 10.2505209007 11.3091363144\nN 20.6156819782 9.4141007767 10.5886176988\nC 18.4905259279 10.4019274722 9.3931647644\nN 17.2974319703 10.8243412130 8.7742165547\nN 17.5120428975 11.3984652623 7.1234646980\nO 17.2520085608 12.5742217882 6.9803729615\nO 17.8173843984 10.5172278368 6.3623817146\nN 16.4921562216 11.5302690839 9.5546896922\nN 16.8851101445 13.4029756539 9.9609139340\nO 16.3032739733 14.1900043026 9.2655549319\nO 17.6697894605 13.4815410626 10.8633538844\nN 15.1706809327 11.2662975868 9.4708237027\nN 14.4636046691 12.1161574248 10.0980972761\nN 15.2379290017 11.6088290087 12.9286261654\nO 16.0654723729 12.3202508423 13.4552762405\nO 14.3762096610 10.8703933494 13.3507730501\nN 13.1486970367 11.7818771449 10.4476026246\nN 12.4586784754 13.2367752984 9.0618589121\nO 12.5591046528 12.9178265653 7.9015800055\nO 12.1239409244 14.2398091940 9.6345578337\nN 12.7611126498 10.5255635506 10.3542920860\nN 10.5828958051 10.5916534059 11.4250078189\nO 9.5892982626 10.8771317050 10.7736313154\nO 10.6940380553 10.2197482523 12.5680013699\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.776E-02 0.000E+00\n\n total cpu time spent up to now is 2304.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 33.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2318.8 secs\n\n total energy = -1655.76804417 Ry\n estimated scf accuracy < 0.02083440 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.77E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 2322.8 secs\n\n total energy = -1655.76572437 Ry\n estimated scf accuracy < 0.58883284 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.77E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 2327.0 secs\n\n total energy = -1655.76959249 Ry\n estimated scf accuracy < 0.00251029 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.37E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.850E-02 0.000E+00\n\n total cpu time spent up to now is 2331.3 secs\n\n total energy = -1655.76960551 Ry\n estimated scf accuracy < 0.00324523 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.37E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.856E-02 0.000E+00\n\n total cpu time spent up to now is 2335.6 secs\n\n total energy = -1655.76969720 Ry\n estimated scf accuracy < 0.00169168 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.31E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.853E-02 0.000E+00\n\n total cpu time spent up to now is 2339.9 secs\n\n total energy = -1655.76977334 Ry\n estimated scf accuracy < 0.00091901 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.43E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.849E-02 0.000E+00\n\n total cpu time spent up to now is 2344.3 secs\n\n total energy = -1655.76981772 Ry\n estimated scf accuracy < 0.00004077 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.52E-08, avg # of iterations = 19.0\n\n negative rho (up, down): 2.849E-02 0.000E+00\n\n total cpu time spent up to now is 2351.8 secs\n\n total energy = -1655.77003013 Ry\n estimated scf accuracy < 0.00042916 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.52E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.849E-02 0.000E+00\n\n total cpu time spent up to now is 2356.1 secs\n\n total energy = -1655.76999202 Ry\n estimated scf accuracy < 0.00049798 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.52E-08, avg # of iterations = 3.0\n\n negative rho (up, down): 2.849E-02 0.000E+00\n\n total cpu time spent up to now is 2360.6 secs\n\n total energy = -1655.76998567 Ry\n estimated scf accuracy < 0.00039406 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.52E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.848E-02 0.000E+00\n\n total cpu time spent up to now is 2365.1 secs\n\n total energy = -1655.76999251 Ry\n estimated scf accuracy < 0.00001051 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.92E-09, avg # of iterations = 13.0\n\n negative rho (up, down): 2.846E-02 0.000E+00\n\n total cpu time spent up to now is 2370.3 secs\n\n total energy = -1655.77000075 Ry\n estimated scf accuracy < 0.00001414 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.92E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.840E-02 0.000E+00\n\n total cpu time spent up to now is 2374.8 secs\n\n total energy = -1655.76999846 Ry\n estimated scf accuracy < 0.00001052 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.92E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 2379.1 secs\n\n total energy = -1655.76999877 Ry\n estimated scf accuracy < 0.00000315 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.17E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 2383.9 secs\n\n total energy = -1655.76999939 Ry\n estimated scf accuracy < 0.00000145 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.40E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 2388.8 secs\n\n total energy = -1655.76999984 Ry\n estimated scf accuracy < 0.00000118 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.42E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.823E-02 0.000E+00\n\n total cpu time spent up to now is 2393.4 secs\n\n total energy = -1655.77000007 Ry\n estimated scf accuracy < 0.00000056 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.08E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 2398.3 secs\n\n total energy = -1655.77000029 Ry\n estimated scf accuracy < 0.00000045 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.68E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 2402.7 secs\n\n total energy = -1655.77000034 Ry\n estimated scf accuracy < 0.00000043 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.59E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 2407.0 secs\n\n total energy = -1655.77000038 Ry\n estimated scf accuracy < 0.00000014 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.40E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 2411.9 secs\n\n total energy = -1655.77000044 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.02E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 2417.1 secs\n\n total energy = -1655.77000048 Ry\n estimated scf accuracy < 0.00000019 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.02E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 2421.4 secs\n\n total energy = -1655.77000049 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.15E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 2425.7 secs\n\n total energy = -1655.77000050 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.15E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 2430.0 secs\n\n total energy = -1655.77000051 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.26E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2434.4 secs\n\n total energy = -1655.77000052 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.44E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 2438.8 secs\n\n total energy = -1655.77000052 Ry\n estimated scf accuracy < 3.8E-09 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.43E-12, avg # of iterations = 15.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2444.5 secs\n\n total energy = -1655.77000053 Ry\n estimated scf accuracy < 2.0E-09 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.38E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2449.1 secs\n\n total energy = -1655.77000053 Ry\n estimated scf accuracy < 1.3E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.73E-13, avg # of iterations = 12.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2453.7 secs\n\n total energy = -1655.77000053 Ry\n estimated scf accuracy < 1.8E-09 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.73E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2458.4 secs\n\n total energy = -1655.77000053 Ry\n estimated scf accuracy < 2.3E-09 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.73E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 2462.9 secs\n\n total energy = -1655.77000053 Ry\n estimated scf accuracy < 7.1E-10 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.64E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 2466.5 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8815 -32.8562 -32.7942 -32.7906 -32.6625 -32.5325 -32.1949 -32.1090\n -32.0900 -31.9629 -30.7063 -29.6618 -29.2420 -29.0645 -29.0346 -28.9123\n -28.8835 -28.8665 -28.7559 -28.6127 -28.4694 -28.3561 -28.2002 -28.1047\n -27.4532 -26.8406 -25.5436 -24.8197 -24.3929 -24.0261 -22.8375 -21.9675\n -20.7082 -19.2306 -18.6997 -18.1810 -17.9973 -17.5232 -17.3522 -17.3354\n -17.1104 -16.9586 -16.6002 -16.5620 -16.5502 -16.5187 -16.4270 -16.3799\n -15.7630 -15.7300 -15.5283 -15.3675 -15.2003 -15.1013 -15.0597 -14.8859\n -14.7713 -14.7324 -14.6577 -14.6264 -14.5151 -14.4904 -14.4551 -14.3723\n -14.3224 -14.3114 -14.2942 -14.2346 -14.2005 -14.1531 -14.1100 -14.0035\n -13.9883 -13.9480 -13.9211 -13.8855 -13.8395 -13.7793 -13.7354 -13.6970\n -13.6353 -13.5964 -13.2308 -13.0686 -12.7107 -12.4341 -12.1438 -12.0485\n -11.7856 -11.4916 -11.4159 -11.3488 -10.9414 -10.7808 -10.4400 -10.0240\n -9.9335 -9.8067 -9.7893 -9.6832 -9.6521 -9.6206 -9.5881 -9.5556\n -9.5361 -9.4074 -9.3697 -9.3600 -9.3411 -9.2407 -9.1900 -9.1015\n -9.0378 -8.9974 -8.9517 -8.9042 -8.8383 -8.8049 -8.6647 -8.5932\n -8.5090 -8.2808 -8.1184 -8.0854 -7.7396 -7.6051 -7.3182 -7.2065\n -6.9767 -6.8735 -6.4223 -6.3533 -6.3065 -6.0832 -6.0716 -5.8729\n -5.5422 -4.8928 -4.7623 -4.7530 -4.3890 -4.2359 -4.1569 -4.0575\n -4.0557 -3.9018 -3.8266 -3.7019 -3.6728 -3.6629 -3.5923 -3.5098\n -3.4094 -3.1719 -3.0682 -2.8294 -2.3759 -2.2594 -0.7446 -0.4037\n -0.1570\n\n the Fermi energy is -6.0774 ev\n\n! total energy = -1655.77000056 Ry\n total all-electron energy = -6224.602348 Ry\n estimated scf accuracy < 4.9E-10 Ry\n smearing contrib. (-TS) = -0.00560156 Ry\n internal energy E=F+TS = -1655.76439900 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18359.90694398 Ry\n hartree contribution = 9212.87665012 Ry\n xc contribution = -312.79020863 Ry\n ewald contribution = 8232.02959507 Ry\n DFT-D3 Dispersion = -0.16417890 Ry\n one-center paw contrib. = -427.80931269 Ry\n\n convergence has been achieved in 33 iterations\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00259581 -0.00266485 -0.00073565\n atom 2 type 1 force = 0.00181978 0.00084224 -0.00069781\n atom 3 type 2 force = -0.00135315 -0.00098302 -0.00409598\n atom 4 type 2 force = 0.00292107 -0.00339133 0.00076373\n atom 5 type 1 force = 0.00057032 -0.00122971 0.00070192\n atom 6 type 1 force = -0.00300105 -0.00142043 -0.00022926\n atom 7 type 2 force = -0.00104728 -0.00012282 0.00253322\n atom 8 type 2 force = 0.00088726 0.00034789 0.00016175\n atom 9 type 1 force = 0.00217491 0.00067790 -0.00245065\n atom 10 type 1 force = 0.00051375 -0.00011788 0.00042777\n atom 11 type 2 force = 0.00056736 0.00037490 0.00083356\n atom 12 type 2 force = -0.00030150 -0.00047432 0.00059346\n atom 13 type 1 force = 0.00021531 0.00050181 0.00127044\n atom 14 type 1 force = -0.00110110 -0.00011175 -0.00007535\n atom 15 type 1 force = -0.00082708 0.00323118 0.00283640\n atom 16 type 2 force = 0.00075481 -0.00132446 -0.00148174\n atom 17 type 2 force = 0.00187054 -0.00216567 -0.00149326\n atom 18 type 1 force = 0.00012584 -0.00256157 -0.00164452\n atom 19 type 1 force = -0.00286027 0.00061514 0.00005773\n atom 20 type 2 force = -0.00011721 0.00103040 0.00083532\n atom 21 type 2 force = 0.00106831 0.00032810 0.00123915\n atom 22 type 3 force = -0.00029906 0.00038276 -0.00013082\n atom 23 type 1 force = -0.00180565 0.00053249 0.00243104\n atom 24 type 1 force = -0.00087557 0.00085715 -0.00058346\n atom 25 type 1 force = -0.00055787 0.00067053 -0.00141899\n atom 26 type 1 force = -0.00141903 0.00122145 0.00068804\n atom 27 type 1 force = -0.00015367 -0.00236955 0.00118704\n atom 28 type 1 force = 0.00036588 0.00254546 -0.00215651\n atom 29 type 3 force = -0.00148916 0.00036407 -0.00077497\n atom 30 type 1 force = 0.00127820 0.00111189 -0.00206791\n atom 31 type 1 force = -0.00323944 0.00596373 -0.00072607\n atom 32 type 2 force = 0.00003674 -0.00987255 0.00172531\n atom 33 type 2 force = 0.00093519 0.00008479 -0.00468034\n atom 34 type 1 force = 0.00050555 0.00084310 -0.00001066\n atom 35 type 1 force = -0.00276521 -0.00330609 -0.00133651\n atom 36 type 2 force = 0.00026678 -0.00101482 0.00194983\n atom 37 type 2 force = 0.00062948 0.00344016 0.00216327\n atom 38 type 1 force = 0.00135079 0.00541522 -0.00120559\n atom 39 type 1 force = 0.00140785 0.00279186 0.00120026\n atom 40 type 1 force = 0.00104527 0.00118709 -0.00096068\n atom 41 type 2 force = -0.00001659 -0.00013378 -0.00031442\n atom 42 type 2 force = -0.00063460 -0.00152903 0.00026440\n atom 43 type 1 force = 0.00081711 -0.00333182 0.00163543\n atom 44 type 1 force = -0.00046451 0.00390787 -0.00387460\n atom 45 type 2 force = 0.00113454 -0.00025245 0.00444775\n atom 46 type 2 force = 0.00155959 -0.00169322 0.00036321\n atom 47 type 1 force = -0.00156949 -0.00044710 -0.00095421\n atom 48 type 1 force = 0.00113635 -0.00091348 0.00064551\n atom 49 type 2 force = 0.00105945 0.00268677 0.00071129\n atom 50 type 2 force = 0.00147625 -0.00052428 0.00243313\n\n Total force = 0.023638 Total SCF correction = 0.000055\n Energy error = 4.7E-04 Ry\n Gradient error = 9.9E-03 Ry/Bohr\n\n number of scf cycles = 66\n number of bfgs steps = 65\n\n energy old = -1655.7695303644 Ry\n energy new = -1655.7700005608 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0275119167 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8285038734 9.7508554887 9.3032404222\nN 10.5757747861 9.9070872107 8.1643180727\nO 9.5960640443 9.2792158264 8.5389810263\nO 10.6768466552 10.8562818773 7.4206596393\nN 13.1539093499 8.4818267465 9.2123042064\nN 12.3648503489 7.0799389139 10.4976305159\nO 12.3049908261 7.4703232179 11.6383043873\nO 12.1308567070 6.0410267523 9.9446031489\nN 14.4225386281 8.0441895521 9.6476800288\nN 15.2257522717 8.4437087863 6.8124920085\nO 14.6999358130 9.4662636138 6.4195313613\nO 15.9020447958 7.5973872492 6.2694389816\nN 15.1287274643 8.8405789674 10.3384581582\nN 16.4367571896 8.5056119451 10.3249393518\nN 16.6416561324 6.5988808350 9.9821016481\nO 17.3809522603 6.3567645315 9.0700418687\nO 15.9989994972 5.9352305564 10.7540572975\nN 17.2453413947 9.1197015099 11.1756961303\nN 17.4723411960 8.2984049032 12.8475170955\nO 17.8868300912 7.1644375864 12.7675087420\nO 17.1225757272 8.9918542358 13.7675586124\nC 18.4745389198 9.4494390578 10.5852123984\nN 19.5443319739 8.5540218039 9.8891090727\nN 19.5450584460 9.5691731788 8.6812522598\nN 20.6246171414 10.3923723213 9.4143131049\nN 19.5582098444 11.2747187017 10.0958896828\nN 19.5358618971 10.2593419706 11.3081866829\nN 20.6166195500 9.4238417351 10.5866163201\nC 18.4899141794 10.4039119223 9.3909807555\nN 17.2965690284 10.8254720096 8.7719437675\nN 17.4996447159 11.3975675500 7.1221839151\nO 17.2380793208 12.5704320770 6.9784836483\nO 17.8158827286 10.5185612871 6.3622742051\nN 16.4910998786 11.5337781679 9.5505012752\nN 16.8805031429 13.3992684848 9.9635062387\nO 16.3011022404 14.1851996980 9.2637698141\nO 17.6613500960 13.4815218581 10.8700458155\nN 15.1706731851 11.2698196864 9.4716903246\nN 14.4643993722 12.1153242524 10.1044444488\nN 15.2396969905 11.6065653497 12.9262604695\nO 16.0672764293 12.3222720481 13.4486551951\nO 14.3772827125 10.8682326510 13.3495104953\nN 13.1500538178 11.7740282459 10.4550390479\nN 12.4571234973 13.2324452510 9.0637688840\nO 12.5584965669 12.9137619963 7.9050132285\nO 12.1253395660 14.2348338329 9.6373159065\nN 12.7615027060 10.5205794672 10.3549861265\nN 10.5813780878 10.5880029803 11.4269306916\nO 9.5882890758 10.8747765183 10.7753814635\nO 10.6915488807 10.2168438496 12.5704737909\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 2476.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 2486.3 secs\n\n total energy = -1655.76967883 Ry\n estimated scf accuracy < 0.00299694 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.12E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 2490.4 secs\n\n total energy = -1655.76886200 Ry\n estimated scf accuracy < 0.17791608 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.12E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.856E-02 0.000E+00\n\n total cpu time spent up to now is 2494.5 secs\n\n total energy = -1655.77007282 Ry\n estimated scf accuracy < 0.00043828 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.64E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.858E-02 0.000E+00\n\n total cpu time spent up to now is 2499.5 secs\n\n total energy = -1655.77036084 Ry\n estimated scf accuracy < 0.00034646 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.29E-07, avg # of iterations = 4.0\n\n negative rho (up, down): 2.859E-02 0.000E+00\n\n total cpu time spent up to now is 2503.8 secs\n\n total energy = -1655.77039479 Ry\n estimated scf accuracy < 0.00010933 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.08E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.860E-02 0.000E+00\n\n total cpu time spent up to now is 2508.6 secs\n\n total energy = -1655.77043726 Ry\n estimated scf accuracy < 0.00002653 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.90E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.854E-02 0.000E+00\n\n total cpu time spent up to now is 2513.7 secs\n\n total energy = -1655.77045737 Ry\n estimated scf accuracy < 0.00003125 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.90E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.845E-02 0.000E+00\n\n total cpu time spent up to now is 2518.0 secs\n\n total energy = -1655.77045784 Ry\n estimated scf accuracy < 0.00000831 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.10E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.839E-02 0.000E+00\n\n total cpu time spent up to now is 2522.6 secs\n\n total energy = -1655.77045951 Ry\n estimated scf accuracy < 0.00000304 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.13E-09, avg # of iterations = 15.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 2528.0 secs\n\n total energy = -1655.77046202 Ry\n estimated scf accuracy < 0.00000408 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.13E-09, avg # of iterations = 4.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 2532.4 secs\n\n total energy = -1655.77046241 Ry\n estimated scf accuracy < 0.00000112 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.17E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 2537.1 secs\n\n total energy = -1655.77046274 Ry\n estimated scf accuracy < 0.00000077 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.88E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 2541.6 secs\n\n total energy = -1655.77046291 Ry\n estimated scf accuracy < 0.00000022 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.12E-11, avg # of iterations = 15.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 2547.2 secs\n\n total energy = -1655.77046317 Ry\n estimated scf accuracy < 0.00000011 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.28E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 2551.8 secs\n\n total energy = -1655.77046323 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.81E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 2556.8 secs\n\n total energy = -1655.77046329 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.79E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 2561.2 secs\n\n total energy = -1655.77046331 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.71E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 2565.5 secs\n\n total energy = -1655.77046332 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.55E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 2569.8 secs\n\n total energy = -1655.77046333 Ry\n estimated scf accuracy < 7.7E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.89E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 2575.3 secs\n\n total energy = -1655.77046333 Ry\n estimated scf accuracy < 6.9E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.59E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 2579.6 secs\n\n total energy = -1655.77046334 Ry\n estimated scf accuracy < 2.0E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.46E-13, avg # of iterations = 14.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 2585.3 secs\n\n total energy = -1655.77046334 Ry\n estimated scf accuracy < 4.1E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.46E-13, avg # of iterations = 5.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2589.7 secs\n\n total energy = -1655.77046335 Ry\n estimated scf accuracy < 5.9E-10 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-13, avg # of iterations = 12.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2594.7 secs\n\n total energy = -1655.77046335 Ry\n estimated scf accuracy < 5.4E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.00E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 2598.3 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8724 -32.8267 -32.8173 -32.7834 -32.6643 -32.5583 -32.1785 -32.1081\n -32.0836 -31.9688 -30.7148 -29.6629 -29.2499 -29.0483 -28.9875 -28.9204\n -28.8907 -28.8813 -28.7807 -28.6175 -28.4675 -28.3594 -28.1947 -28.1091\n -27.4552 -26.8489 -25.5569 -24.8218 -24.4074 -24.0306 -22.8367 -21.9867\n -20.7187 -19.2292 -18.7136 -18.1942 -18.0138 -17.5301 -17.3637 -17.3385\n -17.1170 -16.9521 -16.6016 -16.5688 -16.5497 -16.5192 -16.4268 -16.3824\n -15.7763 -15.7353 -15.5227 -15.3707 -15.2037 -15.1099 -15.0628 -14.8927\n -14.7710 -14.7360 -14.6533 -14.6155 -14.5295 -14.4910 -14.4614 -14.3874\n -14.3242 -14.3103 -14.2749 -14.2307 -14.2070 -14.1573 -14.1068 -14.0071\n -13.9827 -13.9494 -13.9220 -13.8801 -13.8351 -13.7820 -13.7344 -13.6971\n -13.6371 -13.5970 -13.2247 -13.0655 -12.7183 -12.4326 -12.1482 -12.0525\n -11.7903 -11.4998 -11.4233 -11.3548 -10.9443 -10.7837 -10.4429 -10.0299\n -9.9314 -9.8122 -9.7873 -9.6888 -9.6561 -9.6170 -9.5918 -9.5607\n -9.5269 -9.4119 -9.3722 -9.3643 -9.3394 -9.2463 -9.1873 -9.0989\n -9.0279 -8.9963 -8.9532 -8.9110 -8.8409 -8.8072 -8.6625 -8.5907\n -8.5105 -8.2685 -8.1254 -8.0869 -7.7455 -7.6096 -7.3236 -7.2170\n -6.9824 -6.8803 -6.4217 -6.3562 -6.3079 -6.0795 -6.0678 -5.8689\n -5.5406 -4.8889 -4.7576 -4.7466 -4.3787 -4.2528 -4.1628 -4.0669\n -4.0500 -3.8954 -3.8139 -3.6988 -3.6834 -3.6634 -3.6035 -3.5097\n -3.4136 -3.1749 -3.0725 -2.8350 -2.3811 -2.2606 -0.7667 -0.4037\n -0.1581\n\n the Fermi energy is -6.0736 ev\n\n! total energy = -1655.77046337 Ry\n total all-electron energy = -6224.602811 Ry\n estimated scf accuracy < 2.6E-10 Ry\n smearing contrib. (-TS) = -0.00560066 Ry\n internal energy E=F+TS = -1655.76486272 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18364.39814627 Ry\n hartree contribution = 9215.10254769 Ry\n xc contribution = -312.79271512 Ry\n ewald contribution = 8234.29638046 Ry\n DFT-D3 Dispersion = -0.16427530 Ry\n one-center paw contrib. = -427.80865418 Ry\n\n convergence has been achieved in 25 iterations\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00175481 -0.00270055 0.00033820\n atom 2 type 1 force = 0.00086187 -0.00161667 0.00067832\n atom 3 type 2 force = -0.00094838 -0.00006670 -0.00423957\n atom 4 type 2 force = 0.00231189 -0.00173759 -0.00041509\n atom 5 type 1 force = 0.00097781 -0.00188942 -0.00001003\n atom 6 type 1 force = -0.00236583 -0.00112293 0.00019381\n atom 7 type 2 force = -0.00110323 0.00039659 0.00255252\n atom 8 type 2 force = 0.00019086 -0.00073909 -0.00048506\n atom 9 type 1 force = 0.00092971 0.00196344 -0.00202681\n atom 10 type 1 force = 0.00049832 -0.00047777 0.00092986\n atom 11 type 2 force = 0.00079652 0.00021453 0.00045987\n atom 12 type 2 force = -0.00052609 -0.00000404 0.00034533\n atom 13 type 1 force = 0.00053095 0.00167226 0.00252066\n atom 14 type 1 force = 0.00034495 -0.00128042 -0.00058893\n atom 15 type 1 force = 0.00056003 -0.00016814 0.00107491\n atom 16 type 2 force = -0.00007262 0.00006671 -0.00030472\n atom 17 type 2 force = 0.00187489 -0.00009996 -0.00129989\n atom 18 type 1 force = -0.00267925 -0.00211398 -0.00047019\n atom 19 type 1 force = -0.00198268 0.00179381 0.00034918\n atom 20 type 2 force = -0.00119998 0.00208787 0.00192309\n atom 21 type 2 force = 0.00156243 -0.00197108 -0.00047576\n atom 22 type 3 force = -0.00079782 0.00086316 -0.00064513\n atom 23 type 1 force = -0.00095511 -0.00036567 0.00149701\n atom 24 type 1 force = -0.00076510 0.00183008 -0.00098216\n atom 25 type 1 force = -0.00009792 0.00056830 -0.00032852\n atom 26 type 1 force = -0.00101897 0.00046425 0.00109218\n atom 27 type 1 force = -0.00057184 -0.00116850 -0.00049869\n atom 28 type 1 force = -0.00041253 0.00146908 -0.00121021\n atom 29 type 3 force = -0.00168803 0.00014471 -0.00115426\n atom 30 type 1 force = -0.00078633 0.00223143 -0.00241788\n atom 31 type 1 force = 0.00169646 0.00069444 -0.00065475\n atom 32 type 2 force = -0.00241453 -0.00454503 0.00133224\n atom 33 type 2 force = -0.00000438 -0.00032037 -0.00452684\n atom 34 type 1 force = 0.00145080 -0.00009707 0.00127973\n atom 35 type 1 force = -0.00176965 -0.00125355 -0.00133514\n atom 36 type 2 force = 0.00102763 -0.00162950 0.00317299\n atom 37 type 2 force = -0.00095569 0.00273541 0.00046073\n atom 38 type 1 force = 0.00155425 0.00361846 -0.00169532\n atom 39 type 1 force = 0.00034404 0.00232665 0.00162119\n atom 40 type 1 force = 0.00086572 0.00108217 -0.00090318\n atom 41 type 2 force = -0.00224843 -0.00205147 -0.00034389\n atom 42 type 2 force = 0.00175448 0.00047226 0.00039845\n atom 43 type 1 force = -0.00021434 -0.00184901 0.00063756\n atom 44 type 1 force = 0.00047654 0.00213418 -0.00049358\n atom 45 type 2 force = 0.00139897 -0.00129311 0.00046699\n atom 46 type 2 force = 0.00047582 0.00122938 0.00154741\n atom 47 type 1 force = -0.00070891 -0.00059830 -0.00092515\n atom 48 type 1 force = 0.00182342 -0.00105184 0.00103497\n atom 49 type 2 force = 0.00133791 0.00257102 0.00049343\n atom 50 type 2 force = 0.00239619 -0.00041843 0.00203010\n\n Total force = 0.018201 Total SCF correction = 0.000042\n Energy error = 4.6E-04 Ry\n Gradient error = 4.5E-03 Ry/Bohr\n\n number of scf cycles = 67\n number of bfgs steps = 66\n\n energy old = -1655.7700005608 Ry\n energy new = -1655.7704633745 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0388384631 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8241975913 9.7438661950 9.3011883229\nN 10.5755946544 9.9021725215 8.1651059092\nO 9.5947221535 9.2724603070 8.5327156235\nO 10.6781363400 10.8519909636 7.4229748431\nN 13.1533097346 8.4763246201 9.2108238529\nN 12.3678898935 7.0792109665 10.5008211553\nO 12.3064246371 7.4702021304 11.6425078592\nO 12.1442990577 6.0373033661 9.9483489911\nN 14.4259949793 8.0414988551 9.6421053825\nN 15.2323766277 8.4446009686 6.8172755732\nO 14.7012459781 9.4647108156 6.4238764190\nO 15.8996250072 7.5927676156 6.2721357773\nN 15.1289695473 8.8397178372 10.3355688422\nN 16.4375779215 8.5083836895 10.3241100491\nN 16.6476291419 6.6056665332 9.9789019253\nO 17.3843564320 6.3633932896 9.0639553122\nO 16.0090490353 5.9340273021 10.7470000110\nN 17.2454648446 9.1206587813 11.1734963976\nN 17.4722305188 8.3029066715 12.8498501295\nO 17.8916970508 7.1717057047 12.7705093294\nO 17.1290121960 8.9993580420 13.7693896267\nC 18.4756862927 9.4558519310 10.5849694066\nN 19.5442260651 8.5611385604 9.8949536797\nN 19.5426653176 9.5698505829 8.6801377186\nN 20.6223032940 10.3991180217 9.4075242282\nN 19.5542793521 11.2824948994 10.0886467836\nN 19.5354270891 10.2692248115 11.3064928011\nN 20.6171980189 9.4369618359 10.5832718877\nC 18.4882258339 10.4062811233 9.3876319303\nN 17.2955048529 10.8272600882 8.7675725151\nN 17.4883503509 11.3944031927 7.1195586230\nO 17.2181794115 12.5655675913 6.9768305446\nO 17.8155163278 10.5202242545 6.3580875662\nN 16.4917474625 11.5369529193 9.5472273770\nN 16.8758148444 13.3934694038 9.9676835056\nO 16.2974060671 14.1773947861 9.2653642429\nO 17.6516932917 13.4845130928 10.8779074162\nN 15.1728338946 11.2763910546 9.4704795055\nN 14.4659710089 12.1158096966 10.1112398012\nN 15.2424857028 11.6047772767 12.9245224670\nO 16.0684654600 12.3231732798 13.4420610762\nO 14.3800627260 10.8681121090 13.3489884639\nN 13.1522285567 11.7632219992 10.4634322087\nN 12.4554924475 13.2290849221 9.0657990334\nO 12.5566261847 12.9078927291 7.9081662832\nO 12.1240720463 14.2309710694 9.6407906385\nN 12.7619266551 10.5140982999 10.3546701046\nN 10.5805697797 10.5838200618 11.4306745973\nO 9.5873499432 10.8721013981 10.7784884395\nO 10.6905814232 10.2125900914 12.5749675553\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2608.5 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 1 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 2618.8 secs\n\n total energy = -1655.76996270 Ry\n estimated scf accuracy < 0.00586332 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 2622.9 secs\n\n total energy = -1655.76837725 Ry\n estimated scf accuracy < 0.31699872 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.845E-02 0.000E+00\n\n total cpu time spent up to now is 2627.1 secs\n\n total energy = -1655.77056640 Ry\n estimated scf accuracy < 0.00078129 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.92E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.851E-02 0.000E+00\n\n total cpu time spent up to now is 2631.4 secs\n\n total energy = -1655.77067526 Ry\n estimated scf accuracy < 0.00047771 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.78E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.859E-02 0.000E+00\n\n total cpu time spent up to now is 2635.9 secs\n\n total energy = -1655.77075621 Ry\n estimated scf accuracy < 0.00030654 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.14E-07, avg # of iterations = 11.0\n\n negative rho (up, down): 2.858E-02 0.000E+00\n\n total cpu time spent up to now is 2640.7 secs\n\n total energy = -1655.77087609 Ry\n estimated scf accuracy < 0.00004010 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.50E-08, avg # of iterations = 13.0\n\n negative rho (up, down): 2.858E-02 0.000E+00\n\n total cpu time spent up to now is 2646.6 secs\n\n total energy = -1655.77096531 Ry\n estimated scf accuracy < 0.00004881 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.50E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.856E-02 0.000E+00\n\n total cpu time spent up to now is 2650.9 secs\n\n total energy = -1655.77096429 Ry\n estimated scf accuracy < 0.00006220 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.50E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.850E-02 0.000E+00\n\n total cpu time spent up to now is 2655.2 secs\n\n total energy = -1655.77095561 Ry\n estimated scf accuracy < 0.00006124 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.50E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.848E-02 0.000E+00\n\n total cpu time spent up to now is 2659.5 secs\n\n total energy = -1655.77095588 Ry\n estimated scf accuracy < 0.00001938 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.23E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.847E-02 0.000E+00\n\n total cpu time spent up to now is 2664.0 secs\n\n total energy = -1655.77095599 Ry\n estimated scf accuracy < 0.00001580 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.89E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.848E-02 0.000E+00\n\n total cpu time spent up to now is 2668.3 secs\n\n total energy = -1655.77095701 Ry\n estimated scf accuracy < 0.00000317 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.18E-09, avg # of iterations = 13.0\n\n negative rho (up, down): 2.847E-02 0.000E+00\n\n total cpu time spent up to now is 2673.8 secs\n\n total energy = -1655.77096036 Ry\n estimated scf accuracy < 0.00000224 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.34E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.843E-02 0.000E+00\n\n total cpu time spent up to now is 2678.1 secs\n\n total energy = -1655.77096035 Ry\n estimated scf accuracy < 0.00000159 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.94E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.839E-02 0.000E+00\n\n total cpu time spent up to now is 2682.6 secs\n\n total energy = -1655.77096062 Ry\n estimated scf accuracy < 0.00000089 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.31E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 2687.7 secs\n\n total energy = -1655.77096127 Ry\n estimated scf accuracy < 0.00000039 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 2692.5 secs\n\n total energy = -1655.77096147 Ry\n estimated scf accuracy < 0.00000022 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.32E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 2697.2 secs\n\n total energy = -1655.77096156 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.43E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 2701.7 secs\n\n total energy = -1655.77096163 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.96E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 2706.3 secs\n\n total energy = -1655.77096164 Ry\n estimated scf accuracy < 0.00000014 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.96E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 2710.8 secs\n\n total energy = -1655.77096171 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.96E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 2715.1 secs\n\n total energy = -1655.77096174 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.31E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 2719.8 secs\n\n total energy = -1655.77096176 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.97E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 2724.5 secs\n\n total energy = -1655.77096176 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.83E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 2729.2 secs\n\n total energy = -1655.77096177 Ry\n estimated scf accuracy < 4.9E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.81E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 2733.9 secs\n\n total energy = -1655.77096178 Ry\n estimated scf accuracy < 2.0E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.51E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 2738.7 secs\n\n total energy = -1655.77096179 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.37E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 2743.3 secs\n\n total energy = -1655.77096180 Ry\n estimated scf accuracy < 6.9E-10 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.57E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 2747.6 secs\n\n total energy = -1655.77096181 Ry\n estimated scf accuracy < 5.0E-10 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.86E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2751.2 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8760 -32.8343 -32.8212 -32.7824 -32.6442 -32.5567 -32.2142 -32.1049\n -32.0629 -31.9724 -30.7259 -29.6614 -29.2586 -29.0332 -28.9592 -28.9337\n -28.8899 -28.8669 -28.7899 -28.6272 -28.5042 -28.3596 -28.1803 -28.1057\n -27.4645 -26.8556 -25.5733 -24.8226 -24.4239 -24.0378 -22.8407 -22.0075\n -20.7275 -19.2292 -18.7329 -18.2097 -18.0405 -17.5371 -17.3855 -17.3395\n -17.1250 -16.9465 -16.6065 -16.5753 -16.5494 -16.5199 -16.4256 -16.3857\n -15.7896 -15.7419 -15.5200 -15.3752 -15.2036 -15.1193 -15.0724 -14.9041\n -14.7697 -14.7408 -14.6438 -14.6068 -14.5409 -14.4887 -14.4648 -14.3877\n -14.3333 -14.3044 -14.2517 -14.2265 -14.2078 -14.1593 -14.0981 -14.0238\n -14.0081 -13.9493 -13.9210 -13.8703 -13.8297 -13.7801 -13.7471 -13.7019\n -13.6367 -13.5959 -13.2137 -13.0613 -12.7275 -12.4339 -12.1552 -12.0552\n -11.7963 -11.5068 -11.4339 -11.3571 -10.9525 -10.7868 -10.4501 -10.0397\n -9.9297 -9.8199 -9.7879 -9.6966 -9.6542 -9.6135 -9.5920 -9.5636\n -9.5174 -9.4281 -9.3748 -9.3670 -9.3332 -9.2454 -9.1852 -9.0982\n -9.0181 -8.9901 -8.9539 -8.9212 -8.8402 -8.8075 -8.6640 -8.5881\n -8.5068 -8.2540 -8.1363 -8.0901 -7.7491 -7.6165 -7.3355 -7.2300\n -6.9939 -6.8898 -6.4234 -6.3654 -6.3079 -6.0769 -6.0650 -5.8664\n -5.5448 -4.8918 -4.7505 -4.7420 -4.3736 -4.2587 -4.1723 -4.0674\n -4.0360 -3.8993 -3.8102 -3.6978 -3.6841 -3.6638 -3.6211 -3.5101\n -3.4152 -3.1817 -3.0829 -2.8416 -2.3890 -2.2643 -0.8040 -0.4033\n -0.1581\n\n the Fermi energy is -6.0710 ev\n\n! total energy = -1655.77096184 Ry\n total all-electron energy = -6224.603310 Ry\n estimated scf accuracy < 3.1E-10 Ry\n smearing contrib. (-TS) = -0.00559926 Ry\n internal energy E=F+TS = -1655.76536258 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18368.42632904 Ry\n hartree contribution = 9217.08908218 Ry\n xc contribution = -312.79708430 Ry\n ewald contribution = 8236.34142710 Ry\n DFT-D3 Dispersion = -0.16433475 Ry\n one-center paw contrib. = -427.80812377 Ry\n\n convergence has been achieved in 30 iterations\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00094034 -0.00202681 0.00163235\n atom 2 type 1 force = 0.00021028 -0.00186031 0.00018792\n atom 3 type 2 force = -0.00170008 -0.00060169 -0.00308921\n atom 4 type 2 force = 0.00193128 -0.00078153 -0.00089535\n atom 5 type 1 force = 0.00132976 -0.00186546 -0.00051861\n atom 6 type 1 force = -0.00169475 -0.00152993 0.00184184\n atom 7 type 2 force = -0.00119281 -0.00068640 -0.00075355\n atom 8 type 2 force = -0.00030238 0.00017427 0.00082403\n atom 9 type 1 force = 0.00059162 0.00352904 -0.00042618\n atom 10 type 1 force = -0.00007039 0.00015012 0.00129270\n atom 11 type 2 force = 0.00132314 -0.00057386 0.00039267\n atom 12 type 2 force = -0.00049616 0.00011284 -0.00004335\n atom 13 type 1 force = -0.00048327 0.00094184 0.00156408\n atom 14 type 1 force = 0.00051948 -0.00232561 -0.00171045\n atom 15 type 1 force = 0.00152738 -0.00313798 -0.00158206\n atom 16 type 2 force = 0.00053839 0.00208152 -0.00042514\n atom 17 type 2 force = 0.00028350 0.00075398 0.00115171\n atom 18 type 1 force = -0.00174312 0.00021897 0.00131762\n atom 19 type 1 force = -0.00068551 0.00306374 -0.00099275\n atom 20 type 2 force = -0.00106431 -0.00023224 0.00195885\n atom 21 type 2 force = 0.00051512 -0.00110642 0.00042557\n atom 22 type 3 force = -0.00310656 0.00043341 -0.00025713\n atom 23 type 1 force = 0.00061506 -0.00081213 -0.00064393\n atom 24 type 1 force = 0.00010882 0.00174601 -0.00123577\n atom 25 type 1 force = 0.00041413 0.00043516 0.00080080\n atom 26 type 1 force = 0.00032547 -0.00006093 0.00115647\n atom 27 type 1 force = -0.00079409 0.00068818 -0.00209430\n atom 28 type 1 force = -0.00028121 -0.00047998 0.00034441\n atom 29 type 3 force = -0.00149454 0.00041087 -0.00097617\n atom 30 type 1 force = -0.00165713 0.00204374 -0.00229298\n atom 31 type 1 force = 0.00386629 0.00200825 -0.00148496\n atom 32 type 2 force = -0.00304693 -0.00493100 0.00104422\n atom 33 type 2 force = -0.00085708 -0.00036745 -0.00320469\n atom 34 type 1 force = 0.00213045 -0.00029997 0.00191011\n atom 35 type 1 force = -0.00035408 0.00128928 -0.00105710\n atom 36 type 2 force = -0.00028197 -0.00078882 0.00177706\n atom 37 type 2 force = -0.00070413 0.00063144 0.00088583\n atom 38 type 1 force = -0.00092550 0.00179740 -0.00098874\n atom 39 type 1 force = 0.00008032 0.00004005 0.00143600\n atom 40 type 1 force = -0.00054233 -0.00009037 -0.00344492\n atom 41 type 2 force = 0.00006643 -0.00003986 0.00151206\n atom 42 type 2 force = 0.00080863 -0.00039814 0.00122313\n atom 43 type 1 force = -0.00093742 0.00039198 -0.00073766\n atom 44 type 1 force = 0.00080203 0.00125777 0.00218494\n atom 45 type 2 force = 0.00126322 -0.00064418 -0.00045902\n atom 46 type 2 force = 0.00046162 0.00146443 0.00043681\n atom 47 type 1 force = 0.00070463 -0.00084824 -0.00113824\n atom 48 type 1 force = 0.00099132 -0.00124176 0.00142212\n atom 49 type 2 force = 0.00207204 0.00177520 0.00172085\n atom 50 type 2 force = 0.00187564 0.00029160 0.00000809\n\n Total force = 0.017366 Total SCF correction = 0.000047\n Energy error = 5.0E-04 Ry\n Gradient error = 4.9E-03 Ry/Bohr\n\n number of scf cycles = 68\n number of bfgs steps = 67\n\n energy old = -1655.7704633745 Ry\n energy new = -1655.7709618398 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0551116334 bohr\n new conv_thr = 0.0000000005 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8227233828 9.7355633233 9.3013385964\nN 10.5750473141 9.8942497306 8.1682106050\nO 9.5912466647 9.2619336191 8.5256619845\nO 10.6812240668 10.8468400652 7.4293557821\nN 13.1543325289 8.4687015105 9.2091237490\nN 12.3710821640 7.0755392498 10.5067278818\nO 12.3068431329 7.4685582974 11.6469983315\nO 12.1585661391 6.0316634245 9.9548962668\nN 14.4304288513 8.0395215038 9.6375332312\nN 15.2404992225 8.4437961811 6.8212113798\nO 14.7043730924 9.4608194091 6.4261700459\nO 15.8989819329 7.5868363336 6.2728511933\nN 15.1290103694 8.8395541992 10.3320133919\nN 16.4392564584 8.5107172290 10.3218936922\nN 16.6574866207 6.6102347990 9.9733831066\nO 17.3919572076 6.3722245916 9.0546204639\nO 16.0228784934 5.9328127055 10.7389614104\nN 17.2443332482 9.1254699076 11.1717954011\nN 17.4747249776 8.3110718280 12.8517992399\nO 17.8983449451 7.1804492427 12.7726854024\nO 17.1380873780 9.0073237414 13.7744613974\nC 18.4739183642 9.4655574924 10.5839066063\nN 19.5434618662 8.5690961639 9.9004584616\nN 19.5404826958 9.5715975519 8.6774073700\nN 20.6206507650 10.4056605360 9.4003531399\nN 19.5514944636 11.2917649233 10.0787985069\nN 19.5340021689 10.2834992933 11.3019205816\nN 20.6169703227 9.4506101609 10.5808421489\nC 18.4854974286 10.4107313180 9.3821757847\nN 17.2931360883 10.8326759590 8.7610889362\nN 17.4771322128 11.3925198220 7.1149398201\nO 17.1897188423 12.5599940206 6.9737548767\nO 17.8162390050 10.5222549733 6.3535444587\nN 16.4915585479 11.5414117691 9.5442033749\nN 16.8695168634 13.3897930954 9.9721209966\nO 16.2929493451 14.1737636278 9.2682358502\nO 17.6404766936 13.4853290191 10.8875583003\nN 15.1713133440 11.2834212821 9.4689962053\nN 14.4652243458 12.1161120387 10.1169620450\nN 15.2463732527 11.6039304967 12.9220227917\nO 16.0727233293 12.3249756568 13.4373962562\nO 14.3834789476 10.8689422223 13.3526419277\nN 13.1517285583 11.7525117029 10.4717138491\nN 12.4505515020 13.2237632225 9.0682698854\nO 12.5522496447 12.9005673782 7.9113208556\nO 12.1208378739 14.2251107901 9.6450237413\nN 12.7639224253 10.5041315474 10.3561416004\nN 10.5791408002 10.5774696836 11.4351254307\nO 9.5868196800 10.8674007963 10.7825902368\nO 10.6896954757 10.2072008233 12.5795951411\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 2761.2 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 27.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 2773.1 secs\n\n total energy = -1655.77070874 Ry\n estimated scf accuracy < 0.00386950 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 2777.2 secs\n\n total energy = -1655.76964566 Ry\n estimated scf accuracy < 0.20148886 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 2781.2 secs\n\n total energy = -1655.77103154 Ry\n estimated scf accuracy < 0.00117388 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.38E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 2785.4 secs\n\n total energy = -1655.77107019 Ry\n estimated scf accuracy < 0.00063433 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.37E-07, avg # of iterations = 8.0\n\n negative rho (up, down): 2.838E-02 0.000E+00\n\n total cpu time spent up to now is 2789.8 secs\n\n total energy = -1655.77115576 Ry\n estimated scf accuracy < 0.00018249 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.81E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 2794.9 secs\n\n total energy = -1655.77130202 Ry\n estimated scf accuracy < 0.00002961 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-08, avg # of iterations = 14.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 2800.8 secs\n\n total energy = -1655.77136085 Ry\n estimated scf accuracy < 0.00004367 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.838E-02 0.000E+00\n\n total cpu time spent up to now is 2805.1 secs\n\n total energy = -1655.77135538 Ry\n estimated scf accuracy < 0.00004387 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.838E-02 0.000E+00\n\n total cpu time spent up to now is 2809.4 secs\n\n total energy = -1655.77135328 Ry\n estimated scf accuracy < 0.00001635 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.10E-09, avg # of iterations = 3.0\n\n negative rho (up, down): 2.838E-02 0.000E+00\n\n total cpu time spent up to now is 2813.8 secs\n\n total energy = -1655.77135438 Ry\n estimated scf accuracy < 0.00000797 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.97E-09, avg # of iterations = 11.0\n\n negative rho (up, down): 2.836E-02 0.000E+00\n\n total cpu time spent up to now is 2818.5 secs\n\n total energy = -1655.77135694 Ry\n estimated scf accuracy < 0.00000465 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.74E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 2823.3 secs\n\n total energy = -1655.77135919 Ry\n estimated scf accuracy < 0.00000232 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.66E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.831E-02 0.000E+00\n\n total cpu time spent up to now is 2827.9 secs\n\n total energy = -1655.77135986 Ry\n estimated scf accuracy < 0.00000693 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.66E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 2832.4 secs\n\n total energy = -1655.77135997 Ry\n estimated scf accuracy < 0.00000391 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.66E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.826E-02 0.000E+00\n\n total cpu time spent up to now is 2836.8 secs\n\n total energy = -1655.77135914 Ry\n estimated scf accuracy < 0.00000270 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.66E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 2841.3 secs\n\n total energy = -1655.77135980 Ry\n estimated scf accuracy < 0.00000029 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.09E-10, avg # of iterations = 16.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 2846.8 secs\n\n total energy = -1655.77136008 Ry\n estimated scf accuracy < 0.00000014 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.28E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 2851.5 secs\n\n total energy = -1655.77136016 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.17E-11, avg # of iterations = 6.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 2856.4 secs\n\n total energy = -1655.77136021 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 2861.2 secs\n\n total energy = -1655.77136025 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.29E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 2865.9 secs\n\n total energy = -1655.77136027 Ry\n estimated scf accuracy < 6.8E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.54E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 2870.6 secs\n\n total energy = -1655.77136029 Ry\n estimated scf accuracy < 5.6E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.10E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 2875.2 secs\n\n total energy = -1655.77136030 Ry\n estimated scf accuracy < 3.8E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.42E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 2879.8 secs\n\n total energy = -1655.77136030 Ry\n estimated scf accuracy < 4.2E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.42E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 2884.1 secs\n\n total energy = -1655.77136031 Ry\n estimated scf accuracy < 2.0E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.51E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 2888.9 secs\n\n total energy = -1655.77136031 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.35E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 2893.7 secs\n\n total energy = -1655.77136031 Ry\n estimated scf accuracy < 8.8E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.30E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 2898.0 secs\n\n total energy = -1655.77136033 Ry\n estimated scf accuracy < 5.4E-10 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.01E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 2902.6 secs\n\n total energy = -1655.77136033 Ry\n estimated scf accuracy < 5.2E-10 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.94E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 2906.2 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8653 -32.8198 -32.8184 -32.7770 -32.6681 -32.5628 -32.1789 -32.1016\n -32.0681 -31.9580 -30.7154 -29.6637 -29.2651 -29.0083 -28.9464 -28.9173\n -28.8958 -28.8942 -28.8069 -28.6293 -28.4681 -28.3540 -28.1865 -28.0930\n -27.4666 -26.8666 -25.5799 -24.8093 -24.4214 -24.0346 -22.8387 -22.0127\n -20.7352 -19.2246 -18.7349 -18.2143 -18.0643 -17.5364 -17.4033 -17.3441\n -17.1271 -16.9452 -16.6108 -16.5727 -16.5510 -16.5218 -16.4283 -16.3877\n -15.7927 -15.7423 -15.5191 -15.3770 -15.1951 -15.1212 -15.0658 -14.9058\n -14.7789 -14.7400 -14.6399 -14.6044 -14.5411 -14.4994 -14.4689 -14.3947\n -14.3246 -14.2945 -14.2497 -14.2408 -14.2095 -14.1693 -14.0946 -14.0088\n -13.9838 -13.9479 -13.9189 -13.8711 -13.8326 -13.7786 -13.7315 -13.6954\n -13.6336 -13.5919 -13.2106 -13.0619 -12.7323 -12.4342 -12.1572 -12.0619\n -11.7980 -11.5097 -11.4375 -11.3541 -10.9548 -10.7859 -10.4533 -10.0418\n -9.9303 -9.8218 -9.7829 -9.6968 -9.6498 -9.6287 -9.5942 -9.5709\n -9.5163 -9.4134 -9.3730 -9.3663 -9.3329 -9.2421 -9.1789 -9.1126\n -9.0250 -8.9887 -8.9596 -8.9118 -8.8290 -8.8049 -8.6667 -8.5951\n -8.5041 -8.2505 -8.1436 -8.0942 -7.7532 -7.6217 -7.3459 -7.2382\n -7.0052 -6.8954 -6.4245 -6.3691 -6.3091 -6.0831 -6.0713 -5.8711\n -5.5507 -4.8980 -4.7556 -4.7362 -4.3697 -4.2623 -4.1775 -4.0710\n -4.0362 -3.9036 -3.8140 -3.6993 -3.6869 -3.6662 -3.6299 -3.5166\n -3.4219 -3.1850 -3.0905 -2.8453 -2.3992 -2.2686 -0.8269 -0.4034\n -0.1597\n\n the Fermi energy is -6.0772 ev\n\n! total energy = -1655.77136035 Ry\n total all-electron energy = -6224.603708 Ry\n estimated scf accuracy < 2.8E-10 Ry\n smearing contrib. (-TS) = -0.00560029 Ry\n internal energy E=F+TS = -1655.76576006 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18370.10998091 Ry\n hartree contribution = 9217.92101230 Ry\n xc contribution = -312.78142470 Ry\n ewald contribution = 8237.17732181 Ry\n DFT-D3 Dispersion = -0.16436532 Ry\n one-center paw contrib. = -427.80832325 Ry\n\n convergence has been achieved in 30 iterations\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00051739 -0.00161390 0.00206661\n atom 2 type 1 force = -0.00129092 -0.00157850 -0.00097728\n atom 3 type 2 force = 0.00097404 0.00030957 -0.00268444\n atom 4 type 2 force = -0.00002003 -0.00167190 -0.00006057\n atom 5 type 1 force = 0.00108735 -0.00127231 -0.00041195\n atom 6 type 1 force = -0.00006703 -0.00060561 0.00034975\n atom 7 type 2 force = -0.00145119 -0.00038184 0.00021943\n atom 8 type 2 force = -0.00130967 -0.00145909 0.00081438\n atom 9 type 1 force = -0.00090950 0.00248045 -0.00049849\n atom 10 type 1 force = 0.00022227 -0.00017238 0.00052680\n atom 11 type 2 force = 0.00131269 -0.00059204 0.00064069\n atom 12 type 2 force = -0.00079130 0.00041976 0.00041095\n atom 13 type 1 force = 0.00105090 0.00076379 0.00185577\n atom 14 type 1 force = 0.00093811 -0.00125420 -0.00078831\n atom 15 type 1 force = 0.00248479 -0.00401313 -0.00409822\n atom 16 type 2 force = 0.00001460 0.00309552 0.00074849\n atom 17 type 2 force = -0.00046753 0.00070887 0.00245696\n atom 18 type 1 force = -0.00205805 0.00134113 0.00131478\n atom 19 type 1 force = 0.00089120 0.00101190 0.00053163\n atom 20 type 2 force = -0.00218688 0.00147001 0.00151175\n atom 21 type 2 force = 0.00025108 -0.00106610 -0.00139072\n atom 22 type 3 force = -0.00227998 0.00013126 -0.00028058\n atom 23 type 1 force = 0.00091865 -0.00028689 -0.00257174\n atom 24 type 1 force = 0.00012711 0.00142760 -0.00016176\n atom 25 type 1 force = 0.00053520 0.00053437 0.00131810\n atom 26 type 1 force = 0.00034147 -0.00093567 0.00071248\n atom 27 type 1 force = -0.00111452 0.00129276 -0.00258350\n atom 28 type 1 force = -0.00068501 -0.00142291 0.00109749\n atom 29 type 3 force = -0.00062961 0.00052197 -0.00091455\n atom 30 type 1 force = -0.00119132 0.00083226 -0.00132814\n atom 31 type 1 force = 0.00386196 0.00330797 -0.00084132\n atom 32 type 2 force = -0.00276006 -0.00574100 -0.00042817\n atom 33 type 2 force = -0.00134584 0.00064054 -0.00207132\n atom 34 type 1 force = 0.00050928 -0.00034496 0.00158208\n atom 35 type 1 force = 0.00211289 0.00353317 0.00077220\n atom 36 type 2 force = -0.00067696 -0.00071358 0.00139986\n atom 37 type 2 force = -0.00227105 -0.00076358 -0.00104813\n atom 38 type 1 force = 0.00036899 -0.00074607 -0.00123651\n atom 39 type 1 force = -0.00139747 -0.00098528 0.00204085\n atom 40 type 1 force = -0.00140538 -0.00075446 -0.00043273\n atom 41 type 2 force = -0.00156071 -0.00144599 0.00021096\n atom 42 type 2 force = 0.00326239 0.00162970 -0.00035027\n atom 43 type 1 force = -0.00144824 0.00132202 -0.00179928\n atom 44 type 1 force = 0.00149489 0.00000988 0.00335632\n atom 45 type 2 force = 0.00101019 0.00024636 -0.00023728\n atom 46 type 2 force = 0.00033044 0.00176593 -0.00043449\n atom 47 type 1 force = 0.00176058 0.00054713 -0.00118379\n atom 48 type 1 force = 0.00192754 -0.00130243 0.00121069\n atom 49 type 2 force = 0.00056328 0.00149198 0.00154527\n atom 50 type 2 force = 0.00148373 0.00028796 0.00011925\n\n Total force = 0.018615 Total SCF correction = 0.000043\n Energy error = 4.0E-04 Ry\n Gradient error = 5.7E-03 Ry/Bohr\n\n number of scf cycles = 69\n number of bfgs steps = 68\n\n energy old = -1655.7709618398 Ry\n energy new = -1655.7713603532 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0508341484 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8242197194 9.7281203979 9.3030568079\nN 10.5732294800 9.8859383176 8.1676694759\nO 9.5878899475 9.2519510540 8.5164417431\nO 10.6816105326 10.8403363860 7.4313662894\nN 13.1563850044 8.4614255769 9.2063690728\nN 12.3752632935 7.0712068987 10.5128779097\nO 12.3031547061 7.4671341892 11.6519365238\nO 12.1752790489 6.0240576924 9.9615667072\nN 14.4343560718 8.0386161476 9.6307066799\nN 15.2488446718 8.4439830144 6.8273049299\nO 14.7087935284 9.4586289137 6.4313813060\nO 15.8970989136 7.5815969877 6.2748331073\nN 15.1299352030 8.8381928802 10.3291717340\nN 16.4412153083 8.5115460115 10.3176133333\nN 16.6661349911 6.6116429840 9.9660620195\nO 17.3978768211 6.3765807011 9.0452020923\nO 16.0326146053 5.9347236451 10.7318721112\nN 17.2409295577 9.1300273694 11.1699085520\nN 17.4762372941 8.3183622332 12.8555449064\nO 17.9025280088 7.1888726991 12.7803152238\nO 17.1439741577 9.0151399238 13.7785139562\nC 18.4700439197 9.4740892828 10.5823435999\nN 19.5419581736 8.5762891548 9.9028891107\nN 19.5379759459 9.5748628459 8.6747928013\nN 20.6187331415 10.4118926137 9.3953719185\nN 19.5478791782 11.2990862729 10.0704358580\nN 19.5305816385 10.2966801904 11.2960220500\nN 20.6149779592 9.4616339981 10.5795493554\nC 18.4821398806 10.4149737689 9.3764699933\nN 17.2908999619 10.8380452586 8.7548296411\nN 17.4676090386 11.3904152067 7.1101840971\nO 17.1639802956 12.5533775788 6.9695865924\nO 17.8121401902 10.5239270857 6.3473220951\nN 16.4926412237 11.5457871618 9.5440634018\nN 16.8653433946 13.3883364420 9.9764390341\nO 16.2883160324 14.1684749189 9.2698950146\nO 17.6283634965 13.4894248738 10.8972004133\nN 15.1724404299 11.2903016796 9.4680496979\nN 14.4658199210 12.1157335140 10.1257774139\nN 15.2493597563 11.6031676389 12.9182929767\nO 16.0745280852 12.3250819034 13.4325008094\nO 14.3893157012 10.8687011507 13.3530930767\nN 13.1527341710 11.7431719983 10.4803973896\nN 12.4509922942 13.2203880131 9.0715079913\nO 12.5507648362 12.8965335007 7.9138539663\nO 12.1229830354 14.2219799551 9.6494289189\nN 12.7691888145 10.4951284882 10.3574026398\nN 10.5782556238 10.5727429216 11.4403438485\nO 9.5857828376 10.8651175158 10.7881134824\nO 10.6893732014 10.2022493025 12.5849300634\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 2916.2 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 3 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2927.3 secs\n\n total energy = -1655.77119620 Ry\n estimated scf accuracy < 0.00199819 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.46E-07, avg # of iterations = 8.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 2931.6 secs\n\n total energy = -1655.77121413 Ry\n estimated scf accuracy < 0.01186190 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.46E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 2935.7 secs\n\n total energy = -1655.77132458 Ry\n estimated scf accuracy < 0.00526744 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.46E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 2939.9 secs\n\n total energy = -1655.77139156 Ry\n estimated scf accuracy < 0.00042693 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.59E-07, avg # of iterations = 12.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 2944.9 secs\n\n total energy = -1655.77165794 Ry\n estimated scf accuracy < 0.00012617 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.71E-08, avg # of iterations = 6.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 2949.7 secs\n\n total energy = -1655.77171145 Ry\n estimated scf accuracy < 0.00008562 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.19E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 2954.0 secs\n\n total energy = -1655.77171972 Ry\n estimated scf accuracy < 0.00002001 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.47E-09, avg # of iterations = 15.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 2959.6 secs\n\n total energy = -1655.77173938 Ry\n estimated scf accuracy < 0.00000562 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.10E-09, avg # of iterations = 15.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 2965.0 secs\n\n total energy = -1655.77174379 Ry\n estimated scf accuracy < 0.00000544 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.03E-09, avg # of iterations = 7.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 2969.5 secs\n\n total energy = -1655.77174413 Ry\n estimated scf accuracy < 0.00000296 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.11E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 2973.9 secs\n\n total energy = -1655.77174433 Ry\n estimated scf accuracy < 0.00000112 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.18E-10, avg # of iterations = 12.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 2979.1 secs\n\n total energy = -1655.77174503 Ry\n estimated scf accuracy < 0.00000046 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 2984.0 secs\n\n total energy = -1655.77174524 Ry\n estimated scf accuracy < 0.00000049 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-10, avg # of iterations = 12.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 2988.6 secs\n\n total energy = -1655.77174531 Ry\n estimated scf accuracy < 0.00000009 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.29E-11, avg # of iterations = 15.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 2994.6 secs\n\n total energy = -1655.77174551 Ry\n estimated scf accuracy < 0.00000009 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.27E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 2999.0 secs\n\n total energy = -1655.77174553 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.89E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3004.0 secs\n\n total energy = -1655.77174555 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.78E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3009.0 secs\n\n total energy = -1655.77174556 Ry\n estimated scf accuracy < 6.1E-09 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.29E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3013.9 secs\n\n total energy = -1655.77174557 Ry\n estimated scf accuracy < 4.9E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.82E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3018.3 secs\n\n total energy = -1655.77174557 Ry\n estimated scf accuracy < 2.1E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.83E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3023.2 secs\n\n total energy = -1655.77174558 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.65E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3028.0 secs\n\n total energy = -1655.77174558 Ry\n estimated scf accuracy < 1.5E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.65E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3032.4 secs\n\n total energy = -1655.77174559 Ry\n estimated scf accuracy < 5.9E-10 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.21E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3036.0 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8850 -32.8359 -32.8351 -32.7952 -32.6640 -32.5487 -32.1979 -32.0964\n -32.0555 -31.9591 -30.7075 -29.6672 -29.2676 -29.0216 -28.9733 -28.9162\n -28.9046 -28.8981 -28.7992 -28.6365 -28.4728 -28.3446 -28.1773 -28.0891\n -27.4691 -26.8659 -25.5812 -24.8031 -24.4131 -24.0355 -22.8423 -22.0149\n -20.7424 -19.2188 -18.7282 -18.2151 -18.0840 -17.5253 -17.4202 -17.3512\n -17.1216 -16.9397 -16.6112 -16.5668 -16.5475 -16.5191 -16.4259 -16.3864\n -15.7896 -15.7439 -15.5296 -15.3858 -15.1920 -15.1242 -15.0611 -14.9076\n -14.7821 -14.7543 -14.6379 -14.6120 -14.5483 -14.4999 -14.4705 -14.3862\n -14.3202 -14.2985 -14.2664 -14.2463 -14.2112 -14.1676 -14.0841 -14.0064\n -13.9908 -13.9426 -13.9140 -13.8632 -13.8279 -13.7764 -13.7335 -13.6952\n -13.6325 -13.5887 -13.2116 -13.0649 -12.7375 -12.4401 -12.1617 -12.0668\n -11.8001 -11.5092 -11.4389 -11.3526 -10.9565 -10.7863 -10.4578 -10.0417\n -9.9302 -9.8194 -9.7819 -9.6950 -9.6482 -9.6352 -9.5952 -9.5707\n -9.5269 -9.4101 -9.3703 -9.3619 -9.3258 -9.2432 -9.1777 -9.1181\n -9.0298 -8.9961 -8.9615 -8.9090 -8.8256 -8.7990 -8.6712 -8.5949\n -8.5008 -8.2502 -8.1492 -8.0971 -7.7506 -7.6245 -7.3551 -7.2420\n -7.0073 -6.8970 -6.4218 -6.3652 -6.3075 -6.0861 -6.0739 -5.8772\n -5.5580 -4.9086 -4.7654 -4.7320 -4.3666 -4.2510 -4.1688 -4.0715\n -4.0401 -3.9108 -3.8163 -3.6941 -3.6771 -3.6637 -3.6286 -3.5166\n -3.4264 -3.1846 -3.0946 -2.8463 -2.4019 -2.2682 -0.8230 -0.4027\n -0.1600\n\n the Fermi energy is -6.0800 ev\n\n! total energy = -1655.77174560 Ry\n total all-electron energy = -6224.604093 Ry\n estimated scf accuracy < 3.6E-10 Ry\n smearing contrib. (-TS) = -0.00559763 Ry\n internal energy E=F+TS = -1655.76614797 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18372.32890764 Ry\n hartree contribution = 9219.02008524 Ry\n xc contribution = -312.78382508 Ry\n ewald contribution = 8238.29940110 Ry\n DFT-D3 Dispersion = -0.16441791 Ry\n one-center paw contrib. = -427.80848369 Ry\n\n convergence has been achieved in 24 iterations\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00088426 -0.00061155 0.00113375\n atom 2 type 1 force = -0.00129987 -0.00079647 -0.00187679\n atom 3 type 2 force = 0.00070297 -0.00041154 -0.00127645\n atom 4 type 2 force = -0.00046197 -0.00127782 -0.00013391\n atom 5 type 1 force = 0.00076854 0.00011604 0.00028545\n atom 6 type 1 force = 0.00049337 -0.00138056 -0.00045361\n atom 7 type 2 force = -0.00133003 -0.00086615 -0.00088289\n atom 8 type 2 force = -0.00173010 -0.00070706 0.00221139\n atom 9 type 1 force = -0.00043323 0.00096677 0.00014850\n atom 10 type 1 force = 0.00044574 -0.00048586 -0.00013958\n atom 11 type 2 force = 0.00112258 -0.00034115 0.00087645\n atom 12 type 2 force = -0.00084381 0.00042062 0.00079744\n atom 13 type 1 force = 0.00085489 -0.00010378 0.00075819\n atom 14 type 1 force = 0.00059412 0.00027820 0.00034572\n atom 15 type 1 force = 0.00167150 -0.00244274 -0.00402050\n atom 16 type 2 force = 0.00087783 0.00274773 0.00005508\n atom 17 type 2 force = -0.00091077 -0.00066798 0.00334772\n atom 18 type 1 force = -0.00034375 0.00208779 0.00081491\n atom 19 type 1 force = 0.00153285 0.00006477 0.00046875\n atom 20 type 2 force = -0.00182024 -0.00011309 0.00005583\n atom 21 type 2 force = -0.00088010 0.00132952 -0.00054308\n atom 22 type 3 force = -0.00095130 -0.00011716 -0.00056504\n atom 23 type 1 force = 0.00066153 0.00019385 -0.00338449\n atom 24 type 1 force = 0.00072153 0.00066405 0.00031133\n atom 25 type 1 force = 0.00056878 0.00054700 0.00101305\n atom 26 type 1 force = 0.00064295 -0.00075621 0.00022885\n atom 27 type 1 force = -0.00070455 0.00076721 -0.00144034\n atom 28 type 1 force = -0.00042026 -0.00168765 0.00126661\n atom 29 type 3 force = 0.00051299 0.00055069 -0.00035635\n atom 30 type 1 force = -0.00035355 -0.00050395 -0.00021160\n atom 31 type 1 force = 0.00240614 0.00448613 0.00002543\n atom 32 type 2 force = -0.00269419 -0.00406787 -0.00142150\n atom 33 type 2 force = -0.00072906 -0.00039768 -0.00146744\n atom 34 type 1 force = -0.00002735 -0.00067399 0.00025098\n atom 35 type 1 force = 0.00217110 0.00357677 0.00088135\n atom 36 type 2 force = -0.00176474 0.00107426 -0.00017625\n atom 37 type 2 force = -0.00092162 -0.00155820 0.00003612\n atom 38 type 1 force = -0.00140991 -0.00152595 0.00020583\n atom 39 type 1 force = -0.00072085 -0.00262097 0.00125725\n atom 40 type 1 force = -0.00129997 -0.00060692 -0.00037429\n atom 41 type 2 force = 0.00057192 0.00038522 0.00032276\n atom 42 type 2 force = 0.00099474 -0.00037254 -0.00044175\n atom 43 type 1 force = -0.00112156 0.00196163 -0.00277624\n atom 44 type 1 force = 0.00133902 -0.00024216 0.00251655\n atom 45 type 2 force = 0.00086495 0.00100972 0.00160469\n atom 46 type 2 force = 0.00054419 0.00120388 -0.00118569\n atom 47 type 1 force = 0.00179086 0.00085873 -0.00051359\n atom 48 type 1 force = 0.00119880 -0.00125977 0.00083223\n atom 49 type 2 force = -0.00030563 0.00078742 0.00202331\n atom 50 type 2 force = 0.00030874 0.00051873 -0.00043413\n\n Total force = 0.016122 Total SCF correction = 0.000047\n Energy error = 3.9E-04 Ry\n Gradient error = 4.5E-03 Ry/Bohr\n\n number of scf cycles = 70\n number of bfgs steps = 69\n\n energy old = -1655.7713603532 Ry\n energy new = -1655.7717456004 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0981125196 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8275054185 9.7155564884 9.3074235964\nN 10.5698358929 9.8724274327 8.1736283382\nO 9.5835941993 9.2345861007 8.5119497404\nO 10.6807608353 10.8334042363 7.4457231045\nN 13.1619536837 8.4491375026 9.2068107261\nN 12.3831914428 7.0623534934 10.5218007703\nO 12.3037903943 7.4636811720 11.6586355702\nO 12.1922635816 6.0107977741 9.9753205686\nN 14.4415515005 8.0339987780 9.6272991281\nN 15.2628686158 8.4393533219 6.8286747465\nO 14.7145246655 9.4487581272 6.4295529651\nO 15.8999868596 7.5716239343 6.2715551595\nN 15.1325461729 8.8357485545 10.3302083171\nN 16.4456217259 8.5175643621 10.3154978517\nN 16.6854149759 6.6148847484 9.9535250184\nO 17.4157662255 6.3916603364 9.0285227884\nO 16.0570561628 5.9337801574 10.7215482263\nN 17.2378936868 9.1447625178 11.1693063900\nN 17.4864475023 8.3314999099 12.8579948038\nO 17.9132470804 7.2017366437 12.7808885475\nO 17.1604049364 9.0266508266 13.7846971462\nC 18.4651833049 9.4917275332 10.5787444980\nN 19.5393461765 8.5899952337 9.9044565549\nN 19.5347250211 9.5807930751 8.6698633854\nN 20.6161951471 10.4228759443 9.3861099938\nN 19.5440065714 11.3133092647 10.0539243258\nN 19.5258940551 10.3220514328 11.2853134386\nN 20.6114623167 9.4798827575 10.5777649218\nC 18.4775077721 10.4246352834 9.3661027706\nN 17.2855214356 10.8467356790 8.7444454907\nN 17.4514624337 11.3919350378 7.1040999576\nO 17.1133171271 12.5474484012 6.9599087119\nO 17.8163379058 10.5273969114 6.3435740816\nN 16.4885277110 11.5512674206 9.5397553331\nN 16.8570181662 13.3898714828 9.9833570840\nO 16.2810140277 14.1709539325 9.2768954581\nO 17.6122819668 13.4863277495 10.9108841815\nN 15.1677231594 11.2942677424 9.4652855007\nN 14.4604707550 12.1131813830 10.1303926039\nN 15.2573616776 11.6028482628 12.9193427176\nO 16.0839727671 12.3277366045 13.4288487727\nO 14.3966338224 10.8745567005 13.3636792820\nN 13.1487034547 11.7320867642 10.4863912963\nN 12.4402266300 13.2091726367 9.0763493910\nO 12.5378840078 12.8853943182 7.9184507903\nO 12.1118739733 14.2107513038 9.6532863939\nN 12.7747442886 10.4809320606 10.3613053173\nN 10.5762476315 10.5585833922 11.4456331191\nO 9.5832165415 10.8511502796 10.7936727838\nO 10.6876076373 10.1938432523 12.5924000736\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 3046.2 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 35.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 3060.5 secs\n\n total energy = -1655.77168968 Ry\n estimated scf accuracy < 0.00556161 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.08E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 3064.5 secs\n\n total energy = -1655.77155313 Ry\n estimated scf accuracy < 0.00819646 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.08E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 3068.7 secs\n\n total energy = -1655.77123140 Ry\n estimated scf accuracy < 0.04892669 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.08E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3072.8 secs\n\n total energy = -1655.77164585 Ry\n estimated scf accuracy < 0.00092754 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.46E-07, avg # of iterations = 8.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3077.2 secs\n\n total energy = -1655.77177104 Ry\n estimated scf accuracy < 0.00024405 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.11E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 3082.5 secs\n\n total energy = -1655.77198000 Ry\n estimated scf accuracy < 0.00010251 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.82E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 3087.3 secs\n\n total energy = -1655.77200813 Ry\n estimated scf accuracy < 0.00005046 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.88E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3092.0 secs\n\n total energy = -1655.77201630 Ry\n estimated scf accuracy < 0.00003893 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-08, avg # of iterations = 11.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3096.8 secs\n\n total energy = -1655.77202833 Ry\n estimated scf accuracy < 0.00001509 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.63E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3101.6 secs\n\n total energy = -1655.77203495 Ry\n estimated scf accuracy < 0.00001087 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.06E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3106.0 secs\n\n total energy = -1655.77203577 Ry\n estimated scf accuracy < 0.00000689 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.57E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 3110.4 secs\n\n total energy = -1655.77203617 Ry\n estimated scf accuracy < 0.00000201 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.51E-10, avg # of iterations = 12.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 3115.6 secs\n\n total energy = -1655.77203770 Ry\n estimated scf accuracy < 0.00000066 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.46E-10, avg # of iterations = 14.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 3120.9 secs\n\n total energy = -1655.77203825 Ry\n estimated scf accuracy < 0.00000024 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.09E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 3126.0 secs\n\n total energy = -1655.77203841 Ry\n estimated scf accuracy < 0.00000028 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.09E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3130.5 secs\n\n total energy = -1655.77203845 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.34E-11, avg # of iterations = 16.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3136.4 secs\n\n total energy = -1655.77203851 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.12E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3140.7 secs\n\n total energy = -1655.77203852 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.99E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3145.5 secs\n\n total energy = -1655.77203854 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.99E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3149.9 secs\n\n total energy = -1655.77203854 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.02E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3154.2 secs\n\n total energy = -1655.77203855 Ry\n estimated scf accuracy < 4.6E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3159.0 secs\n\n total energy = -1655.77203856 Ry\n estimated scf accuracy < 2.8E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3163.8 secs\n\n total energy = -1655.77203857 Ry\n estimated scf accuracy < 1.9E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.25E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3168.5 secs\n\n total energy = -1655.77203858 Ry\n estimated scf accuracy < 1.3E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.82E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3172.9 secs\n\n total energy = -1655.77203859 Ry\n estimated scf accuracy < 1.6E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.82E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 3176.5 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8872 -32.8303 -32.7834 -32.7816 -32.6639 -32.5540 -32.1805 -32.0875\n -32.0435 -31.9586 -30.6954 -29.6685 -29.2642 -29.0396 -28.9958 -28.8997\n -28.8951 -28.8619 -28.7998 -28.6366 -28.4470 -28.3263 -28.1662 -28.0894\n -27.4695 -26.8626 -25.5758 -24.8008 -24.4018 -24.0329 -22.8433 -22.0126\n -20.7445 -19.2115 -18.7177 -18.2149 -18.1055 -17.5127 -17.4316 -17.3515\n -17.1141 -16.9370 -16.6088 -16.5604 -16.5431 -16.5142 -16.4269 -16.3854\n -15.7839 -15.7463 -15.5382 -15.3849 -15.1920 -15.1178 -15.0479 -14.9003\n -14.7837 -14.7525 -14.6383 -14.6094 -14.5373 -14.4987 -14.4642 -14.3892\n -14.3163 -14.3074 -14.2856 -14.2491 -14.2010 -14.1680 -14.0760 -13.9933\n -13.9753 -13.9323 -13.9036 -13.8538 -13.8207 -13.7767 -13.7235 -13.6890\n -13.6284 -13.5820 -13.2153 -13.0683 -12.7377 -12.4393 -12.1646 -12.0735\n -11.7968 -11.5073 -11.4334 -11.3554 -10.9558 -10.7892 -10.4543 -10.0403\n -9.9311 -9.8163 -9.7817 -9.6900 -9.6434 -9.6351 -9.5957 -9.5719\n -9.5382 -9.3971 -9.3681 -9.3530 -9.3205 -9.2488 -9.1813 -9.1208\n -9.0353 -9.0054 -8.9628 -8.9022 -8.8192 -8.7868 -8.6753 -8.5918\n -8.5012 -8.2561 -8.1553 -8.1021 -7.7497 -7.6311 -7.3635 -7.2421\n -7.0051 -6.9005 -6.4200 -6.3628 -6.3087 -6.0930 -6.0811 -5.8858\n -5.5650 -4.9219 -4.7941 -4.7353 -4.3720 -4.2480 -4.1741 -4.0827\n -4.0586 -3.9155 -3.8152 -3.6925 -3.6738 -3.6590 -3.6237 -3.5204\n -3.4328 -3.1802 -3.0972 -2.8515 -2.4064 -2.2677 -0.8056 -0.4028\n -0.1617\n\n the Fermi energy is -6.0870 ev\n\n! total energy = -1655.77203863 Ry\n total all-electron energy = -6224.604386 Ry\n estimated scf accuracy < 3.6E-10 Ry\n smearing contrib. (-TS) = -0.00559914 Ry\n internal energy E=F+TS = -1655.76643949 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18371.49748413 Ry\n hartree contribution = 9218.61230879 Ry\n xc contribution = -312.75684111 Ry\n ewald contribution = 8237.84920221 Ry\n DFT-D3 Dispersion = -0.16448296 Ry\n one-center paw contrib. = -427.80914228 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00141099 0.00008793 0.00021771\n atom 2 type 1 force = -0.00095401 0.00015234 -0.00294372\n atom 3 type 2 force = 0.00119361 -0.00044419 -0.00064858\n atom 4 type 2 force = -0.00166446 -0.00199180 0.00035409\n atom 5 type 1 force = 0.00031177 0.00131091 0.00103610\n atom 6 type 1 force = 0.00059859 -0.00185199 -0.00043763\n atom 7 type 2 force = -0.00111863 -0.00081854 -0.00133735\n atom 8 type 2 force = -0.00199793 -0.00053843 0.00238561\n atom 9 type 1 force = 0.00111017 0.00072592 0.00146786\n atom 10 type 1 force = 0.00016012 0.00018934 -0.00147836\n atom 11 type 2 force = 0.00101115 -0.00034490 0.00173798\n atom 12 type 2 force = -0.00047841 -0.00027537 0.00131477\n atom 13 type 1 force = 0.00018338 -0.00183410 -0.00127683\n atom 14 type 1 force = -0.00039083 0.00175518 0.00166175\n atom 15 type 1 force = 0.00004691 -0.00208330 -0.00188495\n atom 16 type 2 force = -0.00081154 0.00163350 0.00202218\n atom 17 type 2 force = 0.00204905 0.00033951 -0.00036624\n atom 18 type 1 force = 0.00130697 0.00193025 -0.00051257\n atom 19 type 1 force = 0.00170576 -0.00147734 0.00174855\n atom 20 type 2 force = -0.00235032 0.00097682 -0.00068066\n atom 21 type 2 force = -0.00090755 0.00170148 -0.00151496\n atom 22 type 3 force = 0.00072615 -0.00015438 -0.00064302\n atom 23 type 1 force = -0.00016593 0.00108258 -0.00268841\n atom 24 type 1 force = 0.00107843 0.00043043 0.00086846\n atom 25 type 1 force = 0.00027836 0.00011029 0.00066120\n atom 26 type 1 force = 0.00027008 -0.00062399 -0.00016413\n atom 27 type 1 force = -0.00023140 -0.00086423 -0.00036327\n atom 28 type 1 force = 0.00002462 -0.00091271 0.00023592\n atom 29 type 3 force = 0.00149993 0.00049677 -0.00002349\n atom 30 type 1 force = 0.00021877 -0.00095275 0.00103998\n atom 31 type 1 force = 0.00095330 0.00503123 -0.00324572\n atom 32 type 2 force = 0.00019130 -0.01102450 -0.00251010\n atom 33 type 2 force = -0.00298669 0.00696386 0.00334114\n atom 34 type 1 force = -0.00131149 -0.00090529 -0.00112230\n atom 35 type 1 force = 0.00157523 0.00297403 0.00061860\n atom 36 type 2 force = -0.00085305 0.00125754 0.00050493\n atom 37 type 2 force = -0.00098682 -0.00097412 -0.00067688\n atom 38 type 1 force = -0.00071810 -0.00215381 0.00105969\n atom 39 type 1 force = -0.00038830 -0.00309765 0.00080896\n atom 40 type 1 force = -0.00057580 0.00013207 0.00202742\n atom 41 type 2 force = -0.00016482 -0.00027608 -0.00103096\n atom 42 type 2 force = 0.00091693 -0.00050661 -0.00144328\n atom 43 type 1 force = -0.00054562 0.00145050 -0.00312691\n atom 44 type 1 force = 0.00145552 -0.00064277 0.00121317\n atom 45 type 2 force = 0.00122429 0.00064631 0.00171655\n atom 46 type 2 force = 0.00039446 0.00199963 0.00000939\n atom 47 type 1 force = 0.00119110 0.00143063 -0.00021508\n atom 48 type 1 force = 0.00060456 -0.00096469 0.00145815\n atom 49 type 2 force = -0.00089974 0.00030970 0.00192530\n atom 50 type 2 force = -0.00036810 0.00059476 -0.00110008\n\n Total force = 0.021154 Total SCF correction = 0.000046\n Energy error = 2.9E-04 Ry\n Gradient error = 1.1E-02 Ry/Bohr\n\n number of scf cycles = 71\n number of bfgs steps = 70\n\n energy old = -1655.7717456004 Ry\n energy new = -1655.7720386254 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0268707767 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8325942225 9.7132196271 9.3101476766\nN 10.5669405985 9.8660217714 8.1673695599\nO 9.5803233122 9.2276193169 8.5015635739\nO 10.6797421926 10.8271881076 7.4398124673\nN 13.1647554885 8.4464299112 9.2046396795\nN 12.3846505768 7.0561936473 10.5267579199\nO 12.2920051436 7.4607306144 11.6603770568\nO 12.2022344089 6.0030477654 9.9818559631\nN 14.4440848268 8.0336192648 9.6215569653\nN 15.2678989145 8.4399804001 6.8328288042\nO 14.7207334312 9.4502975711 6.4367788201\nO 15.8987928400 7.5693826701 6.2736728028\nN 15.1329860193 8.8316552659 10.3284265735\nN 16.4461491265 8.5165029643 10.3115329453\nN 16.6869151379 6.6077137094 9.9472568407\nO 17.4170412852 6.3855810573 9.0245012173\nO 16.0568334469 5.9351667211 10.7200850416\nN 17.2340898658 9.1468868314 11.1674155813\nN 17.4853280449 8.3338137938 12.8641929005\nO 17.9100216632 7.2032407036 12.7923644576\nO 17.1566339693 9.0318457063 13.7868686143\nC 18.4604578353 9.4941069275 10.5757601053\nN 19.5364423393 8.5926261000 9.8984894823\nN 19.5338358259 9.5853924359 8.6684499523\nN 20.6154931677 10.4246678690 9.3872170215\nN 19.5423183227 11.3135900946 10.0533039157\nN 19.5217420507 10.3240785309 11.2811950183\nN 20.6080774505 9.4791770856 10.5779318452\nC 18.4759329983 10.4276215999 9.3633401224\nN 17.2847717991 10.8508580412 8.7418953126\nN 17.4490119236 11.3916315064 7.0985581174\nO 17.1042718187 12.5403326961 6.9548321568\nO 17.8057796358 10.5295726629 6.3366729241\nN 16.4908235559 11.5545989751 9.5415637095\nN 16.8587599845 13.3961937621 9.9852688878\nO 16.2777271137 14.1710772544 9.2758203291\nO 17.6074577788 13.4949216113 10.9167687010\nN 15.1687233283 11.3001997212 9.4662094164\nN 14.4632358564 12.1132305556 10.1389254458\nN 15.2578294435 11.6040755207 12.9165894766\nO 16.0846121887 12.3269769598 13.4289511328\nO 14.4019494770 10.8701257314 13.3599736580\nN 13.1504743654 11.7311343929 10.4895973147\nN 12.4489823804 13.2125129508 9.0793087314\nO 12.5430488570 12.8901597052 7.9196780717\nO 12.1230893430 14.2164938709 9.6551433385\nN 12.7836531360 10.4776652234 10.3620216562\nN 10.5751215146 10.5584457756 11.4501916032\nO 9.5813850097 10.8553596155 10.8012516026\nO 10.6869300281 10.1927136623 12.5958872222\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 3186.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 1 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.770E-02 0.000E+00\n\n total cpu time spent up to now is 3196.8 secs\n\n total energy = -1655.77119496 Ry\n estimated scf accuracy < 0.00608231 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.27E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.773E-02 0.000E+00\n\n total cpu time spent up to now is 3200.9 secs\n\n total energy = -1655.76977000 Ry\n estimated scf accuracy < 0.28804484 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.27E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.741E-02 0.000E+00\n\n total cpu time spent up to now is 3205.0 secs\n\n total energy = -1655.77188035 Ry\n estimated scf accuracy < 0.00076878 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.87E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.712E-02 0.000E+00\n\n total cpu time spent up to now is 3209.3 secs\n\n total energy = -1655.77196897 Ry\n estimated scf accuracy < 0.00035293 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.32E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.711E-02 0.000E+00\n\n total cpu time spent up to now is 3214.3 secs\n\n total energy = -1655.77219204 Ry\n estimated scf accuracy < 0.00051642 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.32E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.713E-02 0.000E+00\n\n total cpu time spent up to now is 3218.5 secs\n\n total energy = -1655.77220675 Ry\n estimated scf accuracy < 0.00021634 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.07E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.711E-02 0.000E+00\n\n total cpu time spent up to now is 3222.8 secs\n\n total energy = -1655.77221711 Ry\n estimated scf accuracy < 0.00001929 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.20E-09, avg # of iterations = 13.0\n\n negative rho (up, down): 2.718E-02 0.000E+00\n\n total cpu time spent up to now is 3229.0 secs\n\n total energy = -1655.77226706 Ry\n estimated scf accuracy < 0.00009467 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.20E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.737E-02 0.000E+00\n\n total cpu time spent up to now is 3233.3 secs\n\n total energy = -1655.77226531 Ry\n estimated scf accuracy < 0.00004800 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.20E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.754E-02 0.000E+00\n\n total cpu time spent up to now is 3237.5 secs\n\n total energy = -1655.77226567 Ry\n estimated scf accuracy < 0.00001163 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.34E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.762E-02 0.000E+00\n\n total cpu time spent up to now is 3241.8 secs\n\n total energy = -1655.77226616 Ry\n estimated scf accuracy < 0.00000056 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 3 eigenvalues not converged\n ethr = 2.10E-10, avg # of iterations = 20.0\n\n negative rho (up, down): 2.761E-02 0.000E+00\n\n total cpu time spent up to now is 3249.7 secs\n\n total energy = -1655.77226946 Ry\n estimated scf accuracy < 0.00000175 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.10E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.766E-02 0.000E+00\n\n total cpu time spent up to now is 3254.0 secs\n\n total energy = -1655.77226930 Ry\n estimated scf accuracy < 0.00000170 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.10E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.771E-02 0.000E+00\n\n total cpu time spent up to now is 3258.3 secs\n\n total energy = -1655.77226925 Ry\n estimated scf accuracy < 0.00000069 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.10E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 3262.6 secs\n\n total energy = -1655.77226922 Ry\n estimated scf accuracy < 0.00000025 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.20E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 3267.0 secs\n\n total energy = -1655.77226918 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.78E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 3272.1 secs\n\n total energy = -1655.77226921 Ry\n estimated scf accuracy < 0.00000007 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.75E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 3276.4 secs\n\n total energy = -1655.77226916 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.81E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 3280.8 secs\n\n total energy = -1655.77226910 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.78E-12, avg # of iterations = 15.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 3285.7 secs\n\n total energy = -1655.77226910 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.78E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 3290.2 secs\n\n total energy = -1655.77226905 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.91E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 3294.5 secs\n\n total energy = -1655.77226902 Ry\n estimated scf accuracy < 5.4E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.00E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 3299.7 secs\n\n total energy = -1655.77226902 Ry\n estimated scf accuracy < 5.7E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.00E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 3304.0 secs\n\n total energy = -1655.77226901 Ry\n estimated scf accuracy < 2.5E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.23E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 3308.4 secs\n\n total energy = -1655.77226899 Ry\n estimated scf accuracy < 3.3E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.23E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 3312.7 secs\n\n total energy = -1655.77226898 Ry\n estimated scf accuracy < 6.7E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.51E-13, avg # of iterations = 14.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 3318.2 secs\n\n total energy = -1655.77226898 Ry\n estimated scf accuracy < 7.4E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.51E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 3322.5 secs\n\n total energy = -1655.77226897 Ry\n estimated scf accuracy < 6.2E-10 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.30E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3326.1 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9088 -32.8748 -32.8631 -32.7864 -32.6821 -32.5231 -32.1769 -32.1021\n -32.0381 -31.9599 -30.6982 -29.6774 -29.2696 -29.0687 -29.0566 -28.9267\n -28.9149 -28.8928 -28.7633 -28.6383 -28.4377 -28.3415 -28.1551 -28.0892\n -27.4674 -26.8612 -25.5689 -24.8106 -24.3902 -24.0314 -22.8468 -22.0000\n -20.7454 -19.1984 -18.6990 -18.2014 -18.0938 -17.4848 -17.4215 -17.3450\n -17.0978 -16.9282 -16.6019 -16.5534 -16.5345 -16.5106 -16.4187 -16.3795\n -15.7744 -15.7456 -15.5471 -15.3923 -15.1978 -15.1240 -15.0411 -14.8994\n -14.7837 -14.7741 -14.6590 -14.6068 -14.5535 -14.5069 -14.4623 -14.3657\n -14.3315 -14.3197 -14.2954 -14.2530 -14.2117 -14.1507 -14.0603 -13.9850\n -13.9684 -13.9387 -13.9144 -13.8445 -13.8086 -13.7736 -13.7191 -13.6881\n -13.6333 -13.5819 -13.2228 -13.0772 -12.7451 -12.4488 -12.1683 -12.0833\n -11.8024 -11.4991 -11.4313 -11.3589 -10.9536 -10.7933 -10.4607 -10.0330\n -9.9281 -9.8100 -9.7847 -9.6871 -9.6484 -9.6396 -9.5993 -9.5582\n -9.5523 -9.3889 -9.3677 -9.3582 -9.3072 -9.2535 -9.1936 -9.1198\n -9.0433 -9.0074 -8.9582 -8.9045 -8.8185 -8.7942 -8.6740 -8.5815\n -8.4993 -8.2571 -8.1500 -8.0928 -7.7366 -7.6273 -7.3576 -7.2335\n -6.9905 -6.8906 -6.4063 -6.3505 -6.2998 -6.0893 -6.0767 -5.8894\n -5.5685 -4.9260 -4.8076 -4.7360 -4.3683 -4.2237 -4.1407 -4.0836\n -4.0583 -3.9081 -3.8142 -3.6778 -3.6645 -3.6570 -3.6060 -3.5133\n -3.4323 -3.1748 -3.0897 -2.8469 -2.3940 -2.2610 -0.7591 -0.4019\n -0.1612\n\n the Fermi energy is -6.0830 ev\n\n! total energy = -1655.77226895 Ry\n total all-electron energy = -6224.604617 Ry\n estimated scf accuracy < 2.5E-10 Ry\n smearing contrib. (-TS) = -0.00559537 Ry\n internal energy E=F+TS = -1655.76667357 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18368.69550574 Ry\n hartree contribution = 9217.22282517 Ry\n xc contribution = -312.78250675 Ry\n ewald contribution = 8236.46217976 Ry\n DFT-D3 Dispersion = -0.16446944 Ry\n one-center paw contrib. = -427.80919657 Ry\n\n convergence has been achieved in 29 iterations\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00197552 0.00054123 -0.00149950\n atom 2 type 1 force = 0.00028546 0.00117453 -0.00311389\n atom 3 type 2 force = 0.00077567 -0.00097478 0.00037285\n atom 4 type 2 force = -0.00172347 -0.00180216 0.00037293\n atom 5 type 1 force = -0.00063069 0.00194810 0.00129902\n atom 6 type 1 force = 0.00089899 -0.00068736 -0.00221768\n atom 7 type 2 force = -0.00071057 0.00037391 0.00120808\n atom 8 type 2 force = -0.00229396 -0.00265586 0.00117609\n atom 9 type 1 force = 0.00028539 -0.00253467 0.00049189\n atom 10 type 1 force = 0.00040966 -0.00076459 -0.00014708\n atom 11 type 2 force = 0.00030421 0.00100566 0.00095735\n atom 12 type 2 force = -0.00007023 -0.00072856 0.00077508\n atom 13 type 1 force = 0.00124596 0.00033342 -0.00038886\n atom 14 type 1 force = -0.00025315 0.00229180 0.00227517\n atom 15 type 1 force = -0.00217805 0.00322697 0.00173195\n atom 16 type 2 force = 0.00131064 -0.00076941 -0.00097582\n atom 17 type 2 force = 0.00199529 -0.00242836 -0.00048259\n atom 18 type 1 force = 0.00286468 0.00142349 -0.00162287\n atom 19 type 1 force = 0.00113765 -0.00162475 0.00031239\n atom 20 type 2 force = -0.00181124 0.00014095 -0.00124903\n atom 21 type 2 force = -0.00117401 0.00291930 0.00013115\n atom 22 type 3 force = 0.00219810 -0.00066457 -0.00027900\n atom 23 type 1 force = -0.00075573 0.00041918 -0.00095215\n atom 24 type 1 force = 0.00075064 0.00005368 -0.00032103\n atom 25 type 1 force = -0.00006373 0.00040013 -0.00054865\n atom 26 type 1 force = 0.00003454 0.00098465 -0.00028424\n atom 27 type 1 force = 0.00067283 -0.00225426 0.00219219\n atom 28 type 1 force = 0.00071304 -0.00016609 -0.00047967\n atom 29 type 3 force = 0.00124585 0.00048125 -0.00010565\n atom 30 type 1 force = 0.00156023 -0.00237061 0.00184792\n atom 31 type 1 force = -0.00140356 0.00167275 0.00214527\n atom 32 type 2 force = -0.00287315 0.00239817 -0.00331986\n atom 33 type 2 force = 0.00123718 -0.00152395 -0.00115377\n atom 34 type 1 force = -0.00179629 -0.00073211 -0.00199610\n atom 35 type 1 force = -0.00118070 0.00115629 -0.00087711\n atom 36 type 2 force = 0.00045535 0.00199747 0.00138142\n atom 37 type 2 force = 0.00014180 0.00007985 -0.00022936\n atom 38 type 1 force = 0.00069921 -0.00363038 0.00089570\n atom 39 type 1 force = -0.00040465 -0.00146508 0.00058497\n atom 40 type 1 force = 0.00015295 0.00073811 0.00249744\n atom 41 type 2 force = -0.00000509 -0.00013091 -0.00147158\n atom 42 type 2 force = 0.00001872 -0.00123983 -0.00150890\n atom 43 type 1 force = 0.00003835 0.00055746 -0.00247357\n atom 44 type 1 force = 0.00027619 0.00116330 -0.00106979\n atom 45 type 2 force = 0.00127678 0.00042692 0.00377256\n atom 46 type 2 force = 0.00100411 -0.00000083 -0.00011083\n atom 47 type 1 force = -0.00030556 0.00173679 0.00074837\n atom 48 type 1 force = 0.00028299 -0.00030561 -0.00008652\n atom 49 type 2 force = -0.00214751 0.00006319 0.00060417\n atom 50 type 2 force = -0.00051561 -0.00025384 0.00119114\n\n Total force = 0.017230 Total SCF correction = 0.000035\n Energy error = 2.3E-04 Ry\n Gradient error = 3.8E-03 Ry/Bohr\n\n number of scf cycles = 72\n number of bfgs steps = 71\n\n energy old = -1655.7720386254 Ry\n energy new = -1655.7722689456 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0484256968 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8307781704 9.7072061125 9.3119197211\nN 10.5652734394 9.8607205951 8.1701516614\nO 9.5799588901 9.2202183093 8.5030596784\nO 10.6771800529 10.8248868459 7.4475676759\nN 13.1676348255 8.4418917806 9.2069814349\nN 12.3895197364 7.0520657215 10.5294025196\nO 12.2949647967 7.4595668723 11.6623978984\nO 12.2054453156 5.9962899322 9.9890501415\nN 14.4485390329 8.0309197702 9.6220076762\nN 15.2738784406 8.4370706539 6.8321128694\nO 14.7224922734 9.4451221418 6.4346331946\nO 15.9008024654 7.5639672418 6.2718044286\nN 15.1354230615 8.8304248171 10.3304474875\nN 16.4486353887 8.5219841358 10.3133414249\nN 16.6961774184 6.6114763089 9.9420337881\nO 17.4264701432 6.3960558492 9.0173107589\nO 16.0712985306 5.9334064691 10.7154046570\nN 17.2355915689 9.1563902810 11.1675840224\nN 17.4922123971 8.3398234813 12.8643426815\nO 17.9145193382 7.2089469606 12.7886718855\nO 17.1654489241 9.0381966424 13.7879016444\nC 18.4604487361 9.5022529838 10.5740739331\nN 19.5357954351 8.5996507634 9.8982431601\nN 19.5330276281 9.5880752565 8.6662487484\nN 20.6142632087 10.4306244306 9.3823844285\nN 19.5407587626 11.3210265755 10.0452661674\nN 19.5205412489 10.3352746429 11.2771981826\nN 20.6072047100 9.4879202043 10.5766174934\nC 18.4748824217 10.4323490817 9.3586991511\nN 17.2823499389 10.8522434150 8.7382964581\nN 17.4410083041 11.3933963134 7.0969112930\nO 17.0795123727 12.5380139523 6.9486455900\nO 17.8101895891 10.5324155387 6.3368546714\nN 16.4866996594 11.5553749554 9.5378145806\nN 16.8542927714 13.3972435617 9.9882029165\nO 16.2742590263 14.1742833277 9.2805353843\nO 17.6004764058 13.4903722466 10.9220464531\nN 15.1660287508 11.2977531572 9.4650011257\nN 14.4592725055 12.1098192351 10.1396098215\nN 15.2618304324 11.6035746578 12.9194038884\nO 16.0895804516 12.3287524919 13.4265067005\nO 14.4045924983 10.8736972358 13.3655112251\nN 13.1473359393 11.7274686929 10.4883274670\nN 12.4417691987 13.2058863320 9.0825602333\nO 12.5360487834 12.8831149259 7.9234917297\nO 12.1141577862 14.2103387419 9.6563049367\nN 12.7839692438 10.4730808638 10.3636101426\nN 10.5744885680 10.5502232066 11.4518594519\nO 9.5796593260 10.8460356140 10.8033043730\nO 10.6860051311 10.1887849319 12.5991447755\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 3336.2 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 22.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 3347.6 secs\n\n total energy = -1655.77131866 Ry\n estimated scf accuracy < 0.00777827 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.90E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 3351.8 secs\n\n total energy = -1655.76946797 Ry\n estimated scf accuracy < 0.39007680 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.90E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3355.9 secs\n\n total energy = -1655.77217889 Ry\n estimated scf accuracy < 0.00057067 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.13E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 3360.6 secs\n\n total energy = -1655.77237548 Ry\n estimated scf accuracy < 0.00092244 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.13E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3364.8 secs\n\n total energy = -1655.77241699 Ry\n estimated scf accuracy < 0.00043369 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3369.1 secs\n\n total energy = -1655.77244216 Ry\n estimated scf accuracy < 0.00005305 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.98E-08, avg # of iterations = 14.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 3374.8 secs\n\n total energy = -1655.77253723 Ry\n estimated scf accuracy < 0.00014844 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.98E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 3379.2 secs\n\n total energy = -1655.77253722 Ry\n estimated scf accuracy < 0.00012730 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.98E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3383.4 secs\n\n total energy = -1655.77253190 Ry\n estimated scf accuracy < 0.00010058 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.98E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3387.7 secs\n\n total energy = -1655.77253255 Ry\n estimated scf accuracy < 0.00006012 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.98E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3391.9 secs\n\n total energy = -1655.77253331 Ry\n estimated scf accuracy < 0.00000516 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.92E-09, avg # of iterations = 14.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3397.5 secs\n\n total energy = -1655.77253988 Ry\n estimated scf accuracy < 0.00000629 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.92E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3401.8 secs\n\n total energy = -1655.77253908 Ry\n estimated scf accuracy < 0.00000345 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.29E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3406.4 secs\n\n total energy = -1655.77253986 Ry\n estimated scf accuracy < 0.00000230 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.59E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3410.7 secs\n\n total energy = -1655.77253996 Ry\n estimated scf accuracy < 0.00000083 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3415.8 secs\n\n total energy = -1655.77254048 Ry\n estimated scf accuracy < 0.00000056 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.08E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3420.2 secs\n\n total energy = -1655.77254054 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.69E-11, avg # of iterations = 14.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3425.6 secs\n\n total energy = -1655.77254066 Ry\n estimated scf accuracy < 0.00000017 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.69E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3429.9 secs\n\n total energy = -1655.77254068 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.83E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3435.0 secs\n\n total energy = -1655.77254072 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.21E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3439.4 secs\n\n total energy = -1655.77254073 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.72E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3443.7 secs\n\n total energy = -1655.77254074 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.72E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3448.2 secs\n\n total energy = -1655.77254075 Ry\n estimated scf accuracy < 7.6E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.84E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3453.3 secs\n\n total energy = -1655.77254076 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.84E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3457.6 secs\n\n total energy = -1655.77254076 Ry\n estimated scf accuracy < 5.1E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.90E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3462.2 secs\n\n total energy = -1655.77254077 Ry\n estimated scf accuracy < 1.6E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.12E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3467.5 secs\n\n total energy = -1655.77254077 Ry\n estimated scf accuracy < 1.1E-09 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.20E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3471.9 secs\n\n total energy = -1655.77254078 Ry\n estimated scf accuracy < 3.7E-10 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.40E-13, avg # of iterations = 16.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3477.3 secs\n\n total energy = -1655.77254078 Ry\n estimated scf accuracy < 2.7E-10 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.01E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 3481.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9128 -32.8606 -32.8302 -32.7875 -32.6603 -32.5287 -32.1910 -32.0873\n -32.0271 -31.9731 -30.6983 -29.6759 -29.2684 -29.0825 -29.0526 -28.9041\n -28.8916 -28.8878 -28.7628 -28.6385 -28.4558 -28.3266 -28.1455 -28.0972\n -27.4689 -26.8574 -25.5720 -24.8147 -24.3931 -24.0353 -22.8461 -22.0094\n -20.7467 -19.2006 -18.7032 -18.2061 -18.0989 -17.4838 -17.4241 -17.3391\n -17.0954 -16.9292 -16.6001 -16.5581 -16.5310 -16.5070 -16.4181 -16.3796\n -15.7751 -15.7501 -15.5483 -15.3887 -15.2015 -15.1209 -15.0395 -14.8958\n -14.7820 -14.7676 -14.6533 -14.6092 -14.5490 -14.4920 -14.4635 -14.3695\n -14.3350 -14.3276 -14.3007 -14.2391 -14.2027 -14.1487 -14.0585 -13.9947\n -13.9795 -13.9304 -13.9029 -13.8378 -13.8009 -13.7767 -13.7246 -13.6902\n -13.6312 -13.5807 -13.2245 -13.0762 -12.7465 -12.4459 -12.1715 -12.0849\n -11.8009 -11.4996 -11.4308 -11.3640 -10.9546 -10.7975 -10.4569 -10.0370\n -9.9277 -9.8118 -9.7859 -9.6908 -9.6407 -9.6309 -9.5975 -9.5574\n -9.5516 -9.3986 -9.3698 -9.3517 -9.3035 -9.2592 -9.1988 -9.1079\n -9.0460 -9.0039 -8.9549 -8.9086 -8.8268 -8.7863 -8.6737 -8.5725\n -8.5021 -8.2584 -8.1496 -8.0966 -7.7366 -7.6300 -7.3600 -7.2348\n -6.9871 -6.8924 -6.4040 -6.3534 -6.3018 -6.0881 -6.0756 -5.8870\n -5.5671 -4.9278 -4.8199 -4.7439 -4.3751 -4.2275 -4.1469 -4.0904\n -4.0628 -3.9047 -3.8103 -3.6771 -3.6672 -3.6545 -3.6083 -3.5117\n -3.4316 -3.1742 -3.0884 -2.8496 -2.3925 -2.2596 -0.7585 -0.4021\n -0.1619\n\n the Fermi energy is -6.0818 ev\n\n! total energy = -1655.77254080 Ry\n total all-electron energy = -6224.604889 Ry\n estimated scf accuracy < 2.0E-10 Ry\n smearing contrib. (-TS) = -0.00559566 Ry\n internal energy E=F+TS = -1655.76694514 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18368.80748994 Ry\n hartree contribution = 9217.28011055 Ry\n xc contribution = -312.77413021 Ry\n ewald contribution = 8236.50822587 Ry\n DFT-D3 Dispersion = -0.16453929 Ry\n one-center paw contrib. = -427.80912212 Ry\n\n convergence has been achieved in 30 iterations\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00159849 0.00043209 -0.00133761\n atom 2 type 1 force = 0.00083265 0.00027982 -0.00221008\n atom 3 type 2 force = -0.00011197 -0.00124612 0.00041367\n atom 4 type 2 force = -0.00100105 -0.00075367 -0.00053165\n atom 5 type 1 force = -0.00065878 0.00142330 0.00086399\n atom 6 type 1 force = 0.00004960 -0.00169612 -0.00098167\n atom 7 type 2 force = -0.00044291 0.00034670 0.00019423\n atom 8 type 2 force = -0.00184274 -0.00143787 0.00108693\n atom 9 type 1 force = 0.00052387 -0.00143980 0.00128839\n atom 10 type 1 force = 0.00026665 -0.00039273 -0.00082444\n atom 11 type 2 force = 0.00077724 0.00017328 0.00132753\n atom 12 type 2 force = -0.00041352 -0.00025696 0.00111078\n atom 13 type 1 force = 0.00031941 0.00046766 -0.00076680\n atom 14 type 1 force = -0.00011626 0.00168632 0.00187305\n atom 15 type 1 force = -0.00202538 0.00229720 0.00239245\n atom 16 type 2 force = 0.00018421 -0.00087242 0.00009468\n atom 17 type 2 force = 0.00314787 -0.00113577 -0.00222718\n atom 18 type 1 force = 0.00172776 0.00030017 -0.00137193\n atom 19 type 1 force = 0.00037539 -0.00004851 0.00016503\n atom 20 type 2 force = -0.00175108 -0.00007763 -0.00057170\n atom 21 type 2 force = -0.00061595 0.00169632 -0.00017523\n atom 22 type 3 force = 0.00239197 0.00017668 -0.00078767\n atom 23 type 1 force = -0.00056015 0.00021751 -0.00002815\n atom 24 type 1 force = 0.00076302 0.00050268 -0.00047713\n atom 25 type 1 force = -0.00002891 -0.00009225 -0.00031810\n atom 26 type 1 force = 0.00022680 0.00066151 0.00024100\n atom 27 type 1 force = 0.00098179 -0.00228021 0.00166154\n atom 28 type 1 force = 0.00045930 0.00029584 -0.00132506\n atom 29 type 3 force = 0.00124813 0.00025364 0.00030897\n atom 30 type 1 force = 0.00041554 -0.00094106 0.00153548\n atom 31 type 1 force = -0.00132117 0.00149586 -0.00110982\n atom 32 type 2 force = -0.00140713 -0.00216303 -0.00252742\n atom 33 type 2 force = -0.00015429 0.00246560 0.00132299\n atom 34 type 1 force = -0.00114803 -0.00097310 -0.00190775\n atom 35 type 1 force = -0.00170171 0.00012003 -0.00104731\n atom 36 type 2 force = 0.00080623 0.00204387 0.00155493\n atom 37 type 2 force = 0.00031904 0.00068012 -0.00024850\n atom 38 type 1 force = -0.00022261 -0.00268736 0.00159265\n atom 39 type 1 force = 0.00096421 -0.00145629 -0.00060904\n atom 40 type 1 force = 0.00058923 0.00112891 0.00127118\n atom 41 type 2 force = 0.00001823 -0.00009998 -0.00092204\n atom 42 type 2 force = -0.00050718 -0.00168445 -0.00083077\n atom 43 type 1 force = 0.00045382 0.00048794 -0.00166745\n atom 44 type 1 force = 0.00026180 0.00144582 -0.00102340\n atom 45 type 2 force = 0.00153278 -0.00013618 0.00256875\n atom 46 type 2 force = 0.00099862 0.00031144 0.00075922\n atom 47 type 1 force = -0.00113900 0.00081305 0.00052254\n atom 48 type 1 force = -0.00052634 0.00008629 0.00019641\n atom 49 type 2 force = -0.00101457 -0.00013560 0.00063649\n atom 50 type 2 force = -0.00032593 -0.00028254 0.00084498\n\n Total force = 0.014118 Total SCF correction = 0.000031\n Energy error = 2.7E-04 Ry\n Gradient error = 3.1E-03 Ry/Bohr\n\n number of scf cycles = 73\n number of bfgs steps = 72\n\n energy old = -1655.7722689456 Ry\n energy new = -1655.7725408006 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0532682664 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8276300294 9.7004521652 9.3128673402\nN 10.5637746952 9.8539130636 8.1720828734\nO 9.5793068398 9.2110298506 8.5028100875\nO 10.6752225869 10.8217873935 7.4547951482\nN 13.1702435700 8.4369347685 9.2095446765\nN 12.3933765808 7.0463963910 10.5327673242\nO 12.2964295284 7.4576568930 11.6646376379\nO 12.2074078893 5.9880682825 9.9974768338\nN 14.4528586474 8.0275243387 9.6236123854\nN 15.2804257529 8.4335377095 6.8306439756\nO 14.7255448856 9.4397170275 6.4331409325\nO 15.9031693722 7.5579223008 6.2699369118\nN 15.1374983268 8.8293528018 10.3327604270\nN 16.4507527382 8.5275023035 10.3162786561\nN 16.7054999763 6.6149596184 9.9367603910\nO 17.4365602205 6.4066961414 9.0104779502\nO 16.0880509485 5.9295584585 10.7104649868\nN 17.2375609151 9.1654493033 11.1673221361\nN 17.4990540608 8.3462955202 12.8648090925\nO 17.9174267901 7.2142890510 12.7854133589\nO 17.1740795316 9.0454258161 13.7890236074\nC 18.4610673611 9.5108308972 10.5713714780\nN 19.5350127774 8.6073552158 9.8968070515\nN 19.5325301845 9.5922559953 8.6635207425\nN 20.6131310090 10.4372734164 9.3776460486\nN 19.5392047580 11.3288956148 10.0378768134\nN 19.5196271685 10.3455291151 11.2733256576\nN 20.6064485281 9.4968693196 10.5742065401\nC 18.4741873673 10.4377411825 9.3540272986\nN 17.2797858749 10.8539531828 8.7345755275\nN 17.4324360228 11.3953477781 7.0936765077\nO 17.0526480187 12.5341935701 6.9410105135\nO 17.8142170381 10.5365899480 6.3356705821\nN 16.4823755469 11.5563081249 9.5328838094\nN 16.8498609232 13.3993590832 9.9915806332\nO 16.2702906363 14.1793107115 9.2865625358\nO 17.5939360158 13.4874833111 10.9276968060\nN 15.1629043094 11.2954662627 9.4637913696\nN 14.4560380684 12.1064689071 10.1402952898\nN 15.2660926358 11.6037445059 12.9228804433\nO 16.0952967041 12.3306015143 13.4248788477\nO 14.4077723692 10.8765632666 13.3712116865\nN 13.1443501218 11.7239744930 10.4861104387\nN 12.4350365570 13.2008787597 9.0862336124\nO 12.5299997388 12.8762600234 7.9283423201\nO 12.1057002272 14.2060574197 9.6574881241\nN 12.7846059607 10.4682744767 10.3647623404\nN 10.5735381367 10.5415846140 11.4543961905\nO 9.5775716732 10.8372967328 10.8071002142\nO 10.6851534249 10.1847416178 12.6032455771\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 3491.4 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 5 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 3502.2 secs\n\n total energy = -1655.77198215 Ry\n estimated scf accuracy < 0.00381492 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.42E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 3506.4 secs\n\n total energy = -1655.77079675 Ry\n estimated scf accuracy < 0.23466341 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.42E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 3510.5 secs\n\n total energy = -1655.77243485 Ry\n estimated scf accuracy < 0.00075972 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.83E-07, avg # of iterations = 8.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 3515.0 secs\n\n total energy = -1655.77259537 Ry\n estimated scf accuracy < 0.00064238 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.40E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 3519.2 secs\n\n total energy = -1655.77264334 Ry\n estimated scf accuracy < 0.00018783 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.01E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 3524.3 secs\n\n total energy = -1655.77278970 Ry\n estimated scf accuracy < 0.00006243 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.33E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 3529.2 secs\n\n total energy = -1655.77281843 Ry\n estimated scf accuracy < 0.00002734 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 3534.1 secs\n\n total energy = -1655.77282914 Ry\n estimated scf accuracy < 0.00002525 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.42E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 3538.5 secs\n\n total energy = -1655.77282563 Ry\n estimated scf accuracy < 0.00001688 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.30E-09, avg # of iterations = 3.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 3542.8 secs\n\n total energy = -1655.77282823 Ry\n estimated scf accuracy < 0.00000700 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.61E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3547.5 secs\n\n total energy = -1655.77282975 Ry\n estimated scf accuracy < 0.00000173 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.45E-10, avg # of iterations = 14.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3553.4 secs\n\n total energy = -1655.77283221 Ry\n estimated scf accuracy < 0.00000297 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.45E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3557.7 secs\n\n total energy = -1655.77283216 Ry\n estimated scf accuracy < 0.00000096 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.60E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3562.2 secs\n\n total energy = -1655.77283229 Ry\n estimated scf accuracy < 0.00000040 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.50E-10, avg # of iterations = 14.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3567.4 secs\n\n total energy = -1655.77283256 Ry\n estimated scf accuracy < 0.00000015 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.42E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3572.5 secs\n\n total energy = -1655.77283266 Ry\n estimated scf accuracy < 0.00000011 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.12E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3577.1 secs\n\n total energy = -1655.77283268 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.11E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3581.9 secs\n\n total energy = -1655.77283271 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.11E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3586.7 secs\n\n total energy = -1655.77283273 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.58E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3591.3 secs\n\n total energy = -1655.77283274 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.82E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3595.8 secs\n\n total energy = -1655.77283275 Ry\n estimated scf accuracy < 4.1E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.52E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3600.9 secs\n\n total energy = -1655.77283276 Ry\n estimated scf accuracy < 7.2E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.52E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3605.3 secs\n\n total energy = -1655.77283276 Ry\n estimated scf accuracy < 1.6E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.87E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3609.8 secs\n\n total energy = -1655.77283276 Ry\n estimated scf accuracy < 3.7E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.87E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3614.1 secs\n\n total energy = -1655.77283277 Ry\n estimated scf accuracy < 4.9E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.82E-13, avg # of iterations = 16.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3619.7 secs\n\n total energy = -1655.77283277 Ry\n estimated scf accuracy < 3.3E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.23E-13, avg # of iterations = 4.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 3623.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9148 -32.8441 -32.8084 -32.7823 -32.6422 -32.5382 -32.1973 -32.0875\n -32.0181 -31.9749 -30.7045 -29.6728 -29.2690 -29.0899 -29.0375 -28.9088\n -28.8723 -28.8649 -28.7687 -28.6362 -28.4691 -28.3283 -28.1402 -28.0927\n -27.4704 -26.8557 -25.5744 -24.8214 -24.3995 -24.0383 -22.8461 -22.0153\n -20.7444 -19.1998 -18.7096 -18.2097 -18.0988 -17.4807 -17.4222 -17.3284\n -17.0928 -16.9312 -16.5991 -16.5631 -16.5283 -16.5050 -16.4164 -16.3797\n -15.7768 -15.7535 -15.5447 -15.3824 -15.2057 -15.1199 -15.0382 -14.8929\n -14.7805 -14.7572 -14.6468 -14.6121 -14.5465 -14.4809 -14.4603 -14.3758\n -14.3406 -14.3257 -14.3018 -14.2257 -14.1968 -14.1501 -14.0530 -14.0027\n -13.9860 -13.9305 -13.9028 -13.8312 -13.7918 -13.7772 -13.7280 -13.6906\n -13.6307 -13.5801 -13.2247 -13.0753 -12.7488 -12.4428 -12.1749 -12.0886\n -11.8010 -11.4999 -11.4323 -11.3690 -10.9564 -10.8024 -10.4548 -10.0408\n -9.9266 -9.8126 -9.7861 -9.6949 -9.6400 -9.6190 -9.5940 -9.5576\n -9.5500 -9.4069 -9.3737 -9.3521 -9.2978 -9.2623 -9.2002 -9.0970\n -9.0454 -9.0010 -8.9518 -8.9127 -8.8337 -8.7871 -8.6719 -8.5628\n -8.5024 -8.2582 -8.1470 -8.0979 -7.7367 -7.6326 -7.3606 -7.2365\n -6.9830 -6.8936 -6.3995 -6.3573 -6.3039 -6.0855 -6.0732 -5.8835\n -5.5657 -4.9290 -4.8315 -4.7546 -4.3828 -4.2298 -4.1487 -4.0955\n -4.0621 -3.8991 -3.8086 -3.6785 -3.6690 -3.6531 -3.6113 -3.5105\n -3.4305 -3.1760 -3.0875 -2.8523 -2.3924 -2.2588 -0.7623 -0.4020\n -0.1625\n\n the Fermi energy is -6.0793 ev\n\n! total energy = -1655.77283278 Ry\n total all-electron energy = -6224.605181 Ry\n estimated scf accuracy < 2.0E-10 Ry\n smearing contrib. (-TS) = -0.00559620 Ry\n internal energy E=F+TS = -1655.76723658 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18367.04962051 Ry\n hartree contribution = 9216.40555955 Ry\n xc contribution = -312.76776510 Ry\n ewald contribution = 8235.61816028 Ry\n DFT-D3 Dispersion = -0.16456790 Ry\n one-center paw contrib. = -427.80900290 Ry\n\n convergence has been achieved in 27 iterations\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00086342 0.00022325 -0.00058946\n atom 2 type 1 force = 0.00103888 -0.00010980 -0.00170612\n atom 3 type 2 force = -0.00007673 -0.00097270 0.00028493\n atom 4 type 2 force = -0.00072497 -0.00064280 -0.00072826\n atom 5 type 1 force = -0.00059676 0.00063624 0.00024406\n atom 6 type 1 force = -0.00063311 -0.00211264 0.00013222\n atom 7 type 2 force = -0.00018192 0.00043056 -0.00038998\n atom 8 type 2 force = -0.00143093 -0.00076100 0.00064734\n atom 9 type 1 force = 0.00022545 0.00003412 0.00206195\n atom 10 type 1 force = 0.00003087 -0.00019479 -0.00032918\n atom 11 type 2 force = 0.00087574 0.00009741 0.00116180\n atom 12 type 2 force = -0.00030154 -0.00036206 0.00080564\n atom 13 type 1 force = -0.00047794 0.00058497 -0.00096832\n atom 14 type 1 force = 0.00001841 0.00068835 0.00093678\n atom 15 type 1 force = -0.00143048 0.00126956 0.00279228\n atom 16 type 2 force = -0.00070040 -0.00068613 0.00070723\n atom 17 type 2 force = 0.00359556 0.00017069 -0.00329820\n atom 18 type 1 force = 0.00099064 -0.00027576 -0.00100586\n atom 19 type 1 force = -0.00030375 0.00113951 0.00007704\n atom 20 type 2 force = -0.00187199 0.00035161 0.00029589\n atom 21 type 2 force = 0.00011091 0.00021180 -0.00070508\n atom 22 type 3 force = 0.00166977 0.00019610 -0.00050438\n atom 23 type 1 force = -0.00020206 -0.00019581 0.00075348\n atom 24 type 1 force = 0.00045695 0.00082905 -0.00089043\n atom 25 type 1 force = 0.00002865 -0.00028429 -0.00021780\n atom 26 type 1 force = 0.00044307 0.00051049 0.00079685\n atom 27 type 1 force = 0.00107340 -0.00189149 0.00096322\n atom 28 type 1 force = 0.00042811 0.00039984 -0.00177918\n atom 29 type 3 force = 0.00064679 0.00038753 0.00032017\n atom 30 type 1 force = -0.00021570 0.00018569 0.00114121\n atom 31 type 1 force = -0.00133413 0.00080784 -0.00312298\n atom 32 type 2 force = -0.00056272 -0.00428192 -0.00179141\n atom 33 type 2 force = -0.00083663 0.00461473 0.00253578\n atom 34 type 1 force = -0.00049817 -0.00101788 -0.00129349\n atom 35 type 1 force = -0.00215379 -0.00027751 -0.00099344\n atom 36 type 2 force = 0.00134788 0.00157941 0.00184053\n atom 37 type 2 force = 0.00012365 0.00090444 -0.00075964\n atom 38 type 1 force = 0.00000332 -0.00224777 0.00156130\n atom 39 type 1 force = 0.00109144 -0.00092588 -0.00140076\n atom 40 type 1 force = 0.00045042 0.00098226 0.00025011\n atom 41 type 2 force = -0.00030978 -0.00034979 -0.00033175\n atom 42 type 2 force = -0.00011189 -0.00131768 -0.00039133\n atom 43 type 1 force = 0.00071699 0.00001985 -0.00050241\n atom 44 type 1 force = 0.00037101 0.00149433 -0.00047482\n atom 45 type 2 force = 0.00167521 -0.00049580 0.00102256\n atom 46 type 2 force = 0.00105126 0.00039843 0.00140249\n atom 47 type 1 force = -0.00188377 0.00047298 -0.00007622\n atom 48 type 1 force = -0.00088507 0.00056873 0.00055369\n atom 49 type 2 force = 0.00013517 -0.00033188 0.00022307\n atom 50 type 2 force = -0.00001193 -0.00045441 0.00073887\n\n Total force = 0.014193 Total SCF correction = 0.000036\n Energy error = 2.9E-04 Ry\n Gradient error = 4.6E-03 Ry/Bohr\n\n number of scf cycles = 74\n number of bfgs steps = 73\n\n energy old = -1655.7725408006 Ry\n energy new = -1655.7728327829 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0799023996 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8212497856 9.6899392065 9.3142517034\nN 10.5619729404 9.8431904438 8.1727592088\nO 9.5786106423 9.1967126942 8.4999530447\nO 10.6724771120 10.8159348623 7.4629151253\nN 13.1735903845 8.4296443929 9.2125655289\nN 12.3983724665 7.0372351505 10.5383534255\nO 12.2972158367 7.4549345943 11.6679528955\nO 12.2106919633 5.9753969178 10.0100811430\nN 14.4590949288 8.0239591217 9.6255696271\nN 15.2898664043 8.4288906497 6.8307091079\nO 14.7309136946 9.4331987300 6.4334077332\nO 15.9053589523 7.5485823169 6.2688408093\nN 15.1404990932 8.8287184891 10.3345829355\nN 16.4539930617 8.5350177236 10.3198999391\nN 16.7187804729 6.6207758705 9.9292052722\nO 17.4503171958 6.4225713444 9.0004292992\nO 16.1130156205 5.9243632957 10.7025155842\nN 17.2405926103 9.1780978252 11.1663058721\nN 17.5080157773 8.3567325987 12.8659542122\nO 17.9197234551 7.2228985062 12.7825913123\nO 17.1859571400 9.0570752946 13.7907047074\nC 18.4621177309 9.5228473910 10.5674463984\nN 19.5342905237 8.6182902940 9.8951028454\nN 19.5320203149 9.5987919781 8.6590174929\nN 20.6116628771 10.4471825565 9.3706958483\nN 19.5369918544 11.3405442946 10.0276662742\nN 19.5185501930 10.3598320099 11.2677720003\nN 20.6057691978 9.5103022076 10.5700688232\nC 18.4731451080 10.4456155209 9.3471981657\nN 17.2762605476 10.8564342878 8.7293688648\nN 17.4193892009 11.3976003963 7.0877211968\nO 17.0127643805 12.5267201931 6.9291253841\nO 17.8182525038 10.5434698519 6.3322412676\nN 16.4768638483 11.5574488672 9.5259851838\nN 16.8426174983 13.4017294100 9.9966914521\nO 16.2640305226 14.1856328571 9.2954581145\nO 17.5831040611 13.4844332020 10.9363732210\nN 15.1593355620 11.2920235537 9.4627227742\nN 14.4524033373 12.1007740272 10.1428933179\nN 15.2714831395 11.6039722761 12.9261008967\nO 16.1026014259 12.3329616397 13.4214432135\nO 14.4130276296 10.8789455800 13.3777691685\nN 13.1409767963 11.7179369034 10.4836590238\nN 12.4272861078 13.1947161858 9.0924814800\nO 12.5241054738 12.8665149393 7.9363766225\nO 12.0961034589 14.2010918783 9.6606097615\nN 12.7850876585 10.4613567258 10.3656687997\nN 10.5724540024 10.5298130840 11.4594591692\nO 9.5750665846 10.8264103985 10.8141080869\nO 10.6846219659 10.1784157207 12.6100283987\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 3633.5 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 32.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 3647.0 secs\n\n total energy = -1655.77233107 Ry\n estimated scf accuracy < 0.00727306 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.71E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 3651.1 secs\n\n total energy = -1655.77083707 Ry\n estimated scf accuracy < 0.29375421 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.71E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 3655.3 secs\n\n total energy = -1655.77282047 Ry\n estimated scf accuracy < 0.00161654 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.03E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 3659.4 secs\n\n total energy = -1655.77287744 Ry\n estimated scf accuracy < 0.00123282 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.60E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 3663.6 secs\n\n total energy = -1655.77294205 Ry\n estimated scf accuracy < 0.00027588 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.03E-07, avg # of iterations = 11.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 3668.7 secs\n\n total energy = -1655.77312388 Ry\n estimated scf accuracy < 0.00009838 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.67E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 3673.5 secs\n\n total energy = -1655.77316773 Ry\n estimated scf accuracy < 0.00005383 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.01E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 3678.0 secs\n\n total energy = -1655.77316736 Ry\n estimated scf accuracy < 0.00004471 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.67E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3682.3 secs\n\n total energy = -1655.77316588 Ry\n estimated scf accuracy < 0.00002732 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 3687.1 secs\n\n total energy = -1655.77317498 Ry\n estimated scf accuracy < 0.00001134 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.23E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3691.9 secs\n\n total energy = -1655.77317945 Ry\n estimated scf accuracy < 0.00000752 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.81E-09, avg # of iterations = 7.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3696.4 secs\n\n total energy = -1655.77318019 Ry\n estimated scf accuracy < 0.00000243 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.08E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3701.5 secs\n\n total energy = -1655.77318184 Ry\n estimated scf accuracy < 0.00000721 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.08E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3706.0 secs\n\n total energy = -1655.77318213 Ry\n estimated scf accuracy < 0.00000100 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.73E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 3710.8 secs\n\n total energy = -1655.77318228 Ry\n estimated scf accuracy < 0.00000139 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.73E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 3715.3 secs\n\n total energy = -1655.77318230 Ry\n estimated scf accuracy < 0.00000045 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.67E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 3719.9 secs\n\n total energy = -1655.77318237 Ry\n estimated scf accuracy < 0.00000023 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.51E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 3724.9 secs\n\n total energy = -1655.77318251 Ry\n estimated scf accuracy < 0.00000017 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.17E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3729.4 secs\n\n total energy = -1655.77318254 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.93E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3734.4 secs\n\n total energy = -1655.77318258 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.10E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3739.1 secs\n\n total energy = -1655.77318260 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.01E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3744.0 secs\n\n total energy = -1655.77318261 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.01E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3748.3 secs\n\n total energy = -1655.77318262 Ry\n estimated scf accuracy < 5.6E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.11E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3752.9 secs\n\n total energy = -1655.77318263 Ry\n estimated scf accuracy < 7.3E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.11E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3757.2 secs\n\n total energy = -1655.77318264 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.65E-13, avg # of iterations = 16.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3763.2 secs\n\n total energy = -1655.77318264 Ry\n estimated scf accuracy < 6.6E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.45E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3767.6 secs\n\n total energy = -1655.77318264 Ry\n estimated scf accuracy < 5.0E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.87E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 3772.2 secs\n\n total energy = -1655.77318265 Ry\n estimated scf accuracy < 3.0E-10 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.12E-13, avg # of iterations = 12.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 3776.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9203 -32.8293 -32.7937 -32.7796 -32.6218 -32.5492 -32.2034 -32.0785\n -32.0134 -31.9725 -30.7091 -29.6726 -29.2743 -29.0976 -29.0187 -28.9170\n -28.8565 -28.8406 -28.7793 -28.6361 -28.4836 -28.3230 -28.1426 -28.0785\n -27.4756 -26.8582 -25.5822 -24.8248 -24.4071 -24.0434 -22.8473 -22.0258\n -20.7449 -19.2012 -18.7194 -18.2154 -18.0985 -17.4753 -17.4200 -17.3147\n -17.0901 -16.9353 -16.6003 -16.5692 -16.5253 -16.5023 -16.4131 -16.3809\n -15.7801 -15.7572 -15.5402 -15.3744 -15.2083 -15.1189 -15.0367 -14.8909\n -14.7813 -14.7437 -14.6441 -14.6149 -14.5472 -14.4774 -14.4495 -14.3844\n -14.3485 -14.3237 -14.2983 -14.2112 -14.1908 -14.1552 -14.0454 -14.0115\n -13.9926 -13.9275 -13.8973 -13.8249 -13.7809 -13.7772 -13.7310 -13.6899\n -13.6285 -13.5785 -13.2270 -13.0748 -12.7544 -12.4408 -12.1812 -12.0960\n -11.8030 -11.5010 -11.4375 -11.3739 -10.9594 -10.8089 -10.4550 -10.0477\n -9.9265 -9.8132 -9.7861 -9.7011 -9.6414 -9.6057 -9.5884 -9.5607\n -9.5471 -9.4161 -9.3782 -9.3500 -9.2902 -9.2647 -9.2007 -9.0873\n -9.0419 -8.9990 -8.9495 -8.9177 -8.8398 -8.7855 -8.6694 -8.5524\n -8.5011 -8.2597 -8.1432 -8.0989 -7.7374 -7.6347 -7.3619 -7.2405\n -6.9793 -6.8939 -6.3929 -6.3631 -6.3058 -6.0823 -6.0699 -5.8773\n -5.5646 -4.9312 -4.8450 -4.7699 -4.3949 -4.2289 -4.1474 -4.0992\n -4.0569 -3.8923 -3.8096 -3.6833 -3.6692 -3.6522 -3.6164 -3.5085\n -3.4293 -3.1810 -3.0856 -2.8542 -2.3920 -2.2580 -0.7756 -0.4020\n -0.1636\n\n the Fermi energy is -6.0761 ev\n\n! total energy = -1655.77318266 Ry\n total all-electron energy = -6224.605530 Ry\n estimated scf accuracy < 1.4E-10 Ry\n smearing contrib. (-TS) = -0.00559572 Ry\n internal energy E=F+TS = -1655.76758694 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18365.25627650 Ry\n hartree contribution = 9215.51068622 Ry\n xc contribution = -312.76361376 Ry\n ewald contribution = 8234.71495938 Ry\n DFT-D3 Dispersion = -0.16461759 Ry\n one-center paw contrib. = -427.80872469 Ry\n\n convergence has been achieved in 29 iterations\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00030701 -0.00003346 0.00015918\n atom 2 type 1 force = 0.00101771 -0.00112948 -0.00058447\n atom 3 type 2 force = 0.00000007 -0.00056537 0.00026427\n atom 4 type 2 force = 0.00002748 0.00007470 -0.00134902\n atom 5 type 1 force = -0.00060744 -0.00030863 -0.00057546\n atom 6 type 1 force = -0.00121105 -0.00221220 0.00112150\n atom 7 type 2 force = 0.00011041 0.00041423 -0.00089761\n atom 8 type 2 force = -0.00097206 -0.00013809 0.00017728\n atom 9 type 1 force = -0.00087995 0.00092394 0.00250881\n atom 10 type 1 force = 0.00004920 -0.00036537 -0.00018057\n atom 11 type 2 force = 0.00127130 -0.00045059 0.00099639\n atom 12 type 2 force = -0.00075643 0.00037865 0.00081661\n atom 13 type 1 force = -0.00089227 0.00140507 -0.00038624\n atom 14 type 1 force = 0.00021829 -0.00045874 -0.00025998\n atom 15 type 1 force = 0.00006767 0.00016607 0.00237311\n atom 16 type 2 force = -0.00151865 -0.00014086 0.00109722\n atom 17 type 2 force = 0.00308274 0.00134213 -0.00338593\n atom 18 type 1 force = -0.00036180 -0.00111656 -0.00034958\n atom 19 type 1 force = -0.00121728 0.00260131 -0.00033954\n atom 20 type 2 force = -0.00171410 0.00021287 0.00116493\n atom 21 type 2 force = 0.00077919 -0.00098205 -0.00091225\n atom 22 type 3 force = 0.00100535 0.00047926 -0.00045844\n atom 23 type 1 force = 0.00041099 -0.00050216 0.00116185\n atom 24 type 1 force = -0.00004123 0.00106883 -0.00098422\n atom 25 type 1 force = -0.00002149 -0.00040736 -0.00007104\n atom 26 type 1 force = 0.00081137 0.00002725 0.00140508\n atom 27 type 1 force = 0.00130178 -0.00111126 -0.00004019\n atom 28 type 1 force = 0.00024715 0.00026192 -0.00206052\n atom 29 type 3 force = 0.00026496 0.00032879 0.00057489\n atom 30 type 1 force = -0.00075259 0.00149111 0.00039590\n atom 31 type 1 force = -0.00166894 0.00006561 -0.00502567\n atom 32 type 2 force = 0.00011926 -0.00536057 -0.00065463\n atom 33 type 2 force = -0.00101600 0.00570861 0.00323388\n atom 34 type 1 force = 0.00013841 -0.00092215 -0.00028168\n atom 35 type 1 force = -0.00213741 -0.00064375 -0.00024377\n atom 36 type 2 force = 0.00144998 0.00127788 0.00141997\n atom 37 type 2 force = -0.00001889 0.00078994 -0.00135897\n atom 38 type 1 force = -0.00003173 -0.00171364 0.00146161\n atom 39 type 1 force = 0.00128666 -0.00017131 -0.00265784\n atom 40 type 1 force = 0.00021035 0.00072732 -0.00087728\n atom 41 type 2 force = -0.00076382 -0.00067986 0.00038780\n atom 42 type 2 force = 0.00047578 -0.00077186 0.00006688\n atom 43 type 1 force = 0.00097980 -0.00039544 0.00130597\n atom 44 type 1 force = 0.00062101 0.00141330 0.00032383\n atom 45 type 2 force = 0.00159906 -0.00041595 -0.00053094\n atom 46 type 2 force = 0.00124809 0.00003155 0.00160499\n atom 47 type 1 force = -0.00288179 -0.00004875 -0.00065840\n atom 48 type 1 force = -0.00123238 0.00132948 0.00061558\n atom 49 type 2 force = 0.00146335 -0.00074116 -0.00027692\n atom 50 type 2 force = 0.00013284 -0.00073321 0.00076364\n\n Total force = 0.016120 Total SCF correction = 0.000027\n Energy error = 3.5E-04 Ry\n Gradient error = 5.7E-03 Ry/Bohr\n\n number of scf cycles = 75\n number of bfgs steps = 74\n\n energy old = -1655.7728327829 Ry\n energy new = -1655.7731826637 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0958585386 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8129512892 9.6773107769 9.3151233621\nN 10.5605525657 9.8286832014 8.1712474817\nO 9.5778179384 9.1782221585 8.4929190861\nO 10.6707727564 10.8074069599 7.4698938924\nN 13.1764551144 8.4208540009 9.2154211996\nN 12.4017642584 7.0245794560 10.5458411284\nO 12.2950360866 7.4509307411 11.6722168946\nO 12.2128497015 5.9588417007 10.0255439442\nN 14.4644645688 8.0198752057 9.6295489674\nN 15.3007859344 8.4229591583 6.8312354047\nO 14.7395480162 9.4263386608 6.4357794503\nO 15.9074013218 7.5376044852 6.2684245146\nN 15.1433103920 8.8295495349 10.3361673989\nN 16.4571443549 8.5424058368 10.3238530899\nN 16.7339425234 6.6268573274 9.9210732121\nO 17.4656832285 6.4401465781 8.9894189717\nO 16.1430841164 5.9168468291 10.6930776410\nN 17.2439740881 9.1910260027 11.1641859126\nN 17.5167779296 8.3696371183 12.8676487674\nO 17.9188606429 7.2324811497 12.7817050291\nO 17.1984817297 9.0713535884 13.7931663543\nC 18.4636734510 9.5359453619 10.5619893458\nN 19.5338546127 8.6306204494 9.8918869200\nN 19.5316555903 9.6081400119 8.6529941056\nN 20.6102272987 10.4589765860 9.3632536097\nN 19.5348248703 11.3535487544 10.0179356350\nN 19.5179323367 10.3741244160 11.2614009324\nN 20.6053938520 9.5251195563 10.5638729774\nC 18.4722573475 10.4551034113 9.3397565589\nN 17.2726198941 10.8601629156 8.7236968815\nN 17.4037614640 11.4002691502 7.0780815036\nO 16.9656328704 12.5162112156 6.9135907502\nO 17.8213528823 10.5527953431 6.3255904205\nN 16.4711062745 11.5591294776 9.5178444358\nN 16.8338918273 13.4057688320 10.0031362455\nO 16.2565423126 14.1947462635 9.3068906103\nO 17.5711380792 13.4836197002 10.9460557433\nN 15.1558836161 11.2877480753 9.4620078217\nN 14.4496347859 12.0946210103 10.1455287510\nN 15.2769006809 11.6053019288 12.9293524229\nO 16.1105664139 12.3349372777 13.4185436240\nO 14.4206089402 10.8799323109 13.3842157102\nN 13.1383371051 11.7106760430 10.4814529189\nN 12.4210330646 13.1906272660 9.1003028616\nO 12.5205456477 12.8570377086 7.9466551879\nO 12.0884633403 14.1983891130 9.6649184155\nN 12.7852710139 10.4536177858 10.3656266038\nN 10.5710861337 10.5173601646 11.4671224357\nO 9.5724944519 10.8163660254 10.8244080015\nO 10.6843443287 10.1708716335 12.6191985996\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 3786.5 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 34.0\n\n negative rho (up, down): 2.777E-02 0.000E+00\n\n total cpu time spent up to now is 3800.5 secs\n\n total energy = -1655.77308323 Ry\n estimated scf accuracy < 0.00513612 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.92E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 3804.6 secs\n\n total energy = -1655.77258113 Ry\n estimated scf accuracy < 0.07911657 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.92E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.774E-02 0.000E+00\n\n total cpu time spent up to now is 3808.7 secs\n\n total energy = -1655.77311183 Ry\n estimated scf accuracy < 0.00608734 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.92E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.777E-02 0.000E+00\n\n total cpu time spent up to now is 3812.9 secs\n\n total energy = -1655.77321375 Ry\n estimated scf accuracy < 0.00067183 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.51E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 3817.4 secs\n\n total energy = -1655.77332812 Ry\n estimated scf accuracy < 0.00017365 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.48E-08, avg # of iterations = 13.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 3822.8 secs\n\n total energy = -1655.77348980 Ry\n estimated scf accuracy < 0.00007201 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.69E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 3827.6 secs\n\n total energy = -1655.77351861 Ry\n estimated scf accuracy < 0.00005040 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.88E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 3832.2 secs\n\n total energy = -1655.77352220 Ry\n estimated scf accuracy < 0.00002535 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.46E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 3837.0 secs\n\n total energy = -1655.77353010 Ry\n estimated scf accuracy < 0.00000888 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.31E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 3842.0 secs\n\n total energy = -1655.77353592 Ry\n estimated scf accuracy < 0.00000333 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.24E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 3846.8 secs\n\n total energy = -1655.77353702 Ry\n estimated scf accuracy < 0.00000126 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.68E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3851.9 secs\n\n total energy = -1655.77353758 Ry\n estimated scf accuracy < 0.00000141 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.68E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3856.3 secs\n\n total energy = -1655.77353772 Ry\n estimated scf accuracy < 0.00000147 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.68E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 3860.5 secs\n\n total energy = -1655.77353766 Ry\n estimated scf accuracy < 0.00000045 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.66E-10, avg # of iterations = 13.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 3865.3 secs\n\n total energy = -1655.77353778 Ry\n estimated scf accuracy < 0.00000027 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 3870.1 secs\n\n total energy = -1655.77353791 Ry\n estimated scf accuracy < 0.00000029 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3874.4 secs\n\n total energy = -1655.77353794 Ry\n estimated scf accuracy < 0.00000009 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.31E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3879.3 secs\n\n total energy = -1655.77353798 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.82E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3884.9 secs\n\n total energy = -1655.77353800 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.82E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 3889.2 secs\n\n total energy = -1655.77353802 Ry\n estimated scf accuracy < 7.8E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.91E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3894.0 secs\n\n total energy = -1655.77353803 Ry\n estimated scf accuracy < 2.7E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.01E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 3899.3 secs\n\n total energy = -1655.77353804 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.37E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3903.8 secs\n\n total energy = -1655.77353804 Ry\n estimated scf accuracy < 1.3E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.94E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3908.2 secs\n\n total energy = -1655.77353804 Ry\n estimated scf accuracy < 9.7E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.63E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3912.8 secs\n\n total energy = -1655.77353804 Ry\n estimated scf accuracy < 4.3E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 3917.2 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9233 -32.8150 -32.7966 -32.7677 -32.6014 -32.5654 -32.2125 -32.0871\n -32.0103 -31.9610 -30.7174 -29.6704 -29.2788 -29.0978 -28.9953 -28.9115\n -28.8557 -28.8192 -28.7990 -28.6341 -28.4989 -28.3348 -28.1434 -28.0604\n -27.4803 -26.8594 -25.5886 -24.8273 -24.4158 -24.0474 -22.8492 -22.0316\n -20.7414 -19.1997 -18.7296 -18.2187 -18.0913 -17.4653 -17.4120 -17.2971\n -17.0860 -16.9389 -16.6017 -16.5730 -16.5238 -16.4998 -16.4084 -16.3817\n -15.7824 -15.7584 -15.5317 -15.3627 -15.2088 -15.1182 -15.0319 -14.8876\n -14.7814 -14.7254 -14.6461 -14.6131 -14.5511 -14.4738 -14.4327 -14.3963\n -14.3527 -14.3183 -14.2858 -14.1987 -14.1889 -14.1653 -14.0349 -14.0187\n -13.9986 -13.9321 -13.9040 -13.8209 -13.7765 -13.7694 -13.7327 -13.6887\n -13.6303 -13.5795 -13.2302 -13.0748 -12.7586 -12.4389 -12.1880 -12.1045\n -11.8063 -11.5024 -11.4447 -11.3761 -10.9624 -10.8142 -10.4575 -10.0546\n -9.9269 -9.8113 -9.7832 -9.7058 -9.6426 -9.5942 -9.5854 -9.5669\n -9.5411 -9.4235 -9.3827 -9.3548 -9.2806 -9.2623 -9.1949 -9.0820\n -9.0318 -8.9986 -8.9487 -8.9222 -8.8435 -8.7910 -8.6659 -8.5452\n -8.4962 -8.2613 -8.1383 -8.0969 -7.7397 -7.6344 -7.3621 -7.2447\n -6.9748 -6.8923 -6.3868 -6.3675 -6.3044 -6.0776 -6.0650 -5.8696\n -5.5654 -4.9349 -4.8578 -4.7893 -4.4108 -4.2232 -4.1427 -4.0969\n -4.0454 -3.8855 -3.8128 -3.6859 -3.6708 -3.6503 -3.6194 -3.5068\n -3.4288 -3.1893 -3.0836 -2.8546 -2.3947 -2.2600 -0.7936 -0.4015\n -0.1643\n\n the Fermi energy is -6.0713 ev\n\n! total energy = -1655.77353806 Ry\n total all-electron energy = -6224.605886 Ry\n estimated scf accuracy < 2.1E-10 Ry\n smearing contrib. (-TS) = -0.00559432 Ry\n internal energy E=F+TS = -1655.76794374 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18361.10671933 Ry\n hartree contribution = 9213.44147479 Ry\n xc contribution = -312.76222062 Ry\n ewald contribution = 8232.63259091 Ry\n DFT-D3 Dispersion = -0.16461382 Ry\n one-center paw contrib. = -427.80845568 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00157848 -0.00005888 0.00120414\n atom 2 type 1 force = 0.00088543 -0.00142317 0.00011804\n atom 3 type 2 force = 0.00051048 0.00012847 0.00034639\n atom 4 type 2 force = 0.00027488 0.00004038 -0.00138964\n atom 5 type 1 force = -0.00029168 -0.00107429 -0.00110189\n atom 6 type 1 force = -0.00159717 -0.00168873 0.00208713\n atom 7 type 2 force = 0.00041476 0.00008104 -0.00155333\n atom 8 type 2 force = -0.00052186 0.00035074 -0.00020698\n atom 9 type 1 force = -0.00176185 0.00222497 0.00317904\n atom 10 type 1 force = -0.00003078 -0.00067568 0.00134086\n atom 11 type 2 force = 0.00100051 0.00018553 0.00024812\n atom 12 type 2 force = -0.00047349 0.00007310 0.00002569\n atom 13 type 1 force = -0.00157619 0.00111673 -0.00012796\n atom 14 type 1 force = 0.00024936 -0.00134281 -0.00147486\n atom 15 type 1 force = 0.00199903 -0.00098533 0.00130826\n atom 16 type 2 force = -0.00197284 0.00086663 0.00095149\n atom 17 type 2 force = 0.00156539 0.00230592 -0.00231747\n atom 18 type 1 force = -0.00126033 -0.00150604 0.00015495\n atom 19 type 1 force = -0.00192634 0.00291614 -0.00027714\n atom 20 type 2 force = -0.00166549 0.00075921 0.00176515\n atom 21 type 2 force = 0.00140931 -0.00179457 -0.00143650\n atom 22 type 3 force = -0.00020398 -0.00000825 0.00032767\n atom 23 type 1 force = 0.00093812 -0.00076028 0.00094442\n atom 24 type 1 force = -0.00057446 0.00094629 -0.00092182\n atom 25 type 1 force = 0.00013518 -0.00019850 -0.00025942\n atom 26 type 1 force = 0.00112143 -0.00027816 0.00171749\n atom 27 type 1 force = 0.00126014 -0.00009711 -0.00082327\n atom 28 type 1 force = 0.00021812 -0.00027505 -0.00175216\n atom 29 type 3 force = -0.00039716 0.00062191 0.00048734\n atom 30 type 1 force = -0.00076454 0.00251175 -0.00042313\n atom 31 type 1 force = -0.00218949 -0.00085649 -0.00553846\n atom 32 type 2 force = 0.00013010 -0.00430437 0.00044524\n atom 33 type 2 force = -0.00032871 0.00496108 0.00270216\n atom 34 type 1 force = 0.00098049 -0.00083005 0.00092266\n atom 35 type 1 force = -0.00182077 -0.00064680 0.00078433\n atom 36 type 2 force = 0.00110117 0.00087314 0.00034218\n atom 37 type 2 force = -0.00002722 0.00014176 -0.00176456\n atom 38 type 1 force = 0.00033212 -0.00091609 0.00098428\n atom 39 type 1 force = 0.00031305 0.00037485 -0.00361134\n atom 40 type 1 force = -0.00004182 0.00041538 -0.00222320\n atom 41 type 2 force = -0.00072597 -0.00055248 0.00125743\n atom 42 type 2 force = 0.00056892 -0.00062845 0.00061942\n atom 43 type 1 force = 0.00118793 -0.00113689 0.00317974\n atom 44 type 1 force = 0.00111249 0.00059573 0.00131299\n atom 45 type 2 force = 0.00128807 0.00003262 -0.00223735\n atom 46 type 2 force = 0.00137245 -0.00019645 0.00165308\n atom 47 type 1 force = -0.00362863 -0.00011702 -0.00134843\n atom 48 type 1 force = -0.00107373 0.00212490 0.00071107\n atom 49 type 2 force = 0.00267719 -0.00126886 -0.00105364\n atom 50 type 2 force = 0.00022990 -0.00102745 0.00072179\n\n Total force = 0.017735 Total SCF correction = 0.000034\n Energy error = 3.6E-04 Ry\n Gradient error = 5.5E-03 Ry/Bohr\n\n number of scf cycles = 76\n number of bfgs steps = 75\n\n energy old = -1655.7731826637 Ry\n energy new = -1655.7735380591 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0860634976 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8060206797 9.6662316644 9.3166326212\nN 10.5598464995 9.8153831379 8.1679037294\nO 9.5775980200 9.1619278548 8.4852856186\nO 10.6692499476 10.7987420741 7.4731841545\nN 13.1786999794 8.4132471020 9.2163136674\nN 12.4051473526 7.0131006915 10.5530314220\nO 12.2926964126 7.4482370944 11.6754332002\nO 12.2175680313 5.9441822328 10.0389869358\nN 14.4686824568 8.0183619707 9.6322247051\nN 15.3104374721 8.4190018783 6.8360959000\nO 14.7477496160 9.4222732715 6.4410139771\nO 15.9067907306 7.5276485872 6.2704057414\nN 15.1453425319 8.8314584573 10.3355118473\nN 16.4602831686 8.5485043217 10.3251454848\nN 16.7477363822 6.6332452061 9.9138377437\nO 17.4773804981 6.4558771445 8.9785207779\nO 16.1683335100 5.9131469273 10.6836949953\nN 17.2459579693 9.2016640996 11.1616411806\nN 17.5228497719 8.3824583581 12.8695624364\nO 17.9167351721 7.2427240008 12.7838131060\nO 17.2088561091 9.0853888499 13.7952899536\nC 18.4646190815 9.5472718948 10.5578622518\nN 19.5338263050 8.6408203431 9.8904319675\nN 19.5311733467 9.6158313987 8.6474461429\nN 20.6092216380 10.4688431917 9.3562536756\nN 19.5335788818 11.3649389049 10.0093925412\nN 19.5178287497 10.3873071067 11.2554974809\nN 20.6052288771 9.5383685442 10.5583225565\nC 18.4713319014 10.4634671410 9.3331517747\nN 17.2697464216 10.8642873541 8.7186460586\nN 17.3882620286 11.4018718798 7.0684802166\nO 16.9234837573 12.5054233674 6.9001287660\nO 17.8218514402 10.5610165896 6.3187498179\nN 16.4672432251 11.5598425423 9.5121607158\nN 16.8244562315 13.4076274085 10.0091239486\nO 16.2498628107 14.2003884823 9.3152006288\nO 17.5583992812 13.4831301978 10.9551222536\nN 15.1539779028 11.2832237313 9.4628968506\nN 14.4480319013 12.0879112623 10.1487515881\nN 15.2806209813 11.6058818453 12.9283737372\nO 16.1157304741 12.3363431158 13.4139637441\nO 14.4276848098 10.8782746327 13.3874894304\nN 13.1376146310 11.7022850492 10.4831141690\nN 12.4188269906 13.1866731679 9.1082795378\nO 12.5205666887 12.8491669835 7.9559609631\nO 12.0858711588 14.1955763161 9.6710679749\nN 12.7836794919 10.4467237621 10.3650692364\nN 10.5701801828 10.5082224200 11.4752318273\nO 9.5714093929 10.8087088286 10.8334301813\nO 10.6844221490 10.1634458721 12.6276724974\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 3927.3 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 31.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 3940.9 secs\n\n total energy = -1655.77342467 Ry\n estimated scf accuracy < 0.00396026 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.48E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 3945.0 secs\n\n total energy = -1655.77310577 Ry\n estimated scf accuracy < 0.05036347 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.48E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 3949.1 secs\n\n total energy = -1655.77344783 Ry\n estimated scf accuracy < 0.00505189 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.48E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 3953.3 secs\n\n total energy = -1655.77354899 Ry\n estimated scf accuracy < 0.00044582 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.66E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 3958.0 secs\n\n total energy = -1655.77376639 Ry\n estimated scf accuracy < 0.00023386 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.73E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 3962.4 secs\n\n total energy = -1655.77380796 Ry\n estimated scf accuracy < 0.00004363 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.63E-08, avg # of iterations = 13.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 3967.9 secs\n\n total energy = -1655.77385077 Ry\n estimated scf accuracy < 0.00003520 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.31E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 3972.2 secs\n\n total energy = -1655.77385195 Ry\n estimated scf accuracy < 0.00001137 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.24E-09, avg # of iterations = 18.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 3977.7 secs\n\n total energy = -1655.77386201 Ry\n estimated scf accuracy < 0.00000214 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.00E-10, avg # of iterations = 15.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 3983.7 secs\n\n total energy = -1655.77386515 Ry\n estimated scf accuracy < 0.00000181 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.74E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 3988.0 secs\n\n total energy = -1655.77386516 Ry\n estimated scf accuracy < 0.00000110 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.11E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3992.4 secs\n\n total energy = -1655.77386522 Ry\n estimated scf accuracy < 0.00000036 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.35E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 3997.3 secs\n\n total energy = -1655.77386539 Ry\n estimated scf accuracy < 0.00000068 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.35E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 4001.7 secs\n\n total energy = -1655.77386544 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.62E-11, avg # of iterations = 14.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 4006.8 secs\n\n total energy = -1655.77386553 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.61E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 4011.2 secs\n\n total energy = -1655.77386555 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.55E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 4016.0 secs\n\n total energy = -1655.77386558 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.42E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 4021.0 secs\n\n total energy = -1655.77386560 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.10E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 4025.9 secs\n\n total energy = -1655.77386561 Ry\n estimated scf accuracy < 4.6E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 4030.7 secs\n\n total energy = -1655.77386562 Ry\n estimated scf accuracy < 2.5E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.32E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 4035.6 secs\n\n total energy = -1655.77386562 Ry\n estimated scf accuracy < 1.3E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.77E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 4040.2 secs\n\n total energy = -1655.77386563 Ry\n estimated scf accuracy < 6.2E-10 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.29E-13, avg # of iterations = 5.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 4044.2 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9229 -32.8178 -32.8127 -32.7674 -32.6002 -32.5680 -32.2035 -32.0690\n -32.0112 -31.9580 -30.7168 -29.6778 -29.2886 -29.0918 -28.9896 -28.9077\n -28.8686 -28.8215 -28.8082 -28.6399 -28.4909 -28.3179 -28.1443 -28.0568\n -27.4903 -26.8689 -25.6003 -24.8223 -24.4198 -24.0501 -22.8531 -22.0370\n -20.7457 -19.2029 -18.7364 -18.2239 -18.0890 -17.4560 -17.4051 -17.2870\n -17.0848 -16.9427 -16.6061 -16.5736 -16.5218 -16.4988 -16.4077 -16.3857\n -15.7859 -15.7571 -15.5271 -15.3563 -15.2058 -15.1177 -15.0272 -14.8865\n -14.7824 -14.7191 -14.6502 -14.6158 -14.5582 -14.4737 -14.4309 -14.4004\n -14.3515 -14.3129 -14.2788 -14.1998 -14.1913 -14.1723 -14.0284 -14.0151\n -13.9924 -13.9242 -13.8925 -13.8187 -13.7754 -13.7666 -13.7301 -13.6868\n -13.6264 -13.5778 -13.2378 -13.0763 -12.7639 -12.4418 -12.1950 -12.1137\n -11.8109 -11.5063 -11.4522 -11.3760 -10.9645 -10.8175 -10.4640 -10.0625\n -9.9295 -9.8112 -9.7807 -9.7078 -9.6427 -9.5947 -9.5876 -9.5718\n -9.5394 -9.4203 -9.3846 -9.3479 -9.2758 -9.2589 -9.1891 -9.0856\n -9.0268 -9.0006 -8.9521 -8.9219 -8.8402 -8.7831 -8.6646 -8.5449\n -8.4965 -8.2661 -8.1355 -8.0962 -7.7446 -7.6322 -7.3624 -7.2479\n -6.9755 -6.8889 -6.3866 -6.3691 -6.3014 -6.0780 -6.0652 -5.8649\n -5.5697 -4.9381 -4.8639 -4.8021 -4.4226 -4.2119 -4.1383 -4.0905\n -4.0346 -3.8849 -3.8181 -3.6874 -3.6752 -3.6500 -3.6216 -3.5077\n -3.4301 -3.1952 -3.0808 -2.8529 -2.3965 -2.2602 -0.8122 -0.4014\n -0.1651\n\n the Fermi energy is -6.0716 ev\n\n! total energy = -1655.77386565 Ry\n total all-electron energy = -6224.606213 Ry\n estimated scf accuracy < 2.6E-10 Ry\n smearing contrib. (-TS) = -0.00559264 Ry\n internal energy E=F+TS = -1655.76827301 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18360.30385935 Ry\n hartree contribution = 9213.03903189 Ry\n xc contribution = -312.76388359 Ry\n ewald contribution = 8232.23333229 Ry\n DFT-D3 Dispersion = -0.16467134 Ry\n one-center paw contrib. = -427.80822290 Ry\n\n convergence has been achieved in 23 iterations\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00217675 0.00014188 0.00121354\n atom 2 type 1 force = 0.00060725 -0.00156533 0.00073365\n atom 3 type 2 force = 0.00053413 0.00047946 0.00057592\n atom 4 type 2 force = 0.00083604 0.00022071 -0.00153028\n atom 5 type 1 force = -0.00014060 -0.00111934 -0.00101425\n atom 6 type 1 force = -0.00136730 -0.00076345 0.00155069\n atom 7 type 2 force = 0.00045950 -0.00023237 -0.00116479\n atom 8 type 2 force = -0.00041118 0.00021182 -0.00024470\n atom 9 type 1 force = -0.00273466 0.00126308 0.00267563\n atom 10 type 1 force = 0.00029212 -0.00120547 0.00052614\n atom 11 type 2 force = 0.00143621 -0.00052570 0.00039518\n atom 12 type 2 force = -0.00128193 0.00131045 0.00061935\n atom 13 type 1 force = -0.00096669 0.00153070 0.00103742\n atom 14 type 1 force = -0.00014378 -0.00169486 -0.00205991\n atom 15 type 1 force = 0.00346070 -0.00086110 -0.00045728\n atom 16 type 2 force = -0.00168302 0.00167279 0.00037401\n atom 17 type 2 force = -0.00043175 0.00186317 -0.00007991\n atom 18 type 1 force = -0.00147686 -0.00140413 0.00063415\n atom 19 type 1 force = -0.00238808 0.00273993 -0.00065577\n atom 20 type 2 force = -0.00113609 -0.00010371 0.00150332\n atom 21 type 2 force = 0.00127521 -0.00082655 -0.00088656\n atom 22 type 3 force = -0.00071387 0.00002170 0.00033910\n atom 23 type 1 force = 0.00128777 -0.00033139 0.00003806\n atom 24 type 1 force = -0.00076358 0.00066481 -0.00018310\n atom 25 type 1 force = 0.00006980 -0.00003725 -0.00026967\n atom 26 type 1 force = 0.00113600 -0.00077221 0.00151492\n atom 27 type 1 force = 0.00119236 0.00040744 -0.00128756\n atom 28 type 1 force = 0.00030089 -0.00077568 -0.00123220\n atom 29 type 3 force = -0.00029182 0.00036022 0.00066744\n atom 30 type 1 force = -0.00015320 0.00265873 -0.00105725\n atom 31 type 1 force = -0.00234209 -0.00159638 -0.00485721\n atom 32 type 2 force = -0.00049011 -0.00225828 0.00097694\n atom 33 type 2 force = 0.00064521 0.00342981 0.00162376\n atom 34 type 1 force = 0.00091451 -0.00030305 0.00183137\n atom 35 type 1 force = -0.00092445 -0.00033593 0.00181928\n atom 36 type 2 force = 0.00045072 0.00067995 -0.00079522\n atom 37 type 2 force = -0.00004763 -0.00057028 -0.00202601\n atom 38 type 1 force = 0.00040158 -0.00075519 0.00021332\n atom 39 type 1 force = -0.00036273 0.00093162 -0.00376786\n atom 40 type 1 force = -0.00070086 -0.00018249 -0.00164384\n atom 41 type 2 force = -0.00107250 -0.00079530 0.00129248\n atom 42 type 2 force = 0.00147663 0.00017487 0.00014773\n atom 43 type 1 force = 0.00098572 -0.00129141 0.00409966\n atom 44 type 1 force = 0.00128977 0.00026890 0.00156696\n atom 45 type 2 force = 0.00082466 0.00088329 -0.00225381\n atom 46 type 2 force = 0.00163777 -0.00095780 0.00095813\n atom 47 type 1 force = -0.00384203 -0.00037301 -0.00111876\n atom 48 type 1 force = -0.00071071 0.00256607 0.00015645\n atom 49 type 2 force = 0.00287579 -0.00167424 -0.00133180\n atom 50 type 2 force = 0.00001045 -0.00116949 0.00083313\n\n Total force = 0.017100 Total SCF correction = 0.000039\n Energy error = 3.3E-04 Ry\n Gradient error = 4.9E-03 Ry/Bohr\n\n number of scf cycles = 77\n number of bfgs steps = 76\n\n energy old = -1655.7735380591 Ry\n energy new = -1655.7738656451 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0946698473 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8001282901 9.6549846060 9.3178336035\nN 10.5600463418 9.7994699819 8.1628555955\nO 9.5774109598 9.1434514175 8.4743053400\nO 10.6700019813 10.7875960029 7.4745656333\nN 13.1803703472 8.4050350386 9.2163224031\nN 12.4065467562 6.9994165075 10.5613277183\nO 12.2874648612 7.4445287648 11.6790828652\nO 12.2220651538 5.9267791150 10.0540693338\nN 14.4702467252 8.0164859051 9.6372582251\nN 15.3207056507 8.4142340158 6.8419566670\nO 14.7593006889 9.4184439611 6.4487083549\nO 15.9052839449 7.5175358292 6.2735026042\nN 15.1466043210 8.8351717905 10.3345475456\nN 16.4626541496 8.5531954104 10.3251278701\nN 16.7630278128 6.6387197319 9.9068320741\nO 17.4889484343 6.4715336763 8.9666766709\nO 16.1947621773 5.9084248869 10.6739443590\nN 17.2472281439 9.2110060140 11.1580844480\nN 17.5266901308 8.3969276442 12.8718868269\nO 17.9113618264 7.2533600463 12.7885874036\nO 17.2186330176 9.1013927794 13.7984730233\nC 18.4651962830 9.5582386378 10.5529495156\nN 19.5343047832 8.6512765654 9.8873448710\nN 19.5304559964 9.6252162539 8.6412113640\nN 20.6084679948 10.4792352428 9.3491594304\nN 19.5329092788 11.3758527617 10.0022066949\nN 19.5183714160 10.3995234624 11.2487111281\nN 20.6054420035 9.5510217428 10.5513235825\nC 18.4704574429 10.4726183319 9.3268044407\nN 17.2675122982 10.8705543072 8.7135018125\nN 17.3708331474 11.4034557710 7.0555473991\nO 16.8775317131 12.4927706076 6.8847002434\nO 17.8210815619 10.5707332285 6.3089738386\nN 16.4639136684 11.5614727862 9.5071582647\nN 16.8137023783 13.4113483675 10.0160807031\nO 16.2430969540 14.2083939548 9.3238531422\nO 17.5456119243 13.4845260484 10.9639376093\nN 15.1525394463 11.2781417925 9.4641926121\nN 14.4466591811 12.0820198026 10.1502098498\nN 15.2833357477 11.6075816168 12.9267504518\nO 16.1203730543 12.3367704560 13.4103833983\nO 14.4372753320 10.8747106363 13.3896266999\nN 13.1381168668 11.6923083950 10.4879514854\nN 12.4198038538 13.1846482113 9.1172683095\nO 12.5235800047 12.8435862598 7.9660399641\nO 12.0877045332 14.1946076000 9.6783975943\nN 12.7804986437 10.4393061793 10.3638992705\nN 10.5691417600 10.5004962194 11.4853231508\nO 9.5710210001 10.8023178757 10.8437603671\nO 10.6842730606 10.1552520188 12.6375859738\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.776E-02 0.000E+00\n\n total cpu time spent up to now is 4054.3 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 33.0\n\n negative rho (up, down): 2.773E-02 0.000E+00\n\n total cpu time spent up to now is 4068.2 secs\n\n total energy = -1655.77389859 Ry\n estimated scf accuracy < 0.00433590 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 4072.3 secs\n\n total energy = -1655.77364528 Ry\n estimated scf accuracy < 0.03952751 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.773E-02 0.000E+00\n\n total cpu time spent up to now is 4076.5 secs\n\n total energy = -1655.77388997 Ry\n estimated scf accuracy < 0.00731354 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.776E-02 0.000E+00\n\n total cpu time spent up to now is 4080.6 secs\n\n total energy = -1655.77398432 Ry\n estimated scf accuracy < 0.00069675 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.60E-07, avg # of iterations = 6.0\n\n negative rho (up, down): 2.777E-02 0.000E+00\n\n total cpu time spent up to now is 4085.0 secs\n\n total energy = -1655.77407372 Ry\n estimated scf accuracy < 0.00016266 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.07E-08, avg # of iterations = 14.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 4090.4 secs\n\n total energy = -1655.77424038 Ry\n estimated scf accuracy < 0.00005395 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.01E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.776E-02 0.000E+00\n\n total cpu time spent up to now is 4095.5 secs\n\n total energy = -1655.77427141 Ry\n estimated scf accuracy < 0.00004172 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.56E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 4099.9 secs\n\n total energy = -1655.77426849 Ry\n estimated scf accuracy < 0.00002744 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-08, avg # of iterations = 3.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 4104.4 secs\n\n total energy = -1655.77427345 Ry\n estimated scf accuracy < 0.00001606 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.99E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 4108.8 secs\n\n total energy = -1655.77427531 Ry\n estimated scf accuracy < 0.00000693 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.59E-09, avg # of iterations = 15.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 4114.1 secs\n\n total energy = -1655.77428099 Ry\n estimated scf accuracy < 0.00000609 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.27E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 4118.5 secs\n\n total energy = -1655.77428133 Ry\n estimated scf accuracy < 0.00000132 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.91E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4123.6 secs\n\n total energy = -1655.77428202 Ry\n estimated scf accuracy < 0.00000674 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.91E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 4128.0 secs\n\n total energy = -1655.77428217 Ry\n estimated scf accuracy < 0.00000118 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.39E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4132.4 secs\n\n total energy = -1655.77428207 Ry\n estimated scf accuracy < 0.00000099 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.71E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4136.6 secs\n\n total energy = -1655.77428205 Ry\n estimated scf accuracy < 0.00000106 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.71E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4140.9 secs\n\n total energy = -1655.77428205 Ry\n estimated scf accuracy < 0.00000026 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.61E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4145.7 secs\n\n total energy = -1655.77428216 Ry\n estimated scf accuracy < 0.00000009 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.28E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 4151.0 secs\n\n total energy = -1655.77428225 Ry\n estimated scf accuracy < 0.00000007 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.49E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 4155.3 secs\n\n total energy = -1655.77428225 Ry\n estimated scf accuracy < 0.00000009 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.49E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4159.6 secs\n\n total energy = -1655.77428225 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.77E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4164.2 secs\n\n total energy = -1655.77428225 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.77E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4168.5 secs\n\n total energy = -1655.77428225 Ry\n estimated scf accuracy < 5.8E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.18E-12, avg # of iterations = 13.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4174.1 secs\n\n total energy = -1655.77428225 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.18E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4178.5 secs\n\n total energy = -1655.77428226 Ry\n estimated scf accuracy < 2.2E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.18E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4183.2 secs\n\n total energy = -1655.77428225 Ry\n estimated scf accuracy < 1.9E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.19E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4187.6 secs\n\n total energy = -1655.77428225 Ry\n estimated scf accuracy < 3.6E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.33E-13, avg # of iterations = 15.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 4192.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9190 -32.8412 -32.8211 -32.7498 -32.6014 -32.5704 -32.2053 -32.0798\n -32.0052 -31.9614 -30.7179 -29.6812 -29.2913 -29.0801 -28.9866 -28.8963\n -28.8806 -28.8287 -28.8169 -28.6429 -28.4866 -28.3246 -28.1381 -28.0640\n -27.4950 -26.8717 -25.6060 -24.8176 -24.4202 -24.0500 -22.8566 -22.0341\n -20.7461 -19.2025 -18.7364 -18.2272 -18.0786 -17.4424 -17.3921 -17.2772\n -17.0791 -16.9427 -16.6082 -16.5693 -16.5203 -16.4980 -16.4094 -16.3892\n -15.7868 -15.7514 -15.5202 -15.3476 -15.2015 -15.1166 -15.0155 -14.8815\n -14.7821 -14.7115 -14.6488 -14.6196 -14.5633 -14.4638 -14.4307 -14.4026\n -14.3455 -14.3001 -14.2707 -14.2054 -14.1988 -14.1775 -14.0216 -14.0101\n -13.9891 -13.9254 -13.8991 -13.8173 -13.7758 -13.7672 -13.7309 -13.6887\n -13.6308 -13.5829 -13.2463 -13.0781 -12.7624 -12.4439 -12.2005 -12.1197\n -11.8149 -11.5115 -11.4570 -11.3721 -10.9637 -10.8166 -10.4705 -10.0672\n -9.9302 -9.8098 -9.7745 -9.7042 -9.6398 -9.5991 -9.5929 -9.5760\n -9.5370 -9.4144 -9.3844 -9.3492 -9.2708 -9.2517 -9.1772 -9.0907\n -9.0271 -8.9969 -8.9585 -8.9206 -8.8346 -8.7828 -8.6637 -8.5462\n -8.5009 -8.2687 -8.1340 -8.0947 -7.7525 -7.6264 -7.3605 -7.2482\n -6.9764 -6.8833 -6.3848 -6.3677 -6.2950 -6.0776 -6.0644 -5.8617\n -5.5779 -4.9413 -4.8677 -4.8142 -4.4351 -4.1981 -4.1321 -4.0782\n -4.0244 -3.8868 -3.8201 -3.6814 -3.6773 -3.6454 -3.6206 -3.5115\n -3.4340 -3.2000 -3.0774 -2.8495 -2.4024 -2.2638 -0.8196 -0.4009\n -0.1653\n\n the Fermi energy is -6.0710 ev\n\n! total energy = -1655.77428225 Ry\n total all-electron energy = -6224.606630 Ry\n estimated scf accuracy < 1.3E-10 Ry\n smearing contrib. (-TS) = -0.00558977 Ry\n internal energy E=F+TS = -1655.76869247 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18357.92947385 Ry\n hartree contribution = 9211.85819803 Ry\n xc contribution = -312.76699745 Ry\n ewald contribution = 8231.04240944 Ry\n DFT-D3 Dispersion = -0.16468134 Ry\n one-center paw contrib. = -427.80814731 Ry\n\n convergence has been achieved in 28 iterations\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00208459 0.00067806 0.00109033\n atom 2 type 1 force = 0.00024607 -0.00097558 0.00077734\n atom 3 type 2 force = 0.00077891 0.00095656 0.00090391\n atom 4 type 2 force = 0.00033339 -0.00023350 -0.00119997\n atom 5 type 1 force = 0.00042059 -0.00065775 -0.00019050\n atom 6 type 1 force = -0.00105355 0.00024549 0.00087695\n atom 7 type 2 force = 0.00047743 -0.00074467 -0.00089044\n atom 8 type 2 force = -0.00033008 0.00023023 -0.00008382\n atom 9 type 1 force = -0.00242280 0.00077941 0.00249170\n atom 10 type 1 force = 0.00023447 -0.00147305 0.00159278\n atom 11 type 2 force = 0.00065587 0.00086224 -0.00007039\n atom 12 type 2 force = -0.00050982 0.00015658 -0.00007210\n atom 13 type 1 force = -0.00095142 -0.00009964 0.00121700\n atom 14 type 1 force = -0.00030158 -0.00103580 -0.00174394\n atom 15 type 1 force = 0.00395938 -0.00067020 -0.00211067\n atom 16 type 2 force = -0.00116814 0.00244069 -0.00018350\n atom 17 type 2 force = -0.00209525 0.00144044 0.00204616\n atom 18 type 1 force = -0.00120710 -0.00088855 0.00044938\n atom 19 type 1 force = -0.00219594 0.00074447 0.00007943\n atom 20 type 2 force = -0.00112774 0.00058513 0.00086917\n atom 21 type 2 force = 0.00113403 0.00025549 -0.00133293\n atom 22 type 3 force = -0.00102668 -0.00051221 0.00087094\n atom 23 type 1 force = 0.00109531 0.00000513 -0.00111407\n atom 24 type 1 force = -0.00054295 0.00015046 0.00042331\n atom 25 type 1 force = 0.00039197 0.00032337 -0.00064378\n atom 26 type 1 force = 0.00095050 -0.00073672 0.00082783\n atom 27 type 1 force = 0.00081328 0.00048628 -0.00092765\n atom 28 type 1 force = 0.00046920 -0.00132009 -0.00024357\n atom 29 type 3 force = -0.00027178 0.00050300 0.00032275\n atom 30 type 1 force = 0.00064554 0.00237811 -0.00124001\n atom 31 type 1 force = -0.00264346 -0.00149685 -0.00236766\n atom 32 type 2 force = -0.00162877 0.00058171 0.00108638\n atom 33 type 2 force = 0.00225723 0.00057984 -0.00047493\n atom 34 type 1 force = 0.00091948 -0.00011845 0.00203823\n atom 35 type 1 force = -0.00002794 0.00009744 0.00217157\n atom 36 type 2 force = -0.00031113 0.00027566 -0.00188853\n atom 37 type 2 force = 0.00011969 -0.00129636 -0.00175065\n atom 38 type 1 force = 0.00054957 0.00002001 -0.00051152\n atom 39 type 1 force = -0.00169240 0.00028889 -0.00316456\n atom 40 type 1 force = -0.00052405 -0.00010662 -0.00146274\n atom 41 type 2 force = -0.00044789 -0.00018198 0.00132050\n atom 42 type 2 force = 0.00058391 -0.00055583 0.00009606\n atom 43 type 1 force = 0.00064460 -0.00146037 0.00390819\n atom 44 type 1 force = 0.00149389 -0.00072362 0.00135320\n atom 45 type 2 force = 0.00031198 0.00162142 -0.00213026\n atom 46 type 2 force = 0.00158381 -0.00086150 0.00069729\n atom 47 type 1 force = -0.00318383 -0.00003007 -0.00045866\n atom 48 type 1 force = 0.00020035 0.00255813 -0.00011101\n atom 49 type 2 force = 0.00236195 -0.00195843 -0.00171483\n atom 50 type 2 force = -0.00005273 -0.00110642 0.00057231\n\n Total force = 0.015450 Total SCF correction = 0.000028\n Energy error = 4.2E-04 Ry\n Gradient error = 4.0E-03 Ry/Bohr\n\n number of scf cycles = 78\n number of bfgs steps = 77\n\n energy old = -1655.7738656451 Ry\n energy new = -1655.7742822456 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.1420047710 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7940969439 9.6390999075 9.3214326929\nN 10.5598720410 9.7776708285 8.1571444249\nO 9.5774297997 9.1189148976 8.4630755775\nO 10.6687936750 10.7725311358 7.4775460346\nN 13.1846030307 8.3930852864 9.2158370518\nN 12.4132362201 6.9817730716 10.5726762983\nO 12.2848835329 7.4413518359 11.6832019079\nO 12.2349263845 5.9035337578 10.0752648092\nN 14.4746948112 8.0151893233 9.6418821868\nN 15.3366702657 8.4092359851 6.8550480849\nO 14.7736094592 9.4134368451 6.4608123661\nO 15.9007347325 7.5020989944 6.2795726174\nN 15.1484021928 8.8392957567 10.3333991902\nN 16.4673549573 8.5626770633 10.3229931892\nN 16.7878232826 6.6498209929 9.8944610875\nO 17.5054877800 6.4971704061 8.9457983030\nO 16.2317357384 5.9084511109 10.6584436325\nN 17.2476825759 9.2269871276 11.1536029501\nN 17.5328456564 8.4191858451 12.8749711486\nO 17.9074148687 7.2722687840 12.7952347802\nO 17.2353760293 9.1267735344 13.8018108935\nC 18.4649715932 9.5769811623 10.5475347407\nN 19.5344736453 8.6674964714 9.8859081593\nN 19.5288716602 9.6362740342 8.6331155515\nN 20.6073131856 10.4937920572 9.3368147592\nN 19.5324130924 11.3930909675 9.9878702866\nN 19.5190145281 10.4227104355 11.2377594810\nN 20.6051924289 9.5714043845 10.5428406643\nC 18.4687858342 10.4862412686 9.3162748336\nN 17.2640463703 10.8804634009 8.7042878083\nN 17.3421022706 11.4048343812 7.0389573875\nO 16.8073457119 12.4746441074 6.8648954523\nO 17.8210279212 10.5834615203 6.2972842702\nN 16.4591182369 11.5617710543 9.5018440000\nN 16.7957696522 13.4126088582 10.0265589678\nO 16.2331493676 14.2142769284 9.3328488216\nO 17.5230354811 13.4824869610 10.9783730032\nN 15.1502701697 11.2693408167 9.4667380683\nN 14.4432130614 12.0703861870 10.1527341264\nN 15.2879412745 11.6075534182 12.9206102219\nO 16.1259765648 12.3383542148 13.4010100682\nO 14.4497072701 10.8692015295 13.3920110486\nN 13.1388186229 11.6750970143 10.4993221400\nN 12.4211926732 13.1757573168 9.1311756380\nO 12.5257774516 12.8328484883 7.9798050456\nO 12.0893102939 14.1868373532 9.6913560384\nN 12.7731790187 10.4273881361 10.3637776517\nN 10.5680749130 10.4892823963 11.4991621471\nO 9.5713257698 10.7884840145 10.8549996484\nO 10.6836010025 10.1420568902 12.6507224764\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.748E-02 0.000E+00\n\n total cpu time spent up to now is 4202.5 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 1 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 40.0\n\n negative rho (up, down): 2.760E-02 0.000E+00\n\n total cpu time spent up to now is 4218.4 secs\n\n total energy = -1655.77417378 Ry\n estimated scf accuracy < 0.01171752 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.37E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 4222.5 secs\n\n total energy = -1655.77294819 Ry\n estimated scf accuracy < 0.19827667 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.37E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4226.7 secs\n\n total energy = -1655.77398701 Ry\n estimated scf accuracy < 0.00824054 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.07E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 4230.8 secs\n\n total energy = -1655.77417261 Ry\n estimated scf accuracy < 0.00143533 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.36E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 4235.2 secs\n\n total energy = -1655.77440213 Ry\n estimated scf accuracy < 0.00042392 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.58E-07, avg # of iterations = 10.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4240.0 secs\n\n total energy = -1655.77460676 Ry\n estimated scf accuracy < 0.00010317 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.85E-08, avg # of iterations = 13.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4245.4 secs\n\n total energy = -1655.77468756 Ry\n estimated scf accuracy < 0.00009021 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.37E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 4249.7 secs\n\n total energy = -1655.77468075 Ry\n estimated scf accuracy < 0.00004981 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.86E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 4254.3 secs\n\n total energy = -1655.77469203 Ry\n estimated scf accuracy < 0.00001358 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.07E-09, avg # of iterations = 7.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 4259.4 secs\n\n total energy = -1655.77470040 Ry\n estimated scf accuracy < 0.00000447 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.67E-09, avg # of iterations = 11.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 4264.8 secs\n\n total energy = -1655.77470514 Ry\n estimated scf accuracy < 0.00000260 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.69E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 4269.1 secs\n\n total energy = -1655.77470524 Ry\n estimated scf accuracy < 0.00000117 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.36E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 4273.7 secs\n\n total energy = -1655.77470543 Ry\n estimated scf accuracy < 0.00000270 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.36E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 4278.1 secs\n\n total energy = -1655.77470549 Ry\n estimated scf accuracy < 0.00000042 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.58E-10, avg # of iterations = 13.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 4283.1 secs\n\n total energy = -1655.77470572 Ry\n estimated scf accuracy < 0.00000067 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.58E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 4287.7 secs\n\n total energy = -1655.77470578 Ry\n estimated scf accuracy < 0.00000022 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.22E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 4292.3 secs\n\n total energy = -1655.77470583 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.47E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 4297.1 secs\n\n total energy = -1655.77470589 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 4302.5 secs\n\n total energy = -1655.77470592 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.75E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 4306.9 secs\n\n total energy = -1655.77470593 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.23E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4311.3 secs\n\n total energy = -1655.77470595 Ry\n estimated scf accuracy < 8.4E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.15E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 4315.9 secs\n\n total energy = -1655.77470596 Ry\n estimated scf accuracy < 4.6E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 4321.1 secs\n\n total energy = -1655.77470596 Ry\n estimated scf accuracy < 8.1E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4325.5 secs\n\n total energy = -1655.77470597 Ry\n estimated scf accuracy < 1.6E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.91E-13, avg # of iterations = 13.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4330.5 secs\n\n total energy = -1655.77470597 Ry\n estimated scf accuracy < 3.6E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.91E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4334.9 secs\n\n total energy = -1655.77470598 Ry\n estimated scf accuracy < 8.6E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.20E-13, avg # of iterations = 12.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4339.4 secs\n\n total energy = -1655.77470598 Ry\n estimated scf accuracy < 4.1E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.54E-13, avg # of iterations = 13.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 4343.7 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9099 -32.8344 -32.8304 -32.7470 -32.6142 -32.5546 -32.1805 -32.0384\n -32.0048 -31.9726 -30.7116 -29.6966 -29.3020 -29.0670 -28.9993 -28.8991\n -28.8665 -28.8504 -28.8067 -28.6539 -28.4541 -28.2757 -28.1338 -28.0856\n -27.5081 -26.8860 -25.6209 -24.8103 -24.4195 -24.0501 -22.8640 -22.0359\n -20.7564 -19.2101 -18.7355 -18.2381 -18.0801 -17.4289 -17.3786 -17.2691\n -17.0762 -16.9451 -16.6159 -16.5648 -16.5179 -16.4956 -16.4178 -16.3987\n -15.7924 -15.7450 -15.5173 -15.3384 -15.1973 -15.1124 -15.0024 -14.8776\n -14.7767 -14.7125 -14.6455 -14.6223 -14.5673 -14.4611 -14.4399 -14.3932\n -14.3385 -14.2952 -14.2659 -14.2208 -14.2033 -14.1751 -14.0172 -13.9951\n -13.9713 -13.9012 -13.8694 -13.8161 -13.7793 -13.7758 -13.7241 -13.6869\n -13.6268 -13.5731 -13.2616 -13.0802 -12.7627 -12.4493 -12.2082 -12.1283\n -11.8197 -11.5233 -11.4607 -11.3704 -10.9623 -10.8169 -10.4792 -10.0769\n -9.9334 -9.8119 -9.7711 -9.7006 -9.6363 -9.6143 -9.5945 -9.5744\n -9.5406 -9.3991 -9.3838 -9.3266 -9.2711 -9.2470 -9.1708 -9.0994\n -9.0361 -8.9926 -8.9694 -8.9171 -8.8197 -8.7559 -8.6656 -8.5561\n -8.5107 -8.2752 -8.1355 -8.0983 -7.7650 -7.6214 -7.3592 -7.2466\n -6.9849 -6.8770 -6.3852 -6.3690 -6.2898 -6.0852 -6.0717 -5.8623\n -5.5923 -4.9459 -4.8721 -4.8255 -4.4481 -4.1809 -4.1325 -4.0711\n -4.0187 -3.8968 -3.8226 -3.6836 -3.6792 -3.6416 -3.6242 -3.5203\n -3.4409 -3.2018 -3.0727 -2.8465 -2.4073 -2.2637 -0.8247 -0.4014\n -0.1671\n\n the Fermi energy is -6.0785 ev\n\n! total energy = -1655.77470599 Ry\n total all-electron energy = -6224.607054 Ry\n estimated scf accuracy < 1.4E-10 Ry\n smearing contrib. (-TS) = -0.00558734 Ry\n internal energy E=F+TS = -1655.76911865 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18360.88069369 Ry\n hartree contribution = 9213.33685173 Ry\n xc contribution = -312.75854528 Ry\n ewald contribution = 8232.50630517 Ry\n DFT-D3 Dispersion = -0.16487727 Ry\n one-center paw contrib. = -427.80815931 Ry\n\n convergence has been achieved in 28 iterations\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00150737 0.00107328 0.00015379\n atom 2 type 1 force = 0.00002055 0.00046625 0.00049465\n atom 3 type 2 force = 0.00021151 0.00099604 0.00130554\n atom 4 type 2 force = 0.00065952 -0.00112537 -0.00063517\n atom 5 type 1 force = 0.00049221 0.00054023 0.00105695\n atom 6 type 1 force = -0.00055751 0.00122792 -0.00080466\n atom 7 type 2 force = 0.00033403 -0.00133579 -0.00001877\n atom 8 type 2 force = -0.00037125 0.00031430 0.00039551\n atom 9 type 1 force = -0.00226439 -0.00181939 0.00124742\n atom 10 type 1 force = 0.00067231 -0.00219213 -0.00155796\n atom 11 type 2 force = 0.00126816 -0.00026965 0.00107316\n atom 12 type 2 force = -0.00164304 0.00192588 0.00175425\n atom 13 type 1 force = 0.00063340 -0.00060149 0.00234357\n atom 14 type 1 force = -0.00101197 -0.00048209 -0.00117474\n atom 15 type 1 force = 0.00314567 0.00039953 -0.00354758\n atom 16 type 2 force = -0.00041318 0.00264829 -0.00046866\n atom 17 type 2 force = -0.00300764 0.00048488 0.00376276\n atom 18 type 1 force = -0.00024133 0.00010087 0.00051842\n atom 19 type 1 force = -0.00197381 -0.00061258 -0.00019306\n atom 20 type 2 force = -0.00057217 -0.00080875 -0.00027250\n atom 21 type 2 force = 0.00035590 0.00271932 -0.00042167\n atom 22 type 3 force = -0.00091392 -0.00042242 0.00024955\n atom 23 type 1 force = 0.00090638 0.00090705 -0.00228119\n atom 24 type 1 force = 0.00002704 -0.00025549 0.00141769\n atom 25 type 1 force = 0.00040520 0.00031654 -0.00039587\n atom 26 type 1 force = 0.00044433 -0.00102886 -0.00014408\n atom 27 type 1 force = 0.00035277 -0.00004765 -0.00064146\n atom 28 type 1 force = 0.00070585 -0.00143723 0.00044669\n atom 29 type 3 force = 0.00038108 0.00004834 0.00021173\n atom 30 type 1 force = 0.00132855 0.00180041 -0.00096564\n atom 31 type 1 force = -0.00232751 -0.00003167 -0.00200105\n atom 32 type 2 force = -0.00035755 -0.00246466 0.00113618\n atom 33 type 2 force = 0.00131177 0.00220429 -0.00001564\n atom 34 type 1 force = 0.00013674 0.00071426 0.00186466\n atom 35 type 1 force = 0.00119259 0.00055839 0.00203258\n atom 36 type 2 force = -0.00085700 -0.00023949 -0.00245228\n atom 37 type 2 force = 0.00011068 -0.00167870 -0.00164702\n atom 38 type 1 force = 0.00039131 -0.00015714 -0.00181213\n atom 39 type 1 force = -0.00222006 0.00025974 -0.00148484\n atom 40 type 1 force = -0.00137792 -0.00092143 0.00135176\n atom 41 type 2 force = -0.00096201 -0.00054674 0.00046742\n atom 42 type 2 force = 0.00179557 0.00053086 -0.00152119\n atom 43 type 1 force = -0.00024343 -0.00109404 0.00264547\n atom 44 type 1 force = 0.00091976 -0.00023619 0.00031031\n atom 45 type 2 force = -0.00016714 0.00241756 -0.00051544\n atom 46 type 2 force = 0.00192191 -0.00169988 -0.00011455\n atom 47 type 1 force = -0.00197102 -0.00039472 0.00113082\n atom 48 type 1 force = 0.00088404 0.00211005 -0.00100430\n atom 49 type 2 force = 0.00116434 -0.00208211 -0.00151039\n atom 50 type 2 force = -0.00022673 -0.00077865 0.00023095\n\n Total force = 0.015891 Total SCF correction = 0.000028\n Energy error = 4.2E-04 Ry\n Gradient error = 3.8E-03 Ry/Bohr\n\n number of scf cycles = 79\n number of bfgs steps = 78\n\n energy old = -1655.7742822456 Ry\n energy new = -1655.7747059910 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0343067334 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7901965921 9.6387751802 9.3212867713\nN 10.5633550711 9.7714776713 8.1472181814\nO 9.5804832002 9.1150346062 8.4557084616\nO 10.6722808703 10.7643454497 7.4659663682\nN 13.1838982739 8.3943540802 9.2152797647\nN 12.4082277650 6.9749761275 10.5739181846\nO 12.2782576884 7.4395976416 11.6813664929\nO 12.2280806426 5.8957232972 10.0804597983\nN 14.4684511886 8.0176126175 9.6504695609\nN 15.3363392904 8.4076456970 6.8630475254\nO 14.7830950268 9.4181854190 6.4725969440\nO 15.8947845558 7.5002744540 6.2870077875\nN 15.1470796907 8.8450925358 10.3341573362\nN 16.4660863583 8.5619864482 10.3209916983\nN 16.7911188202 6.6516215675 9.8958235162\nO 17.5028249477 6.5022734508 8.9430292569\nO 16.2359306242 5.9089337617 10.6585101372\nN 17.2482808100 9.2249489886 11.1507531338\nN 17.5251538558 8.4247458002 12.8754062881\nO 17.8918328429 7.2742382168 12.8021762514\nO 17.2325680208 9.1369651910 13.8001419292\nC 18.4663553971 9.5742191896 10.5459611288\nN 19.5369852197 8.6670532597 9.8792278032\nN 19.5301520665 9.6411561936 8.6312293004\nN 20.6096238599 10.4948936503 9.3364627804\nN 19.5363082965 11.3913112744 9.9937972785\nN 19.5232499933 10.4159374502 11.2372382470\nN 20.6079674323 9.5670359930 10.5380365313\nC 18.4708461313 10.4888037968 9.3175069894\nN 17.2670778826 10.8842670869 8.7055744390\nN 17.3348702725 11.4043483989 7.0288000898\nO 16.7970526582 12.4650885400 6.8586836215\nO 17.8175401338 10.5903269478 6.2871942064\nN 16.4605328785 11.5592928641 9.5042908654\nN 16.7901854739 13.4161503900 10.0286827826\nO 16.2320466072 14.2192751624 9.3329293030\nO 17.5220637834 13.4850173458 10.9760791133\nN 15.1525069735 11.2614290994 9.4691371530\nN 14.4434504214 12.0663614072 10.1478795806\nN 15.2829960895 11.6093726301 12.9154304166\nO 16.1214899838 12.3359003129 13.4005853114\nO 14.4554558486 10.8587533262 13.3840233342\nN 13.1425670655 11.6712279440 10.5059586842\nN 12.4349317876 13.1812088384 9.1374982687\nO 12.5405922189 12.8393287221 7.9856181785\nO 12.1053569373 14.1924983223 9.6976836586\nN 12.7618448339 10.4303457618 10.3607778633\nN 10.5701880141 10.4953978475 11.5058168230\nO 9.5752077514 10.7915343731 10.8585181443\nO 10.6849208955 10.1393339283 12.6548644483\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 4353.8 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 3 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.765E-02 0.000E+00\n\n total cpu time spent up to now is 4364.6 secs\n\n total energy = -1655.77319338 Ry\n estimated scf accuracy < 0.01043653 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.89E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 4368.7 secs\n\n total energy = -1655.77114062 Ry\n estimated scf accuracy < 0.47080897 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.89E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.764E-02 0.000E+00\n\n total cpu time spent up to now is 4372.9 secs\n\n total energy = -1655.77443695 Ry\n estimated scf accuracy < 0.00092047 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.43E-07, avg # of iterations = 10.0\n\n negative rho (up, down): 2.740E-02 0.000E+00\n\n total cpu time spent up to now is 4377.3 secs\n\n total energy = -1655.77460786 Ry\n estimated scf accuracy < 0.00083907 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.13E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.727E-02 0.000E+00\n\n total cpu time spent up to now is 4381.6 secs\n\n total energy = -1655.77465784 Ry\n estimated scf accuracy < 0.00086352 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.13E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.719E-02 0.000E+00\n\n total cpu time spent up to now is 4385.8 secs\n\n total energy = -1655.77469232 Ry\n estimated scf accuracy < 0.00013390 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.00E-08, avg # of iterations = 14.0\n\n negative rho (up, down): 2.718E-02 0.000E+00\n\n total cpu time spent up to now is 4391.3 secs\n\n total energy = -1655.77488571 Ry\n estimated scf accuracy < 0.00077151 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.00E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.721E-02 0.000E+00\n\n total cpu time spent up to now is 4395.6 secs\n\n total energy = -1655.77488625 Ry\n estimated scf accuracy < 0.00058840 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.00E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.729E-02 0.000E+00\n\n total cpu time spent up to now is 4400.0 secs\n\n total energy = -1655.77488328 Ry\n estimated scf accuracy < 0.00027251 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.00E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.740E-02 0.000E+00\n\n total cpu time spent up to now is 4404.2 secs\n\n total energy = -1655.77488314 Ry\n estimated scf accuracy < 0.00011526 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.30E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.751E-02 0.000E+00\n\n total cpu time spent up to now is 4408.5 secs\n\n total energy = -1655.77488585 Ry\n estimated scf accuracy < 0.00000404 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 18.0\n\n negative rho (up, down): 2.750E-02 0.000E+00\n\n total cpu time spent up to now is 4415.4 secs\n\n total energy = -1655.77490262 Ry\n estimated scf accuracy < 0.00000444 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.749E-02 0.000E+00\n\n total cpu time spent up to now is 4419.6 secs\n\n total energy = -1655.77490277 Ry\n estimated scf accuracy < 0.00000409 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.751E-02 0.000E+00\n\n total cpu time spent up to now is 4423.9 secs\n\n total energy = -1655.77490266 Ry\n estimated scf accuracy < 0.00000407 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.763E-02 0.000E+00\n\n total cpu time spent up to now is 4428.1 secs\n\n total energy = -1655.77490173 Ry\n estimated scf accuracy < 0.00000376 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.40E-09, avg # of iterations = 3.0\n\n negative rho (up, down): 2.764E-02 0.000E+00\n\n total cpu time spent up to now is 4432.5 secs\n\n total energy = -1655.77490204 Ry\n estimated scf accuracy < 0.00000078 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.91E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.765E-02 0.000E+00\n\n total cpu time spent up to now is 4437.4 secs\n\n total energy = -1655.77490239 Ry\n estimated scf accuracy < 0.00000075 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.79E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.768E-02 0.000E+00\n\n total cpu time spent up to now is 4441.8 secs\n\n total energy = -1655.77490231 Ry\n estimated scf accuracy < 0.00000064 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.38E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.771E-02 0.000E+00\n\n total cpu time spent up to now is 4446.2 secs\n\n total energy = -1655.77490231 Ry\n estimated scf accuracy < 0.00000024 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.00E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.772E-02 0.000E+00\n\n total cpu time spent up to now is 4451.0 secs\n\n total energy = -1655.77490243 Ry\n estimated scf accuracy < 0.00000023 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.49E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.774E-02 0.000E+00\n\n total cpu time spent up to now is 4455.3 secs\n\n total energy = -1655.77490242 Ry\n estimated scf accuracy < 0.00000028 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.49E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.776E-02 0.000E+00\n\n total cpu time spent up to now is 4459.5 secs\n\n total energy = -1655.77490239 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.81E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 4463.9 secs\n\n total energy = -1655.77490233 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.06E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 4468.6 secs\n\n total energy = -1655.77490228 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.27E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 4473.4 secs\n\n total energy = -1655.77490228 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 4477.8 secs\n\n total energy = -1655.77490225 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.07E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 4482.2 secs\n\n total energy = -1655.77490223 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.52E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 4486.7 secs\n\n total energy = -1655.77490221 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.09E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 4491.6 secs\n\n total energy = -1655.77490222 Ry\n estimated scf accuracy < 5.3E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.98E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 4496.3 secs\n\n total energy = -1655.77490222 Ry\n estimated scf accuracy < 3.8E-09 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.43E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 4500.7 secs\n\n total energy = -1655.77490221 Ry\n estimated scf accuracy < 1.8E-09 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.82E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 4505.3 secs\n\n total energy = -1655.77490220 Ry\n estimated scf accuracy < 2.1E-09 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.82E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4509.6 secs\n\n total energy = -1655.77490219 Ry\n estimated scf accuracy < 5.9E-10 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-13, avg # of iterations = 13.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 4514.7 secs\n\n total energy = -1655.77490218 Ry\n estimated scf accuracy < 4.4E-10 Ry\n\n iteration # 35 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-13, avg # of iterations = 4.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 4518.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9679 -32.8923 -32.8449 -32.7286 -32.6308 -32.5485 -32.1874 -32.0752\n -32.0178 -31.9858 -30.7076 -29.6949 -29.2946 -29.0562 -29.0117 -29.0001\n -28.8673 -28.8404 -28.7994 -28.6545 -28.4500 -28.3078 -28.1404 -28.1067\n -27.5069 -26.8798 -25.6193 -24.8060 -24.4101 -24.0431 -22.8629 -22.0251\n -20.7512 -19.2159 -18.7207 -18.2405 -18.0523 -17.4134 -17.3596 -17.2673\n -17.0665 -16.9389 -16.6133 -16.5541 -16.5202 -16.4973 -16.4242 -16.3988\n -15.7894 -15.7335 -15.5117 -15.3402 -15.1928 -15.1149 -14.9970 -14.8748\n -14.7940 -14.7169 -14.6442 -14.6349 -14.5734 -14.4591 -14.4383 -14.3856\n -14.3254 -14.2922 -14.2540 -14.2317 -14.2270 -14.1676 -14.0228 -13.9869\n -13.9705 -13.9142 -13.8947 -13.8254 -13.7923 -13.7826 -13.7264 -13.6925\n -13.6419 -13.5930 -13.2675 -13.0790 -12.7516 -12.4500 -12.2043 -12.1209\n -11.8219 -11.5267 -11.4558 -11.3616 -10.9546 -10.8075 -10.4879 -10.0762\n -9.9289 -9.8065 -9.7677 -9.6893 -9.6363 -9.6207 -9.6128 -9.5664\n -9.5383 -9.3895 -9.3760 -9.3385 -9.2753 -9.2430 -9.1629 -9.1005\n -9.0387 -8.9865 -8.9724 -8.9195 -8.8121 -8.7672 -8.6653 -8.5714\n -8.5138 -8.2682 -8.1326 -8.0947 -7.7670 -7.6079 -7.3452 -7.2355\n -6.9884 -6.8626 -6.3788 -6.3592 -6.2781 -6.0800 -6.0660 -5.8563\n -5.5989 -4.9343 -4.8568 -4.8219 -4.4422 -4.1667 -4.1110 -4.0434\n -4.0081 -3.8946 -3.8131 -3.6773 -3.6636 -3.6359 -3.6225 -3.5209\n -3.4371 -3.1972 -3.0609 -2.8346 -2.4053 -2.2609 -0.7978 -0.4006\n -0.1652\n\n the Fermi energy is -6.0730 ev\n\n! total energy = -1655.77490215 Ry\n total all-electron energy = -6224.607250 Ry\n estimated scf accuracy < 3.5E-10 Ry\n smearing contrib. (-TS) = -0.00558325 Ry\n internal energy E=F+TS = -1655.76931890 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18362.45276994 Ry\n hartree contribution = 9214.13325114 Ry\n xc contribution = -312.79150971 Ry\n ewald contribution = 8233.31434823 Ry\n DFT-D3 Dispersion = -0.16489528 Ry\n one-center paw contrib. = -427.80774335 Ry\n\n convergence has been achieved in 35 iterations\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00029956 0.00166821 -0.00035014\n atom 2 type 1 force = 0.00014017 -0.00023285 0.00167941\n atom 3 type 2 force = -0.00108473 0.00024908 0.00178085\n atom 4 type 2 force = 0.00083196 0.00082723 -0.00189644\n atom 5 type 1 force = 0.00051344 0.00096331 0.00212699\n atom 6 type 1 force = -0.00032761 0.00208413 -0.00203788\n atom 7 type 2 force = 0.00018213 -0.00067508 0.00197812\n atom 8 type 2 force = -0.00022469 -0.00070923 -0.00046391\n atom 9 type 1 force = -0.00028059 -0.00253682 0.00063492\n atom 10 type 1 force = -0.00087743 0.00006832 0.00186025\n atom 11 type 2 force = 0.00034575 0.00135390 0.00027010\n atom 12 type 2 force = 0.00080737 -0.00201457 -0.00095353\n atom 13 type 1 force = 0.00021267 -0.00270167 0.00209075\n atom 14 type 1 force = -0.00084237 0.00048339 -0.00023739\n atom 15 type 1 force = 0.00077740 0.00150401 -0.00327908\n atom 16 type 2 force = 0.00123465 0.00215171 -0.00174164\n atom 17 type 2 force = -0.00312190 -0.00031911 0.00452930\n atom 18 type 1 force = 0.00042482 0.00085538 0.00036276\n atom 19 type 1 force = -0.00104721 -0.00254895 0.00039805\n atom 20 type 2 force = -0.00069467 0.00000730 -0.00077770\n atom 21 type 2 force = 0.00005114 0.00357782 -0.00060510\n atom 22 type 3 force = -0.00010804 -0.00050484 -0.00016188\n atom 23 type 1 force = 0.00022182 0.00052075 -0.00262523\n atom 24 type 1 force = 0.00072379 -0.00043217 0.00080904\n atom 25 type 1 force = 0.00075102 0.00043528 -0.00028760\n atom 26 type 1 force = 0.00003903 -0.00014757 -0.00104679\n atom 27 type 1 force = -0.00019902 -0.00025550 0.00040208\n atom 28 type 1 force = 0.00061673 -0.00127218 0.00140523\n atom 29 type 3 force = 0.00041102 -0.00050248 -0.00008473\n atom 30 type 1 force = 0.00253120 -0.00015885 -0.00079152\n atom 31 type 1 force = 0.00287649 -0.00750210 0.00523194\n atom 32 type 2 force = -0.00984711 0.01488805 -0.00061737\n atom 33 type 2 force = 0.00559340 -0.00661369 -0.00483549\n atom 34 type 1 force = -0.00036009 0.00137279 0.00103639\n atom 35 type 1 force = 0.00125338 -0.00050791 0.00017915\n atom 36 type 2 force = -0.00169370 -0.00013888 -0.00287576\n atom 37 type 2 force = 0.00117004 -0.00115789 0.00074567\n atom 38 type 1 force = -0.00046672 0.00099575 -0.00232139\n atom 39 type 1 force = -0.00194234 -0.00083720 0.00049943\n atom 40 type 1 force = -0.00037782 -0.00018814 0.00088450\n atom 41 type 2 force = 0.00040928 0.00074897 0.00044340\n atom 42 type 2 force = -0.00056056 -0.00146057 -0.00098551\n atom 43 type 1 force = -0.00116882 -0.00041785 0.00045604\n atom 44 type 1 force = 0.00053934 -0.00086943 -0.00032722\n atom 45 type 2 force = -0.00050297 0.00214001 -0.00053018\n atom 46 type 2 force = 0.00136116 -0.00027826 0.00043274\n atom 47 type 1 force = 0.00008115 -0.00088459 0.00265947\n atom 48 type 1 force = 0.00125729 0.00087448 -0.00133958\n atom 49 type 2 force = -0.00007788 -0.00180323 -0.00104799\n atom 50 type 2 force = 0.00014904 -0.00009827 -0.00067555\n\n Total force = 0.027155 Total SCF correction = 0.000048\n Energy error = 2.0E-04 Ry\n Gradient error = 1.5E-02 Ry/Bohr\n\n number of scf cycles = 80\n number of bfgs steps = 79\n\n energy old = -1655.7747059910 Ry\n energy new = -1655.7749021549 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0754748134 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7907268339 9.6317598915 9.3233082344\nN 10.5625230272 9.7614300690 8.1478548113\nO 9.5794043116 9.1035582918 8.4534794568\nO 10.6718747368 10.7576886763 7.4707243295\nN 13.1872715456 8.3882049495 9.2161408146\nN 12.4132825302 6.9675450696 10.5789729597\nO 12.2788991387 7.4378238058 11.6839222168\nO 12.2373647886 5.8845054811 10.0912203658\nN 14.4714587029 8.0144320763 9.6524144942\nN 15.3452572047 8.4047188791 6.8673553759\nO 14.7897086419 9.4137924167 6.4766894137\nO 15.8937871403 7.4925698174 6.2885426241\nN 15.1482823223 8.8446102761 10.3356990211\nN 16.4682674127 8.5674299050 10.3199485506\nN 16.8048370698 6.6565355732 9.8881717373\nO 17.5126929005 6.5150371321 8.9311816706\nO 16.2540698055 5.9095535579 10.6509995972\nN 17.2479206962 9.2346360204 11.1493683763\nN 17.5290704293 8.4352014502 12.8769291171\nO 17.8933250903 7.2836164169 12.8038734030\nO 17.2426264136 9.1499947853 13.8019603088\nC 18.4651880724 9.5852877630 10.5429916897\nN 19.5362123844 8.6766278317 9.8780881520\nN 19.5288503418 9.6461372029 8.6278148508\nN 20.6086611990 10.5024059210 9.3296789499\nN 19.5352308187 11.4003953848 9.9841812062\nN 19.5224413266 10.4300753174 11.2307641860\nN 20.6070705959 9.5779802773 10.5347273167\nC 18.4695097668 10.4957662427 9.3114520416\nN 17.2652452582 10.8902355127 8.6998704474\nN 17.3209552005 11.4047353981 7.0222977326\nO 16.7587832559 12.4578572408 6.8498332591\nO 17.8193038841 10.5962451896 6.2831096251\nN 16.4572585174 11.5607590594 9.5019646283\nN 16.7819137549 13.4170505097 10.0336503915\nO 16.2273939352 14.2222715822 9.3363363987\nO 17.5108628979 13.4825713656 10.9838946612\nN 15.1499721743 11.2585480448 9.4686546752\nN 14.4396507895 12.0615413147 10.1483643734\nN 15.2864611111 11.6090155540 12.9147892881\nO 16.1256197013 12.3371647540 13.3964348835\nO 14.4617390442 10.8580594810 13.3868402480\nN 13.1410503282 11.6622817134 10.5123483183\nN 12.4328797513 13.1745199017 9.1432777246\nO 12.5374173273 12.8334580085 7.9909584454\nO 12.1036513223 14.1858114555 9.7033844382\nN 12.7593424035 10.4222338451 10.3634211373\nN 10.5692408252 10.4885495147 11.5109436117\nO 9.5744995419 10.7806411893 10.8618251747\nO 10.6836367713 10.1328071420 12.6601469991\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 4528.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 32.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 4541.6 secs\n\n total energy = -1655.77423937 Ry\n estimated scf accuracy < 0.00629158 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.35E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 4545.7 secs\n\n total energy = -1655.77249319 Ry\n estimated scf accuracy < 0.33398786 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.35E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4549.8 secs\n\n total energy = -1655.77478522 Ry\n estimated scf accuracy < 0.00120654 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.50E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4554.0 secs\n\n total energy = -1655.77483576 Ry\n estimated scf accuracy < 0.00054042 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.02E-07, avg # of iterations = 8.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4558.4 secs\n\n total energy = -1655.77493165 Ry\n estimated scf accuracy < 0.00022895 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.54E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4563.5 secs\n\n total energy = -1655.77508239 Ry\n estimated scf accuracy < 0.00006399 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.39E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4568.4 secs\n\n total energy = -1655.77511706 Ry\n estimated scf accuracy < 0.00003007 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.12E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4572.9 secs\n\n total energy = -1655.77511615 Ry\n estimated scf accuracy < 0.00001996 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.45E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4577.7 secs\n\n total energy = -1655.77512475 Ry\n estimated scf accuracy < 0.00000252 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.41E-10, avg # of iterations = 15.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 4583.6 secs\n\n total energy = -1655.77512914 Ry\n estimated scf accuracy < 0.00000188 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.02E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 4588.1 secs\n\n total energy = -1655.77512938 Ry\n estimated scf accuracy < 0.00000156 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.82E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 4592.4 secs\n\n total energy = -1655.77512944 Ry\n estimated scf accuracy < 0.00000227 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.82E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 4596.7 secs\n\n total energy = -1655.77512955 Ry\n estimated scf accuracy < 0.00000130 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.84E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 4600.9 secs\n\n total energy = -1655.77512961 Ry\n estimated scf accuracy < 0.00000019 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.00E-11, avg # of iterations = 15.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 4607.1 secs\n\n total energy = -1655.77513006 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.79E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 4611.5 secs\n\n total energy = -1655.77513008 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.27E-11, avg # of iterations = 15.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 4616.6 secs\n\n total energy = -1655.77513010 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.12E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 4621.3 secs\n\n total energy = -1655.77513011 Ry\n estimated scf accuracy < 6.5E-09 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.42E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4626.4 secs\n\n total energy = -1655.77513011 Ry\n estimated scf accuracy < 5.0E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.85E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4631.1 secs\n\n total energy = -1655.77513011 Ry\n estimated scf accuracy < 2.0E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.34E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4636.1 secs\n\n total energy = -1655.77513011 Ry\n estimated scf accuracy < 1.1E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.16E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4640.4 secs\n\n total energy = -1655.77513011 Ry\n estimated scf accuracy < 5.9E-10 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.22E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4645.2 secs\n\n total energy = -1655.77513012 Ry\n estimated scf accuracy < 2.6E-10 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 4649.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9044 -32.8704 -32.8365 -32.7189 -32.6207 -32.5460 -32.1946 -32.0674\n -32.0217 -31.9806 -30.7089 -29.6931 -29.2901 -29.0500 -29.0125 -28.9513\n -28.8584 -28.8337 -28.7940 -28.6513 -28.4560 -28.2951 -28.1416 -28.1089\n -27.5023 -26.8758 -25.6167 -24.8104 -24.4095 -24.0419 -22.8621 -22.0245\n -20.7501 -19.2137 -18.7174 -18.2402 -18.0574 -17.4087 -17.3567 -17.2624\n -17.0623 -16.9365 -16.6128 -16.5563 -16.5213 -16.4943 -16.4281 -16.4000\n -15.7895 -15.7323 -15.5097 -15.3289 -15.1945 -15.1081 -14.9870 -14.8677\n -14.7757 -14.7092 -14.6377 -14.6255 -14.5679 -14.4530 -14.4331 -14.3825\n -14.3249 -14.2960 -14.2531 -14.2279 -14.2189 -14.1637 -14.0221 -13.9903\n -13.9745 -13.9060 -13.8863 -13.8281 -13.7971 -13.7824 -13.7269 -13.6915\n -13.6409 -13.5889 -13.2692 -13.0783 -12.7473 -12.4469 -12.2041 -12.1204\n -11.8204 -11.5286 -11.4542 -11.3625 -10.9524 -10.8065 -10.4845 -10.0757\n -9.9275 -9.8045 -9.7669 -9.6886 -9.6309 -9.6183 -9.6059 -9.5629\n -9.5414 -9.3926 -9.3765 -9.3310 -9.2765 -9.2402 -9.1660 -9.0982\n -9.0389 -8.9883 -8.9730 -8.9182 -8.8117 -8.7579 -8.6680 -8.5778\n -8.5148 -8.2667 -8.1354 -8.0986 -7.7693 -7.6086 -7.3462 -7.2329\n -6.9908 -6.8633 -6.3805 -6.3578 -6.2770 -6.0822 -6.0682 -5.8602\n -5.6055 -4.9399 -4.8649 -4.8260 -4.4501 -4.1684 -4.1222 -4.0512\n -4.0146 -3.8988 -3.8102 -3.6780 -3.6648 -3.6323 -3.6237 -3.5254\n -3.4423 -3.1964 -3.0617 -2.8369 -2.4092 -2.2651 -0.7869 -0.4010\n -0.1658\n\n the Fermi energy is -6.0752 ev\n\n! total energy = -1655.77513013 Ry\n total all-electron energy = -6224.607478 Ry\n estimated scf accuracy < 1.8E-10 Ry\n smearing contrib. (-TS) = -0.00558255 Ry\n internal energy E=F+TS = -1655.76954758 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18363.46629059 Ry\n hartree contribution = 9214.65228436 Ry\n xc contribution = -312.76953804 Ry\n ewald contribution = 8233.78706532 Ry\n DFT-D3 Dispersion = -0.16499966 Ry\n one-center paw contrib. = -427.80806898 Ry\n\n convergence has been achieved in 24 iterations\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00002652 0.00131141 -0.00018735\n atom 2 type 1 force = -0.00017374 0.00057848 0.00116168\n atom 3 type 2 force = -0.00048377 0.00082168 0.00156576\n atom 4 type 2 force = 0.00021048 -0.00037218 -0.00116262\n atom 5 type 1 force = 0.00032966 0.00117845 0.00234891\n atom 6 type 1 force = -0.00073105 0.00149305 -0.00168186\n atom 7 type 2 force = 0.00029357 -0.00109931 0.00117851\n atom 8 type 2 force = -0.00005340 0.00050100 -0.00009267\n atom 9 type 1 force = 0.00040913 -0.00225113 0.00080373\n atom 10 type 1 force = -0.00044070 -0.00075159 0.00108036\n atom 11 type 2 force = -0.00000534 0.00194621 0.00044876\n atom 12 type 2 force = 0.00066395 -0.00184711 -0.00040805\n atom 13 type 1 force = 0.00018446 -0.00332364 0.00156474\n atom 14 type 1 force = -0.00040179 0.00086076 0.00040553\n atom 15 type 1 force = -0.00070002 0.00121918 -0.00228775\n atom 16 type 2 force = 0.00063744 0.00162943 -0.00063873\n atom 17 type 2 force = -0.00147242 0.00063331 0.00258566\n atom 18 type 1 force = 0.00050708 0.00072751 -0.00022552\n atom 19 type 1 force = -0.00059600 -0.00276236 0.00067514\n atom 20 type 2 force = -0.00117397 0.00082765 -0.00064987\n atom 21 type 2 force = 0.00014098 0.00298414 -0.00124666\n atom 22 type 3 force = -0.00001175 -0.00087984 0.00001957\n atom 23 type 1 force = 0.00002232 0.00033097 -0.00202840\n atom 24 type 1 force = 0.00098854 -0.00038111 0.00046919\n atom 25 type 1 force = 0.00086082 0.00027855 -0.00020899\n atom 26 type 1 force = -0.00000138 0.00001348 -0.00100018\n atom 27 type 1 force = -0.00029236 -0.00075645 0.00063614\n atom 28 type 1 force = 0.00066176 -0.00088563 0.00110967\n atom 29 type 3 force = 0.00052893 -0.00005363 -0.00045544\n atom 30 type 1 force = 0.00126393 0.00047806 0.00009290\n atom 31 type 1 force = -0.00086494 0.00055733 0.00301034\n atom 32 type 2 force = -0.00351926 0.00243790 0.00028300\n atom 33 type 2 force = 0.00331124 -0.00235670 -0.00283054\n atom 34 type 1 force = -0.00006577 0.00079740 -0.00018066\n atom 35 type 1 force = 0.00119218 0.00008330 -0.00050207\n atom 36 type 2 force = -0.00071615 -0.00128631 -0.00155954\n atom 37 type 2 force = 0.00046022 -0.00077894 -0.00021719\n atom 38 type 1 force = -0.00055872 0.00129596 -0.00206322\n atom 39 type 1 force = -0.00172203 -0.00157839 0.00098712\n atom 40 type 1 force = 0.00027326 0.00039815 0.00085785\n atom 41 type 2 force = 0.00028389 0.00068121 0.00040925\n atom 42 type 2 force = -0.00118963 -0.00203811 -0.00077642\n atom 43 type 1 force = -0.00116863 -0.00039014 -0.00048545\n atom 44 type 1 force = 0.00025292 -0.00075120 -0.00098131\n atom 45 type 2 force = -0.00040119 0.00183355 -0.00038189\n atom 46 type 2 force = 0.00126698 0.00019227 0.00095537\n atom 47 type 1 force = 0.00082555 -0.00043450 0.00288969\n atom 48 type 1 force = 0.00121857 0.00035003 -0.00129273\n atom 49 type 2 force = -0.00048482 -0.00159430 -0.00113099\n atom 50 type 2 force = 0.00041447 0.00013217 -0.00086278\n\n Total force = 0.014799 Total SCF correction = 0.000031\n Energy error = 2.3E-04 Ry\n Gradient error = 3.5E-03 Ry/Bohr\n\n number of scf cycles = 81\n number of bfgs steps = 80\n\n energy old = -1655.7749021549 Ry\n energy new = -1655.7751301289 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0273101077 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7923230465 9.6311400597 9.3249750935\nN 10.5619393118 9.7602473325 8.1495006863\nO 9.5793095326 9.1033318242 8.4585192920\nO 10.6702017377 10.7566094620 7.4716675487\nN 13.1896979982 8.3875093154 9.2182162020\nN 12.4173155821 6.9677199796 10.5785839336\nO 12.2835532631 7.4384984698 11.6835207993\nO 12.2424907284 5.8831850751 10.0935508513\nN 14.4740464551 8.0127705902 9.6528422895\nN 15.3479415975 8.4047617191 6.8711849688\nO 14.7903398650 9.4132321772 6.4792515531\nO 15.8916578502 7.4895019406 6.2903732407\nN 15.1485116788 8.8415071277 10.3397058253\nN 16.4692030318 8.5718693786 10.3193142456\nN 16.8092395409 6.6611391734 9.8836937415\nO 17.5153478370 6.5217337052 8.9256932223\nO 16.2584406013 5.9157104378 10.6492195256\nN 17.2476495328 9.2395782254 11.1500313813\nN 17.5297780550 8.4381916317 12.8766017088\nO 17.8947292974 7.2876381525 12.8034988619\nO 17.2473745146 9.1571098285 13.7994348876\nC 18.4645629896 9.5900236540 10.5427976516\nN 19.5355873315 8.6802165583 9.8778504854\nN 19.5289429113 9.6463634913 8.6277033261\nN 20.6088914775 10.5041448285 9.3268341021\nN 19.5356793067 11.4035956220 9.9792958883\nN 19.5225197726 10.4360727568 11.2287244404\nN 20.6068628274 9.5811286589 10.5348992505\nC 18.4696077337 10.4980050097 9.3088886128\nN 17.2651953646 10.8925606703 8.6971239198\nN 17.3140811367 11.4042564627 7.0225645715\nO 16.7445210140 12.4555599429 6.8494234966\nO 17.8225784905 10.5980685952 6.2834336119\nN 16.4559540498 11.5591368753 9.5021495453\nN 16.7788630156 13.4144577561 10.0346212359\nO 16.2260370768 14.2186263599 9.3344407246\nO 17.5061863121 13.4789051642 10.9861936614\nN 15.1483850465 11.2555998735 9.4675113620\nN 14.4370530419 12.0564661563 10.1483263411\nN 15.2878311972 11.6069227995 12.9132181563\nO 16.1255293423 12.3383699014 13.3929854383\nO 14.4621509929 10.8566642458 13.3861598884\nN 13.1397051219 11.6587088079 10.5155282446\nN 12.4329026132 13.1690324989 9.1453575605\nO 12.5349980381 12.8309684966 7.9917563507\nO 12.1029365883 14.1796297172 9.7071470480\nN 12.7558882657 10.4195486986 10.3669456783\nN 10.5698514830 10.4867784231 11.5107513950\nO 9.5748969535 10.7723398709 10.8590292483\nO 10.6834024911 10.1305407568 12.6597606387\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 4659.4 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 4668.5 secs\n\n total energy = -1655.77385028 Ry\n estimated scf accuracy < 0.00800544 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.99E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.839E-02 0.000E+00\n\n total cpu time spent up to now is 4672.6 secs\n\n total energy = -1655.77151804 Ry\n estimated scf accuracy < 0.48848672 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.99E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.858E-02 0.000E+00\n\n total cpu time spent up to now is 4676.7 secs\n\n total energy = -1655.77500408 Ry\n estimated scf accuracy < 0.00028145 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.05E-07, avg # of iterations = 12.0\n\n negative rho (up, down): 2.858E-02 0.000E+00\n\n total cpu time spent up to now is 4682.0 secs\n\n total energy = -1655.77529270 Ry\n estimated scf accuracy < 0.00025591 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.55E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.855E-02 0.000E+00\n\n total cpu time spent up to now is 4686.3 secs\n\n total energy = -1655.77530291 Ry\n estimated scf accuracy < 0.00029620 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.55E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.850E-02 0.000E+00\n\n total cpu time spent up to now is 4690.5 secs\n\n total energy = -1655.77531216 Ry\n estimated scf accuracy < 0.00003562 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.33E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.839E-02 0.000E+00\n\n total cpu time spent up to now is 4696.1 secs\n\n total energy = -1655.77535830 Ry\n estimated scf accuracy < 0.00001810 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.75E-09, avg # of iterations = 3.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 4700.6 secs\n\n total energy = -1655.77535936 Ry\n estimated scf accuracy < 0.00003275 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.75E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 4704.9 secs\n\n total energy = -1655.77536072 Ry\n estimated scf accuracy < 0.00003297 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.75E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4709.2 secs\n\n total energy = -1655.77536147 Ry\n estimated scf accuracy < 0.00001430 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.34E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 4713.4 secs\n\n total energy = -1655.77536210 Ry\n estimated scf accuracy < 0.00002969 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.34E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 4717.7 secs\n\n total energy = -1655.77536265 Ry\n estimated scf accuracy < 0.00000027 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.97E-11, avg # of iterations = 39.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 4729.3 secs\n\n total energy = -1655.77536647 Ry\n estimated scf accuracy < 0.00000038 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.97E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 4733.6 secs\n\n total energy = -1655.77536641 Ry\n estimated scf accuracy < 0.00000031 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.97E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 4737.9 secs\n\n total energy = -1655.77536637 Ry\n estimated scf accuracy < 0.00000018 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.75E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 4742.2 secs\n\n total energy = -1655.77536636 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.97E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 4746.7 secs\n\n total energy = -1655.77536639 Ry\n estimated scf accuracy < 0.00000009 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.38E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 4751.0 secs\n\n total energy = -1655.77536638 Ry\n estimated scf accuracy < 0.00000015 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.38E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 4755.3 secs\n\n total energy = -1655.77536636 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.14E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 4759.6 secs\n\n total energy = -1655.77536633 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.21E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 4764.0 secs\n\n total energy = -1655.77536632 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.36E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 4768.8 secs\n\n total energy = -1655.77536632 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.59E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 4773.2 secs\n\n total energy = -1655.77536630 Ry\n estimated scf accuracy < 5.1E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.90E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 4778.0 secs\n\n total energy = -1655.77536627 Ry\n estimated scf accuracy < 3.5E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.30E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 4782.3 secs\n\n total energy = -1655.77536624 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.21E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 4786.9 secs\n\n total energy = -1655.77536623 Ry\n estimated scf accuracy < 2.4E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.21E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 4791.2 secs\n\n total energy = -1655.77536622 Ry\n estimated scf accuracy < 9.5E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.56E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 4795.7 secs\n\n total energy = -1655.77536621 Ry\n estimated scf accuracy < 3.1E-10 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.15E-13, avg # of iterations = 14.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 4801.1 secs\n\n total energy = -1655.77536621 Ry\n estimated scf accuracy < 2.3E-10 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4804.7 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8896 -32.8360 -32.8297 -32.7370 -32.6174 -32.5347 -32.1892 -32.0362\n -32.0284 -31.9792 -30.7062 -29.6934 -29.2895 -29.0556 -29.0230 -28.9115\n -28.8597 -28.8496 -28.7789 -28.6499 -28.4567 -28.2642 -28.1466 -28.1107\n -27.5013 -26.8764 -25.6172 -24.8147 -24.4092 -24.0389 -22.8581 -22.0280\n -20.7487 -19.2176 -18.7154 -18.2381 -18.0722 -17.4128 -17.3600 -17.2633\n -17.0632 -16.9360 -16.6131 -16.5622 -16.5245 -16.4908 -16.4316 -16.4013\n -15.7900 -15.7359 -15.5125 -15.3286 -15.1982 -15.1044 -14.9912 -14.8684\n -14.7677 -14.7090 -14.6381 -14.6191 -14.5678 -14.4566 -14.4377 -14.3748\n -14.3278 -14.3043 -14.2646 -14.2238 -14.2090 -14.1560 -14.0275 -13.9944\n -13.9745 -13.8916 -13.8650 -13.8313 -13.8018 -13.7818 -13.7257 -13.6891\n -13.6386 -13.5745 -13.2666 -13.0758 -12.7474 -12.4430 -12.2000 -12.1176\n -11.8182 -11.5259 -11.4515 -11.3662 -10.9515 -10.8068 -10.4801 -10.0762\n -9.9250 -9.8040 -9.7706 -9.6933 -9.6295 -9.6161 -9.5974 -9.5576\n -9.5465 -9.3977 -9.3773 -9.3180 -9.2811 -9.2451 -9.1772 -9.0922\n -9.0354 -8.9979 -8.9712 -8.9182 -8.8153 -8.7438 -8.6709 -8.5823\n -8.5163 -8.2631 -8.1369 -8.1017 -7.7636 -7.6125 -7.3472 -7.2289\n -6.9945 -6.8646 -6.3844 -6.3571 -6.2782 -6.0845 -6.0706 -5.8630\n -5.6062 -4.9377 -4.8653 -4.8210 -4.4428 -4.1754 -4.1321 -4.0589\n -4.0207 -3.8981 -3.8091 -3.6795 -3.6722 -3.6333 -3.6260 -3.5275\n -3.4418 -3.1905 -3.0616 -2.8386 -2.4060 -2.2626 -0.7763 -0.4017\n -0.1664\n\n the Fermi energy is -6.0776 ev\n\n! total energy = -1655.77536620 Ry\n total all-electron energy = -6224.607714 Ry\n estimated scf accuracy < 1.6E-10 Ry\n smearing contrib. (-TS) = -0.00558431 Ry\n internal energy E=F+TS = -1655.76978190 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18368.97952257 Ry\n hartree contribution = 9217.41360501 Ry\n xc contribution = -312.75770436 Ry\n ewald contribution = 8236.52711078 Ry\n DFT-D3 Dispersion = -0.16516672 Ry\n one-center paw contrib. = -427.80810402 Ry\n\n convergence has been achieved in 30 iterations\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00029622 0.00025663 0.00031598\n atom 2 type 1 force = 0.00006154 0.00138607 0.00076148\n atom 3 type 2 force = -0.00032852 0.00080401 0.00120547\n atom 4 type 2 force = 0.00082425 -0.00131729 -0.00061982\n atom 5 type 1 force = -0.00055202 0.00069262 0.00168975\n atom 6 type 1 force = -0.00105818 0.00106059 -0.00114330\n atom 7 type 2 force = 0.00026620 -0.00082722 0.00112106\n atom 8 type 2 force = 0.00000726 0.00071080 -0.00049302\n atom 9 type 1 force = -0.00003632 -0.00220433 0.00049022\n atom 10 type 1 force = -0.00018386 -0.00104943 -0.00124169\n atom 11 type 2 force = 0.00093081 0.00024265 0.00128004\n atom 12 type 2 force = -0.00053648 0.00013620 0.00105678\n atom 13 type 1 force = 0.00086152 -0.00155577 0.00158388\n atom 14 type 1 force = -0.00013861 0.00012630 0.00024186\n atom 15 type 1 force = -0.00238439 0.00167853 0.00013131\n atom 16 type 2 force = 0.00073272 0.00056246 -0.00071784\n atom 17 type 2 force = 0.00017519 0.00087389 0.00042356\n atom 18 type 1 force = 0.00046188 0.00035981 -0.00020475\n atom 19 type 1 force = -0.00039169 -0.00043394 -0.00049330\n atom 20 type 2 force = -0.00108291 -0.00055769 -0.00012628\n atom 21 type 2 force = 0.00002610 0.00229383 -0.00039340\n atom 22 type 3 force = 0.00027780 -0.00064378 -0.00065274\n atom 23 type 1 force = 0.00025159 -0.00006127 -0.00072082\n atom 24 type 1 force = 0.00079682 0.00003567 -0.00017499\n atom 25 type 1 force = 0.00058616 -0.00014184 0.00040925\n atom 26 type 1 force = -0.00011041 -0.00019877 -0.00041221\n atom 27 type 1 force = -0.00038051 -0.00085237 0.00014813\n atom 28 type 1 force = 0.00036097 -0.00016327 0.00014193\n atom 29 type 3 force = 0.00049758 -0.00021024 -0.00043738\n atom 30 type 1 force = 0.00026422 0.00040547 0.00060896\n atom 31 type 1 force = 0.00085207 0.00088114 -0.00068498\n atom 32 type 2 force = -0.00089890 -0.00337471 0.00031036\n atom 33 type 2 force = -0.00054951 0.00316710 0.00117634\n atom 34 type 1 force = -0.00041469 0.00091783 -0.00069009\n atom 35 type 1 force = 0.00077507 -0.00052965 -0.00117327\n atom 36 type 2 force = -0.00011259 -0.00113373 -0.00060315\n atom 37 type 2 force = 0.00021394 -0.00008502 -0.00057392\n atom 38 type 1 force = -0.00053921 0.00046994 -0.00185725\n atom 39 type 1 force = -0.00049566 -0.00049114 0.00141349\n atom 40 type 1 force = -0.00021866 0.00001871 0.00125781\n atom 41 type 2 force = -0.00064703 -0.00015977 0.00039613\n atom 42 type 2 force = 0.00019077 -0.00082801 -0.00109401\n atom 43 type 1 force = -0.00128722 0.00007240 -0.00083492\n atom 44 type 1 force = -0.00049713 0.00070749 -0.00117782\n atom 45 type 2 force = -0.00013829 0.00143003 0.00013606\n atom 46 type 2 force = 0.00155470 -0.00038028 0.00078382\n atom 47 type 1 force = 0.00103038 -0.00100922 0.00254927\n atom 48 type 1 force = 0.00047785 -0.00030591 -0.00151399\n atom 49 type 2 force = -0.00046047 -0.00115392 -0.00084916\n atom 50 type 2 force = 0.00066964 0.00037840 -0.00074882\n\n Total force = 0.011216 Total SCF correction = 0.000033\n Energy error = 2.4E-04 Ry\n Gradient error = 3.4E-03 Ry/Bohr\n\n number of scf cycles = 82\n number of bfgs steps = 81\n\n energy old = -1655.7751301289 Ry\n energy new = -1655.7753662014 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0190610140 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7950936322 9.6361708144 9.3256266014\nN 10.5628954706 9.7647858426 8.1501576530\nO 9.5805967136 9.1101614147 8.4658295897\nO 10.6707222601 10.7568305414 7.4667380201\nN 13.1898093763 8.3916397043 9.2213473484\nN 12.4160160468 6.9718329755 10.5746752681\nO 12.2863391049 7.4387809403 11.6819582433\nO 12.2409746407 5.8868460897 10.0903065439\nN 14.4722079843 8.0109795422 9.6562496638\nN 15.3447071836 8.4052529933 6.8728861235\nO 14.7908323218 9.4162751547 6.4824484503\nO 15.8893796418 7.4903791695 6.2927867816\nN 15.1482057585 8.8377913019 10.3449593912\nN 16.4680241559 8.5718596889 10.3190460816\nN 16.8055996663 6.6629984964 9.8842067623\nO 17.5116219412 6.5224396365 8.9261816488\nO 16.2519620317 5.9211890148 10.6530934706\nN 17.2476174791 9.2381210706 11.1508384842\nN 17.5252394938 8.4357411550 12.8751899027\nO 17.8906784962 7.2852365000 12.8038688787\nO 17.2455128769 9.1604940589 13.7945496182\nC 18.4647557285 9.5868184800 10.5429299055\nN 19.5361274219 8.6780468116 9.8747737143\nN 19.5305257590 9.6450938275 8.6290475888\nN 20.6106790509 10.5015366018 9.3284125257\nN 19.5373563363 11.4001935068 9.9811472920\nN 19.5233841779 10.4312118674 11.2300392717\nN 20.6077460029 9.5757962068 10.5360780149\nC 18.4711348676 10.4963785422 9.3099884142\nN 17.2678285871 10.8934145535 8.6983678656\nN 17.3164753119 11.4028018959 7.0249597688\nO 16.7470457588 12.4564247186 6.8529374688\nO 17.8247579173 10.5991025245 6.2841918405\nN 16.4564790078 11.5577934778 9.5048566098\nN 16.7802856448 13.4127298478 10.0316479579\nO 16.2277448524 14.2158961078 9.3289904287\nO 17.5092227275 13.4767099572 10.9821786969\nN 15.1478059840 11.2539736342 9.4651387219\nN 14.4350189407 12.0540303047 10.1463999426\nN 15.2856675572 11.6058710982 12.9129205233\nO 16.1220626940 12.3381079496 13.3937008573\nO 14.4608473863 10.8526090357 13.3815876756\nN 13.1380667478 11.6595428009 10.5168004624\nN 12.4365917764 13.1694348883 9.1441309698\nO 12.5371947331 12.8359717078 7.9894097979\nO 12.1091174922 14.1784180844 9.7094261570\nN 12.7517521011 10.4204391427 10.3715998488\nN 10.5718492439 10.4908812933 11.5074392950\nO 9.5765069389 10.7685056432 10.8530562659\nO 10.6846260190 10.1321376428 12.6556993259\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4814.7 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 16.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 4823.5 secs\n\n total energy = -1655.77489057 Ry\n estimated scf accuracy < 0.00132221 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.93E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 4827.8 secs\n\n total energy = -1655.77475060 Ry\n estimated scf accuracy < 0.05652336 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.93E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 4832.0 secs\n\n total energy = -1655.77528595 Ry\n estimated scf accuracy < 0.00092063 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.44E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 4836.4 secs\n\n total energy = -1655.77537982 Ry\n estimated scf accuracy < 0.00013478 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.03E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 4841.8 secs\n\n total energy = -1655.77557436 Ry\n estimated scf accuracy < 0.00007177 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.68E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 4846.2 secs\n\n total energy = -1655.77557668 Ry\n estimated scf accuracy < 0.00004886 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.82E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4851.0 secs\n\n total energy = -1655.77559803 Ry\n estimated scf accuracy < 0.00002238 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.35E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 4855.6 secs\n\n total energy = -1655.77560351 Ry\n estimated scf accuracy < 0.00000595 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.22E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.774E-02 0.000E+00\n\n total cpu time spent up to now is 4860.7 secs\n\n total energy = -1655.77560742 Ry\n estimated scf accuracy < 0.00000183 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.84E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.767E-02 0.000E+00\n\n total cpu time spent up to now is 4865.8 secs\n\n total energy = -1655.77560873 Ry\n estimated scf accuracy < 0.00000078 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.92E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.764E-02 0.000E+00\n\n total cpu time spent up to now is 4870.7 secs\n\n total energy = -1655.77560909 Ry\n estimated scf accuracy < 0.00000036 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.36E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.766E-02 0.000E+00\n\n total cpu time spent up to now is 4875.8 secs\n\n total energy = -1655.77560932 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.86E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.767E-02 0.000E+00\n\n total cpu time spent up to now is 4880.7 secs\n\n total energy = -1655.77560935 Ry\n estimated scf accuracy < 0.00000026 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.86E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.769E-02 0.000E+00\n\n total cpu time spent up to now is 4885.1 secs\n\n total energy = -1655.77560932 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.18E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.771E-02 0.000E+00\n\n total cpu time spent up to now is 4889.8 secs\n\n total energy = -1655.77560928 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.02E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 4894.3 secs\n\n total energy = -1655.77560924 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.91E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.778E-02 0.000E+00\n\n total cpu time spent up to now is 4898.7 secs\n\n total energy = -1655.77560919 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.01E-12, avg # of iterations = 13.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 4904.0 secs\n\n total energy = -1655.77560919 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.95E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 4908.3 secs\n\n total energy = -1655.77560914 Ry\n estimated scf accuracy < 7.4E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.78E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 4912.6 secs\n\n total energy = -1655.77560910 Ry\n estimated scf accuracy < 5.6E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.07E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 4917.1 secs\n\n total energy = -1655.77560903 Ry\n estimated scf accuracy < 4.6E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4921.8 secs\n\n total energy = -1655.77560902 Ry\n estimated scf accuracy < 5.4E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.72E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4926.3 secs\n\n total energy = -1655.77560902 Ry\n estimated scf accuracy < 2.6E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.88E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4931.0 secs\n\n total energy = -1655.77560902 Ry\n estimated scf accuracy < 1.0E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.81E-13, avg # of iterations = 13.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 4936.0 secs\n\n total energy = -1655.77560902 Ry\n estimated scf accuracy < 3.1E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.17E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 4940.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8758 -32.8200 -32.8146 -32.7408 -32.6063 -32.5418 -32.1996 -32.0418\n -32.0374 -31.9850 -30.7046 -29.6830 -29.2791 -29.0491 -29.0186 -28.8954\n -28.8734 -28.8304 -28.7816 -28.6420 -28.4741 -28.2739 -28.1552 -28.1170\n -27.4910 -26.8651 -25.6093 -24.8189 -24.4054 -24.0322 -22.8477 -22.0269\n -20.7389 -19.2181 -18.7087 -18.2296 -18.0732 -17.4188 -17.3611 -17.2684\n -17.0610 -16.9317 -16.6101 -16.5677 -16.5286 -16.4938 -16.4339 -16.3993\n -15.7849 -15.7372 -15.5114 -15.3277 -15.1998 -15.1007 -14.9957 -14.8665\n -14.7599 -14.7050 -14.6353 -14.6152 -14.5635 -14.4564 -14.4310 -14.3775\n -14.3249 -14.3066 -14.2729 -14.2123 -14.2010 -14.1546 -14.0373 -14.0046\n -13.9843 -13.8968 -13.8696 -13.8380 -13.8086 -13.7847 -13.7324 -13.6934\n -13.6432 -13.5789 -13.2558 -13.0712 -12.7427 -12.4350 -12.1890 -12.1066\n -11.8137 -11.5183 -11.4452 -11.3650 -10.9480 -10.8010 -10.4754 -10.0701\n -9.9187 -9.7997 -9.7715 -9.6926 -9.6266 -9.6055 -9.5901 -9.5567\n -9.5462 -9.4078 -9.3743 -9.3235 -9.2889 -9.2435 -9.1845 -9.0815\n -9.0335 -9.0049 -8.9674 -8.9156 -8.8222 -8.7504 -8.6743 -8.5873\n -8.5206 -8.2528 -8.1362 -8.1017 -7.7515 -7.6129 -7.3453 -7.2220\n -6.9960 -6.8638 -6.3881 -6.3517 -6.2773 -6.0815 -6.0677 -5.8643\n -5.6034 -4.9327 -4.8555 -4.8097 -4.4332 -4.1845 -4.1344 -4.0599\n -4.0260 -3.8911 -3.8051 -3.6813 -3.6737 -3.6352 -3.6252 -3.5280\n -3.4382 -3.1836 -3.0600 -2.8382 -2.4020 -2.2634 -0.7570 -0.4012\n -0.1642\n\n the Fermi energy is -6.0746 ev\n\n! total energy = -1655.77560900 Ry\n total all-electron energy = -6224.607957 Ry\n estimated scf accuracy < 1.8E-10 Ry\n smearing contrib. (-TS) = -0.00558446 Ry\n internal energy E=F+TS = -1655.77002454 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18373.56174834 Ry\n hartree contribution = 9219.71599712 Ry\n xc contribution = -312.75514964 Ry\n ewald contribution = 8238.80417370 Ry\n DFT-D3 Dispersion = -0.16524095 Ry\n one-center paw contrib. = -427.80805645 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00045031 -0.00074916 0.00142035\n atom 2 type 1 force = -0.00004805 0.00031302 0.00150717\n atom 3 type 2 force = -0.00015533 0.00100670 0.00061079\n atom 4 type 2 force = 0.00115627 -0.00060806 -0.00113856\n atom 5 type 1 force = -0.00117941 -0.00077150 0.00084483\n atom 6 type 1 force = -0.00149535 0.00019802 0.00002376\n atom 7 type 2 force = 0.00023508 -0.00027946 0.00086960\n atom 8 type 2 force = 0.00016071 0.00113411 -0.00122598\n atom 9 type 1 force = 0.00032729 -0.00109019 0.00043408\n atom 10 type 1 force = -0.00034555 -0.00072514 -0.00049950\n atom 11 type 2 force = 0.00107725 -0.00007192 0.00098006\n atom 12 type 2 force = -0.00052384 0.00011730 0.00061842\n atom 13 type 1 force = -0.00010701 -0.00018820 0.00079417\n atom 14 type 1 force = 0.00048596 -0.00037546 0.00016571\n atom 15 type 1 force = -0.00357952 0.00128634 0.00222519\n atom 16 type 2 force = -0.00005143 -0.00059919 0.00032012\n atom 17 type 2 force = 0.00243380 0.00173973 -0.00266654\n atom 18 type 1 force = 0.00056511 -0.00037363 -0.00043117\n atom 19 type 1 force = 0.00035843 0.00102384 -0.00103764\n atom 20 type 2 force = -0.00163040 0.00013919 0.00076889\n atom 21 type 2 force = 0.00024025 0.00049606 -0.00035115\n atom 22 type 3 force = 0.00060690 -0.00052701 -0.00076789\n atom 23 type 1 force = 0.00034110 -0.00096438 0.00092606\n atom 24 type 1 force = 0.00057755 0.00039661 -0.00143838\n atom 25 type 1 force = 0.00029539 -0.00039419 0.00070510\n atom 26 type 1 force = 0.00018193 0.00003354 0.00047310\n atom 27 type 1 force = -0.00010471 -0.00075938 -0.00012685\n atom 28 type 1 force = 0.00021900 0.00050436 -0.00068331\n atom 29 type 3 force = 0.00033519 -0.00012779 -0.00014870\n atom 30 type 1 force = -0.00098826 0.00014515 0.00088276\n atom 31 type 1 force = -0.00161206 0.00638103 -0.00022982\n atom 32 type 2 force = 0.00082628 -0.00695268 0.00065668\n atom 33 type 2 force = -0.00002634 0.00176638 0.00073635\n atom 34 type 1 force = -0.00028048 0.00034316 -0.00196335\n atom 35 type 1 force = -0.00001660 -0.00042288 -0.00214963\n atom 36 type 2 force = 0.00101232 -0.00191093 0.00116564\n atom 37 type 2 force = -0.00030249 0.00079827 -0.00105322\n atom 38 type 1 force = -0.00102490 0.00041489 -0.00069643\n atom 39 type 1 force = 0.00100375 -0.00016593 0.00133975\n atom 40 type 1 force = 0.00024062 0.00050252 0.00014007\n atom 41 type 2 force = -0.00105246 -0.00053709 0.00072842\n atom 42 type 2 force = 0.00015178 -0.00087552 -0.00038205\n atom 43 type 1 force = -0.00094267 0.00068422 -0.00120285\n atom 44 type 1 force = -0.00057384 0.00065577 -0.00071799\n atom 45 type 2 force = 0.00008097 0.00061929 -0.00067216\n atom 46 type 2 force = 0.00110561 0.00079273 0.00139361\n atom 47 type 1 force = 0.00153894 -0.00092607 0.00157207\n atom 48 type 1 force = -0.00032269 -0.00149926 -0.00129152\n atom 49 type 2 force = -0.00049627 -0.00041710 -0.00060771\n atom 50 type 2 force = 0.00085185 0.00081992 -0.00082032\n\n Total force = 0.014808 Total SCF correction = 0.000029\n Energy error = 2.4E-04 Ry\n Gradient error = 7.0E-03 Ry/Bohr\n\n number of scf cycles = 83\n number of bfgs steps = 82\n\n energy old = -1655.7753662014 Ry\n energy new = -1655.7756090044 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0181582593 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7953500577 9.6389702306 9.3271655684\nN 10.5647906755 9.7663072551 8.1489866051\nO 9.5824020090 9.1139798726 8.4696882038\nO 10.6728841346 10.7541924407 7.4595619563\nN 13.1883947517 8.3937540989 9.2258642567\nN 12.4107569166 6.9734491992 10.5722102990\nO 12.2868364213 7.4372085343 11.6817293410\nO 12.2358409126 5.8884058075 10.0882822831\nN 14.4692812439 8.0085118447 9.6626734266\nN 15.3416800377 8.4039790499 6.8756322617\nO 14.7947152856 9.4195612319 6.4878605765\nO 15.8864780298 7.4895281885 6.2960462945\nN 15.1469071443 8.8351842802 10.3510322007\nN 16.4664926839 8.5719803102 10.3186365505\nN 16.8018802304 6.6672140820 9.8838638709\nO 17.5091398960 6.5264123082 8.9268289747\nO 16.2507427129 5.9264466867 10.6560847275\nN 17.2486649717 9.2362984188 11.1505960608\nN 17.5199662348 8.4355858496 12.8733233876\nO 17.8817093206 7.2835892175 12.8058977686\nO 17.2449340773 9.1669838406 13.7893806350\nC 18.4659184545 9.5835702230 10.5419488263\nN 19.5376736252 8.6761710488 9.8705624214\nN 19.5329472615 9.6463204964 8.6287514993\nN 20.6131557380 10.5002652934 9.3300192874\nN 19.5400423127 11.3975867658 9.9846626244\nN 19.5254932448 10.4249996299 11.2310499669\nN 20.6097789296 9.5709556135 10.5352770197\nC 18.4733732266 10.4960993385 9.3108626792\nN 17.2707450091 10.8954879005 8.6991492387\nN 17.3143242338 11.4030493791 7.0241638725\nO 16.7431439193 12.4547113390 6.8532159016\nO 17.8290833329 10.6024704355 6.2818486346\nN 16.4567992783 11.5565295333 9.5051543137\nN 16.7804158690 13.4114922999 10.0294791590\nO 16.2281166150 14.2139920898 9.3262178022\nO 17.5119511614 13.4760954114 10.9776324898\nN 15.1472384813 11.2504123422 9.4625276092\nN 14.4343892965 12.0499024702 10.1445413944\nN 15.2830939256 11.6056948136 12.9122289792\nO 16.1179963023 12.3372471102 13.3956220054\nO 14.4612576704 10.8466196801 13.3763804873\nN 13.1374560992 11.6600806520 10.5172193697\nN 12.4421507049 13.1719628941 9.1443153009\nO 12.5418989548 12.8424593303 7.9882921662\nO 12.1175525780 14.1795997025 9.7138741652\nN 12.7468122663 10.4214340621 10.3754609578\nN 10.5742383033 10.4939193347 11.5058268174\nO 9.5788175846 10.7658939663 10.8497589366\nO 10.6869809166 10.1331123550 12.6534125585\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 4950.4 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 18.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 4959.4 secs\n\n total energy = -1655.77520192 Ry\n estimated scf accuracy < 0.00088489 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.30E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 4963.9 secs\n\n total energy = -1655.77532851 Ry\n estimated scf accuracy < 0.02690616 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.30E-07, avg # of iterations = 3.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 4968.1 secs\n\n total energy = -1655.77559756 Ry\n estimated scf accuracy < 0.00039348 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.47E-07, avg # of iterations = 10.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 4972.8 secs\n\n total energy = -1655.77573190 Ry\n estimated scf accuracy < 0.00013281 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.96E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 4977.7 secs\n\n total energy = -1655.77579853 Ry\n estimated scf accuracy < 0.00006427 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.40E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 4982.2 secs\n\n total energy = -1655.77581044 Ry\n estimated scf accuracy < 0.00003084 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.15E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 4986.9 secs\n\n total energy = -1655.77582071 Ry\n estimated scf accuracy < 0.00001031 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.85E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 4992.2 secs\n\n total energy = -1655.77583071 Ry\n estimated scf accuracy < 0.00000289 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-09, avg # of iterations = 6.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 4997.0 secs\n\n total energy = -1655.77583158 Ry\n estimated scf accuracy < 0.00000166 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.19E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.781E-02 0.000E+00\n\n total cpu time spent up to now is 5001.8 secs\n\n total energy = -1655.77583228 Ry\n estimated scf accuracy < 0.00000053 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.99E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 5006.6 secs\n\n total energy = -1655.77583243 Ry\n estimated scf accuracy < 0.00000023 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.70E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 5011.9 secs\n\n total energy = -1655.77583266 Ry\n estimated scf accuracy < 0.00000081 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.70E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.780E-02 0.000E+00\n\n total cpu time spent up to now is 5016.3 secs\n\n total energy = -1655.77583267 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.81E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.781E-02 0.000E+00\n\n total cpu time spent up to now is 5021.0 secs\n\n total energy = -1655.77583266 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.47E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 5025.9 secs\n\n total energy = -1655.77583266 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.40E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 5030.9 secs\n\n total energy = -1655.77583264 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.81E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 5035.3 secs\n\n total energy = -1655.77583261 Ry\n estimated scf accuracy < 9.1E-09 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.38E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 5039.8 secs\n\n total energy = -1655.77583258 Ry\n estimated scf accuracy < 7.5E-09 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.79E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 5044.2 secs\n\n total energy = -1655.77583256 Ry\n estimated scf accuracy < 4.0E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.49E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 5049.1 secs\n\n total energy = -1655.77583255 Ry\n estimated scf accuracy < 2.8E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.03E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 5053.9 secs\n\n total energy = -1655.77583253 Ry\n estimated scf accuracy < 2.3E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.76E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 5058.3 secs\n\n total energy = -1655.77583251 Ry\n estimated scf accuracy < 9.3E-10 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.48E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 5062.9 secs\n\n total energy = -1655.77583250 Ry\n estimated scf accuracy < 1.0E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.48E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 5067.4 secs\n\n total energy = -1655.77583249 Ry\n estimated scf accuracy < 5.8E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.15E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 5071.9 secs\n\n total energy = -1655.77583249 Ry\n estimated scf accuracy < 1.0E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.15E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 5075.5 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8761 -32.8139 -32.8045 -32.7387 -32.6016 -32.5392 -32.2085 -32.0547\n -32.0477 -31.9852 -30.7025 -29.6738 -29.2703 -29.0490 -29.0141 -28.8869\n -28.8762 -28.8199 -28.7805 -28.6350 -28.4854 -28.2912 -28.1641 -28.1199\n -27.4836 -26.8574 -25.6026 -24.8183 -24.4015 -24.0253 -22.8403 -22.0210\n -20.7285 -19.2190 -18.7028 -18.2240 -18.0670 -17.4259 -17.3587 -17.2741\n -17.0597 -16.9298 -16.6088 -16.5695 -16.5325 -16.4985 -16.4363 -16.3979\n -15.7805 -15.7362 -15.5102 -15.3276 -15.1984 -15.0979 -14.9987 -14.8655\n -14.7573 -14.7024 -14.6340 -14.6133 -14.5618 -14.4555 -14.4266 -14.3758\n -14.3216 -14.3056 -14.2744 -14.2058 -14.1967 -14.1541 -14.0447 -14.0102\n -13.9910 -13.9058 -13.8795 -13.8461 -13.8161 -13.7863 -13.7374 -13.6965\n -13.6479 -13.5873 -13.2473 -13.0672 -12.7374 -12.4271 -12.1805 -12.0969\n -11.8102 -11.5128 -11.4411 -11.3620 -10.9452 -10.7952 -10.4720 -10.0666\n -9.9135 -9.7974 -9.7705 -9.6908 -9.6249 -9.5987 -9.5859 -9.5557\n -9.5439 -9.4127 -9.3705 -9.3323 -9.2952 -9.2430 -9.1857 -9.0758\n -9.0332 -9.0053 -8.9649 -8.9154 -8.8256 -8.7609 -8.6742 -8.5929\n -8.5232 -8.2461 -8.1346 -8.1000 -7.7432 -7.6129 -7.3448 -7.2168\n -6.9981 -6.8619 -6.3915 -6.3476 -6.2755 -6.0786 -6.0648 -5.8635\n -5.6011 -4.9298 -4.8402 -4.8011 -4.4243 -4.1915 -4.1343 -4.0568\n -4.0265 -3.8849 -3.8063 -3.6823 -3.6742 -3.6378 -3.6238 -3.5296\n -3.4354 -3.1812 -3.0598 -2.8365 -2.4025 -2.2664 -0.7477 -0.4008\n -0.1626\n\n the Fermi energy is -6.0717 ev\n\n! total energy = -1655.77583247 Ry\n total all-electron energy = -6224.608180 Ry\n estimated scf accuracy < 1.6E-10 Ry\n smearing contrib. (-TS) = -0.00558442 Ry\n internal energy E=F+TS = -1655.77024805 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18376.71038571 Ry\n hartree contribution = 9221.29932719 Ry\n xc contribution = -312.75476044 Ry\n ewald contribution = 8240.36878073 Ry\n DFT-D3 Dispersion = -0.16525809 Ry\n one-center paw contrib. = -427.80795173 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00066996 -0.00158191 0.00229651\n atom 2 type 1 force = 0.00000011 0.00018900 0.00165069\n atom 3 type 2 force = 0.00037195 0.00124908 0.00018315\n atom 4 type 2 force = 0.00111338 -0.00075420 -0.00100984\n atom 5 type 1 force = -0.00134028 -0.00189396 0.00043355\n atom 6 type 1 force = -0.00116348 0.00033794 0.00127178\n atom 7 type 2 force = 0.00001033 -0.00004285 0.00058594\n atom 8 type 2 force = 0.00008183 0.00096657 -0.00199567\n atom 9 type 1 force = 0.00034163 0.00014431 0.00030691\n atom 10 type 1 force = -0.00063174 -0.00020051 0.00080529\n atom 11 type 2 force = 0.00105429 -0.00011220 0.00048925\n atom 12 type 2 force = -0.00023681 -0.00036967 -0.00021427\n atom 13 type 1 force = -0.00065215 0.00055188 -0.00013459\n atom 14 type 1 force = 0.00084637 -0.00044139 0.00037656\n atom 15 type 1 force = -0.00346990 0.00105398 0.00346345\n atom 16 type 2 force = -0.00027894 -0.00109057 0.00016200\n atom 17 type 2 force = 0.00286817 0.00168559 -0.00375515\n atom 18 type 1 force = 0.00019230 -0.00102463 -0.00084409\n atom 19 type 1 force = 0.00111686 0.00201057 -0.00054069\n atom 20 type 2 force = -0.00205378 0.00089448 0.00122406\n atom 21 type 2 force = 0.00044727 -0.00101053 -0.00093902\n atom 22 type 3 force = 0.00100247 -0.00047600 -0.00089210\n atom 23 type 1 force = 0.00030128 -0.00149919 0.00157521\n atom 24 type 1 force = 0.00019534 0.00040307 -0.00194395\n atom 25 type 1 force = 0.00018887 -0.00033466 0.00066471\n atom 26 type 1 force = 0.00008248 0.00014819 0.00079980\n atom 27 type 1 force = -0.00017880 -0.00040403 -0.00017119\n atom 28 type 1 force = -0.00014305 0.00073742 -0.00085011\n atom 29 type 3 force = 0.00002279 0.00001068 -0.00024385\n atom 30 type 1 force = -0.00156554 -0.00046877 0.00071627\n atom 31 type 1 force = 0.00254386 0.00286000 -0.00201778\n atom 32 type 2 force = -0.00065280 -0.00547173 0.00022622\n atom 33 type 2 force = -0.00227556 0.00402344 0.00338084\n atom 34 type 1 force = -0.00052999 -0.00003114 -0.00218918\n atom 35 type 1 force = -0.00036514 -0.00122641 -0.00260101\n atom 36 type 2 force = 0.00055670 -0.00121733 0.00084034\n atom 37 type 2 force = 0.00016961 0.00093934 -0.00015027\n atom 38 type 1 force = -0.00062202 0.00050609 0.00000409\n atom 39 type 1 force = 0.00129307 0.00054504 0.00156244\n atom 40 type 1 force = -0.00015238 0.00016971 -0.00072102\n atom 41 type 2 force = -0.00057350 -0.00010065 0.00117561\n atom 42 type 2 force = 0.00008373 -0.00091160 -0.00004786\n atom 43 type 1 force = -0.00086358 0.00082242 -0.00119706\n atom 44 type 1 force = -0.00071819 0.00093608 -0.00041062\n atom 45 type 2 force = -0.00004340 0.00061310 -0.00032430\n atom 46 type 2 force = 0.00105143 0.00066213 0.00087913\n atom 47 type 1 force = 0.00213207 -0.00069159 0.00062873\n atom 48 type 1 force = -0.00040310 -0.00243333 -0.00090676\n atom 49 type 2 force = -0.00069951 0.00017129 -0.00064890\n atom 50 type 2 force = 0.00087551 0.00115743 -0.00095325\n\n Total force = 0.015785 Total SCF correction = 0.000032\n Energy error = 2.2E-04 Ry\n Gradient error = 5.5E-03 Ry/Bohr\n\n number of scf cycles = 84\n number of bfgs steps = 83\n\n energy old = -1655.7756090044 Ry\n energy new = -1655.7758324734 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0399481704 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7936428122 9.6399242275 9.3310276584\nN 10.5679402135 9.7653866429 8.1444096971\nO 9.5858026387 9.1160534796 8.4714742225\nO 10.6761611353 10.7459129475 7.4453759930\nN 13.1856533598 8.3945157297 9.2316732783\nN 12.4034614323 6.9730621756 10.5710858454\nO 12.2842690204 7.4342000656 11.6826504757\nO 12.2323508919 5.8866745818 10.0879553275\nN 14.4653885195 8.0054523606 9.6712688312\nN 15.3393318015 8.4020814812 6.8849988527\nO 14.8046475955 9.4258242061 6.5008512408\nO 15.8799336837 7.4855932599 6.3035660302\nN 15.1458026833 8.8325559084 10.3570034940\nN 16.4653938046 8.5716634337 10.3177225277\nN 16.7979190483 6.6749556411 9.8826915661\nO 17.5058510708 6.5354103403 8.9250538364\nO 16.2532784241 5.9322806017 10.6575900365\nN 17.2506535938 9.2343568696 11.1479737153\nN 17.5127991288 8.4399007261 12.8719962756\nO 17.8645054002 7.2841838793 12.8135258996\nO 17.2439602059 9.1814943880 13.7817745702\nC 18.4683876935 9.5800012375 10.5387032496\nN 19.5404905148 8.6744535450 9.8640681726\nN 19.5366380847 9.6498264842 8.6258136978\nN 20.6168848793 10.5004602325 9.3311357682\nN 19.5436806374 11.3958836263 9.9884249048\nN 19.5281724150 10.4180049072 11.2310889458\nN 20.6127384886 9.5665576215 10.5326501350\nC 18.4765709773 10.4973426762 9.3104310258\nN 17.2743215288 10.8991791259 8.6997908855\nN 17.3096973167 11.4032597011 7.0197829224\nO 16.7261243916 12.4479360843 6.8498860776\nO 17.8310377497 10.6101548721 6.2760042817\nN 16.4567470934 11.5555639619 9.5044466655\nN 16.7782446395 13.4098109320 10.0262353384\nO 16.2268967340 14.2121529975 9.3218133121\nO 17.5112892948 13.4763479717 10.9735179495\nN 15.1465674403 11.2461432129 9.4599228354\nN 14.4340506095 12.0424044024 10.1468148072\nN 15.2785349857 11.6054850761 12.9085233217\nO 16.1116870835 12.3358810879 13.3966069720\nO 14.4647572173 10.8337246347 13.3663011141\nN 13.1360906323 11.6585325596 10.5195668347\nN 12.4525226824 13.1764776894 9.1472785096\nO 12.5531088764 12.8528647816 7.9899083107\nO 12.1361936094 14.1827624635 9.7233290145\nN 12.7411417719 10.4203985079 10.3815869386\nN 10.5778723889 10.4966871373 11.5054743874\nO 9.5820363144 10.7625491220 10.8478804571\nO 10.6914605283 10.1333486605 12.6521455233\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 5085.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 22.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 5097.0 secs\n\n total energy = -1655.77565283 Ry\n estimated scf accuracy < 0.00144355 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.39E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 5101.2 secs\n\n total energy = -1655.77562699 Ry\n estimated scf accuracy < 0.00926905 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.39E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 5105.3 secs\n\n total energy = -1655.77573094 Ry\n estimated scf accuracy < 0.00598239 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.39E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.823E-02 0.000E+00\n\n total cpu time spent up to now is 5109.5 secs\n\n total energy = -1655.77581134 Ry\n estimated scf accuracy < 0.00037897 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.41E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 5114.4 secs\n\n total energy = -1655.77608076 Ry\n estimated scf accuracy < 0.00008483 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.17E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 5119.4 secs\n\n total energy = -1655.77613325 Ry\n estimated scf accuracy < 0.00005359 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.00E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 5123.8 secs\n\n total energy = -1655.77613927 Ry\n estimated scf accuracy < 0.00002257 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.42E-09, avg # of iterations = 13.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 5128.9 secs\n\n total energy = -1655.77615236 Ry\n estimated scf accuracy < 0.00001253 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.67E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 5133.6 secs\n\n total energy = -1655.77615442 Ry\n estimated scf accuracy < 0.00000381 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.42E-09, avg # of iterations = 9.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 5138.7 secs\n\n total energy = -1655.77615691 Ry\n estimated scf accuracy < 0.00000135 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.02E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 5143.7 secs\n\n total energy = -1655.77615753 Ry\n estimated scf accuracy < 0.00000072 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.69E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 5148.6 secs\n\n total energy = -1655.77615788 Ry\n estimated scf accuracy < 0.00000028 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 5153.5 secs\n\n total energy = -1655.77615801 Ry\n estimated scf accuracy < 0.00000014 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.11E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 5158.1 secs\n\n total energy = -1655.77615802 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.96E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 5163.2 secs\n\n total energy = -1655.77615805 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-11, avg # of iterations = 4.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 5167.7 secs\n\n total energy = -1655.77615803 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.83E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 5172.3 secs\n\n total energy = -1655.77615803 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.12E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 5176.8 secs\n\n total energy = -1655.77615801 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.16E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 5181.2 secs\n\n total energy = -1655.77615799 Ry\n estimated scf accuracy < 8.5E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.16E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 5185.8 secs\n\n total energy = -1655.77615798 Ry\n estimated scf accuracy < 3.1E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.16E-12, avg # of iterations = 13.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 5191.4 secs\n\n total energy = -1655.77615798 Ry\n estimated scf accuracy < 1.6E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.90E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 5196.0 secs\n\n total energy = -1655.77615797 Ry\n estimated scf accuracy < 1.0E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.87E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5201.0 secs\n\n total energy = -1655.77615796 Ry\n estimated scf accuracy < 8.3E-10 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5205.4 secs\n\n total energy = -1655.77615795 Ry\n estimated scf accuracy < 6.3E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.34E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 5209.7 secs\n\n total energy = -1655.77615795 Ry\n estimated scf accuracy < 2.5E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 5213.6 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8657 -32.8130 -32.8005 -32.7368 -32.5881 -32.5518 -32.2111 -32.0590\n -32.0474 -31.9983 -30.6950 -29.6668 -29.2635 -29.0338 -28.9969 -28.8919\n -28.8772 -28.8042 -28.7961 -28.6330 -28.4913 -28.2901 -28.1766 -28.1315\n -27.4800 -26.8532 -25.5999 -24.8113 -24.3970 -24.0192 -22.8346 -22.0156\n -20.7206 -19.2226 -18.6995 -18.2203 -18.0515 -17.4325 -17.3566 -17.2849\n -17.0613 -16.9311 -16.6116 -16.5741 -16.5387 -16.5038 -16.4409 -16.3982\n -15.7759 -15.7335 -15.5074 -15.3256 -15.1934 -15.0948 -15.0012 -14.8639\n -14.7525 -14.6986 -14.6356 -14.6136 -14.5609 -14.4538 -14.4172 -14.3847\n -14.3133 -14.3003 -14.2691 -14.1990 -14.1937 -14.1625 -14.0549 -14.0155\n -13.9942 -13.9080 -13.8782 -13.8552 -13.8256 -13.7926 -13.7443 -13.7045\n -13.6580 -13.5879 -13.2375 -13.0619 -12.7342 -12.4216 -12.1721 -12.0856\n -11.8076 -11.5093 -11.4382 -11.3575 -10.9430 -10.7888 -10.4755 -10.0653\n -9.9104 -9.7956 -9.7674 -9.6884 -9.6217 -9.5912 -9.5827 -9.5616\n -9.5388 -9.4165 -9.3656 -9.3349 -9.3048 -9.2366 -9.1816 -9.0752\n -9.0369 -8.9992 -8.9658 -8.9138 -8.8254 -8.7643 -8.6758 -8.6013\n -8.5315 -8.2434 -8.1323 -8.0973 -7.7361 -7.6126 -7.3461 -7.2142\n -7.0025 -6.8588 -6.3967 -6.3470 -6.2760 -6.0791 -6.0648 -5.8639\n -5.5999 -4.9318 -4.8163 -4.7929 -4.4222 -4.1928 -4.1268 -4.0508\n -4.0232 -3.8808 -3.8103 -3.6874 -3.6780 -3.6443 -3.6247 -3.5328\n -3.4340 -3.1859 -3.0597 -2.8370 -2.4055 -2.2741 -0.7499 -0.3996\n -0.1598\n\n the Fermi energy is -6.0720 ev\n\n! total energy = -1655.77615793 Ry\n total all-electron energy = -6224.608506 Ry\n estimated scf accuracy < 1.9E-10 Ry\n smearing contrib. (-TS) = -0.00557984 Ry\n internal energy E=F+TS = -1655.77057809 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18382.12243283 Ry\n hartree contribution = 9224.01172732 Ry\n xc contribution = -312.75278642 Ry\n ewald contribution = 8243.06598688 Ry\n DFT-D3 Dispersion = -0.16530777 Ry\n one-center paw contrib. = -427.80776527 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00085017 -0.00230334 0.00274711\n atom 2 type 1 force = 0.00015077 -0.00048466 0.00237768\n atom 3 type 2 force = -0.00016711 0.00102401 0.00008918\n atom 4 type 2 force = 0.00154678 0.00025747 -0.00155142\n atom 5 type 1 force = -0.00115519 -0.00302748 0.00044172\n atom 6 type 1 force = -0.00053288 -0.00033340 0.00229661\n atom 7 type 2 force = -0.00031648 -0.00023198 -0.00025950\n atom 8 type 2 force = 0.00002440 0.00209177 -0.00201181\n atom 9 type 1 force = 0.00053766 0.00089903 -0.00008026\n atom 10 type 1 force = -0.00024961 -0.00080602 0.00051243\n atom 11 type 2 force = 0.00149510 -0.00108986 0.00029564\n atom 12 type 2 force = -0.00113339 0.00116575 0.00014919\n atom 13 type 1 force = -0.00149876 0.00161144 -0.00099007\n atom 14 type 1 force = 0.00025469 -0.00062673 0.00022369\n atom 15 type 1 force = -0.00145332 0.00015742 0.00248115\n atom 16 type 2 force = -0.00134408 -0.00108966 0.00107144\n atom 17 type 2 force = 0.00248193 0.00142153 -0.00388343\n atom 18 type 1 force = 0.00051839 -0.00149348 -0.00085634\n atom 19 type 1 force = 0.00184345 0.00217262 -0.00034241\n atom 20 type 2 force = -0.00224011 0.00161009 0.00128415\n atom 21 type 2 force = 0.00050588 -0.00163315 -0.00081300\n atom 22 type 3 force = 0.00111256 -0.00002108 -0.00095102\n atom 23 type 1 force = 0.00032734 -0.00136876 0.00156548\n atom 24 type 1 force = -0.00015322 0.00026110 -0.00166779\n atom 25 type 1 force = -0.00011218 -0.00030418 0.00046772\n atom 26 type 1 force = 0.00005157 0.00005055 0.00093238\n atom 27 type 1 force = 0.00012962 -0.00009366 -0.00029712\n atom 28 type 1 force = -0.00002104 0.00079269 -0.00090000\n atom 29 type 3 force = -0.00024259 -0.00011080 0.00025475\n atom 30 type 1 force = -0.00180091 -0.00122987 0.00006189\n atom 31 type 1 force = 0.00187158 0.00495479 -0.00081141\n atom 32 type 2 force = -0.00128072 -0.00456865 0.00054050\n atom 33 type 2 force = -0.00086956 0.00133661 0.00235605\n atom 34 type 1 force = -0.00070432 -0.00041286 -0.00225937\n atom 35 type 1 force = -0.00007659 -0.00098956 -0.00196591\n atom 36 type 2 force = 0.00033641 -0.00131191 0.00081044\n atom 37 type 2 force = -0.00014818 0.00081519 -0.00045780\n atom 38 type 1 force = -0.00076285 0.00058306 0.00114312\n atom 39 type 1 force = 0.00177941 0.00144004 0.00110441\n atom 40 type 1 force = -0.00027666 0.00002087 -0.00068240\n atom 41 type 2 force = -0.00093390 -0.00037213 0.00110931\n atom 42 type 2 force = 0.00055764 -0.00039326 -0.00007263\n atom 43 type 1 force = -0.00009440 0.00113830 -0.00077480\n atom 44 type 1 force = -0.00042123 0.00059176 0.00039554\n atom 45 type 2 force = -0.00040473 0.00043318 -0.00075515\n atom 46 type 2 force = 0.00054915 0.00117965 0.00054439\n atom 47 type 1 force = 0.00246349 -0.00050218 -0.00054269\n atom 48 type 1 force = -0.00061552 -0.00350050 -0.00067460\n atom 49 type 2 force = -0.00065098 0.00068754 -0.00048436\n atom 50 type 2 force = 0.00027253 0.00160269 -0.00117062\n\n Total force = 0.016064 Total SCF correction = 0.000035\n Energy error = 3.3E-04 Ry\n Gradient error = 5.0E-03 Ry/Bohr\n\n number of scf cycles = 85\n number of bfgs steps = 84\n\n energy old = -1655.7758324734 Ry\n energy new = -1655.7761579296 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0760183712 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7900130838 9.6350436018 9.3387397067\nN 10.5722359070 9.7587842952 8.1380985319\nO 9.5892786127 9.1117979359 8.4679115598\nO 10.6823420518 10.7307534381 7.4269655695\nN 13.1814608343 8.3894792833 9.2412483931\nN 12.3912502641 6.9677880460 10.5743487949\nO 12.2760719611 7.4265109093 11.6870761085\nO 12.2273640723 5.8806450763 10.0909989203\nN 14.4613368616 7.9997353420 9.6833197338\nN 15.3391202967 8.3961119411 6.8972739387\nO 14.8229796793 9.4315827620 6.5190249170\nO 15.8719464170 7.4777878531 6.3127481043\nN 15.1436761039 8.8299946132 10.3642352480\nN 16.4639279684 8.5718019315 10.3160693657\nN 16.7964583721 6.6864442518 9.8783747779\nO 17.5056610563 6.5506215973 8.9206976800\nO 16.2658451273 5.9378110297 10.6561277488\nN 17.2542396855 9.2329176892 11.1426776007\nN 17.5056671195 8.4499935617 12.8713672395\nO 17.8388049532 7.2879547079 12.8259368478\nO 17.2461823838 9.2043904543 13.7737497472\nC 18.4719956147 9.5780471205 10.5319698610\nN 19.5443809268 8.6749103952 9.8541225096\nN 19.5411361988 9.6582063428 8.6192054487\nN 20.6214479206 10.5044747239 9.3312131076\nN 19.5475322839 11.3968341177 9.9924161813\nN 19.5312385993 10.4116033795 11.2290181054\nN 20.6168064489 9.5647510705 10.5267536368\nC 18.4800789938 10.5018150134 9.3080626452\nN 17.2776434463 10.9055371323 8.6982157687\nN 17.2985412258 11.4061883854 7.0093390678\nO 16.6890422147 12.4355681581 6.8403901128\nO 17.8348358135 10.6231115928 6.2648550272\nN 16.4555837032 11.5565029579 9.4995159633\nN 16.7740421096 13.4092268605 10.0239746108\nO 16.2218507765 14.2115077752 9.3202974423\nO 17.5078003255 13.4792818537 10.9705065526\nN 15.1452932313 11.2425019331 9.4561761353\nN 14.4350620305 12.0333780348 10.1521284875\nN 15.2737156666 11.6067180999 12.9047949059\nO 16.1051939986 12.3338858020 13.3998362889\nO 14.4728654238 10.8164807536 13.3546280487\nN 13.1349940368 11.6550266357 10.5222420927\nN 12.4655019705 13.1837177162 9.1530940865\nO 12.5670969463 12.8671480759 7.9936597127\nO 12.1609249142 14.1891767954 9.7371584393\nN 12.7375701824 10.4162433119 10.3887293389\nN 10.5817753736 10.4947893952 11.5071820559\nO 9.5852588569 10.7585892933 10.8504397734\nO 10.6976209984 10.1325052116 12.6538857922\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 5223.7 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 31.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 5237.1 secs\n\n total energy = -1655.77613144 Ry\n estimated scf accuracy < 0.00355721 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.33E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 5241.2 secs\n\n total energy = -1655.77590011 Ry\n estimated scf accuracy < 0.04221592 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.33E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 5245.3 secs\n\n total energy = -1655.77613634 Ry\n estimated scf accuracy < 0.00313723 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.17E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 5249.5 secs\n\n total energy = -1655.77623734 Ry\n estimated scf accuracy < 0.00064396 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.40E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 5253.9 secs\n\n total energy = -1655.77635662 Ry\n estimated scf accuracy < 0.00012333 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.60E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 5259.5 secs\n\n total energy = -1655.77653806 Ry\n estimated scf accuracy < 0.00006280 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.34E-08, avg # of iterations = 10.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5264.0 secs\n\n total energy = -1655.77654505 Ry\n estimated scf accuracy < 0.00002496 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.31E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 5268.8 secs\n\n total energy = -1655.77655623 Ry\n estimated scf accuracy < 0.00001068 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.99E-09, avg # of iterations = 11.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 5273.7 secs\n\n total energy = -1655.77656051 Ry\n estimated scf accuracy < 0.00000298 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.11E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 5279.1 secs\n\n total energy = -1655.77656325 Ry\n estimated scf accuracy < 0.00000166 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.19E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 5283.5 secs\n\n total energy = -1655.77656335 Ry\n estimated scf accuracy < 0.00000109 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.06E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 5287.9 secs\n\n total energy = -1655.77656347 Ry\n estimated scf accuracy < 0.00000059 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.21E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 5292.7 secs\n\n total energy = -1655.77656371 Ry\n estimated scf accuracy < 0.00000086 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.21E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 5297.2 secs\n\n total energy = -1655.77656378 Ry\n estimated scf accuracy < 0.00000022 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.36E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 5302.0 secs\n\n total energy = -1655.77656385 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.72E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 5307.0 secs\n\n total energy = -1655.77656390 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.61E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 5312.0 secs\n\n total energy = -1655.77656393 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.41E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 5316.4 secs\n\n total energy = -1655.77656394 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.66E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 5321.2 secs\n\n total energy = -1655.77656395 Ry\n estimated scf accuracy < 7.9E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.96E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 5326.0 secs\n\n total energy = -1655.77656396 Ry\n estimated scf accuracy < 4.0E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 5331.0 secs\n\n total energy = -1655.77656396 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.38E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 5335.8 secs\n\n total energy = -1655.77656397 Ry\n estimated scf accuracy < 8.9E-10 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.30E-13, avg # of iterations = 14.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 5341.0 secs\n\n total energy = -1655.77656397 Ry\n estimated scf accuracy < 5.7E-10 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.11E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 5345.4 secs\n\n total energy = -1655.77656397 Ry\n estimated scf accuracy < 8.1E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.11E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 5349.0 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8608 -32.8026 -32.7973 -32.7271 -32.5943 -32.5555 -32.2124 -32.0667\n -32.0589 -31.9973 -30.6849 -29.6622 -29.2598 -29.0209 -28.9789 -28.8875\n -28.8649 -28.8102 -28.8060 -28.6332 -28.4914 -28.3033 -28.1836 -28.1321\n -27.4777 -26.8517 -25.5971 -24.7998 -24.3897 -24.0163 -22.8355 -22.0054\n -20.7149 -19.2228 -18.6968 -18.2204 -18.0231 -17.4369 -17.3548 -17.2974\n -17.0643 -16.9342 -16.6150 -16.5760 -16.5423 -16.5095 -16.4442 -16.3993\n -15.7716 -15.7283 -15.5047 -15.3206 -15.1856 -15.0913 -14.9998 -14.8609\n -14.7469 -14.6996 -14.6369 -14.6119 -14.5590 -14.4497 -14.4196 -14.3878\n -14.3050 -14.2926 -14.2559 -14.2004 -14.1917 -14.1704 -14.0579 -14.0167\n -13.9937 -13.9157 -13.8869 -13.8632 -13.8310 -13.7951 -13.7487 -13.7091\n -13.6648 -13.5963 -13.2286 -13.0588 -12.7326 -12.4174 -12.1671 -12.0780\n -11.8066 -11.5067 -11.4379 -11.3518 -10.9423 -10.7835 -10.4814 -10.0663\n -9.9088 -9.7949 -9.7609 -9.6855 -9.6190 -9.5907 -9.5805 -9.5664\n -9.5314 -9.4152 -9.3610 -9.3419 -9.3083 -9.2281 -9.1713 -9.0802\n -9.0424 -8.9875 -8.9656 -8.9124 -8.8240 -8.7719 -8.6743 -8.6060\n -8.5355 -8.2462 -8.1301 -8.0928 -7.7327 -7.6144 -7.3512 -7.2152\n -7.0049 -6.8554 -6.3989 -6.3491 -6.2774 -6.0805 -6.0652 -5.8632\n -5.5984 -4.9398 -4.7963 -4.7811 -4.4297 -4.1902 -4.1186 -4.0434\n -4.0154 -3.8764 -3.8177 -3.6897 -3.6802 -3.6482 -3.6245 -3.5381\n -3.4363 -3.1992 -3.0634 -2.8405 -2.4147 -2.2888 -0.7619 -0.3983\n -0.1573\n\n the Fermi energy is -6.0729 ev\n\n! total energy = -1655.77656397 Ry\n total all-electron energy = -6224.608912 Ry\n estimated scf accuracy < 1.4E-10 Ry\n smearing contrib. (-TS) = -0.00557204 Ry\n internal energy E=F+TS = -1655.77099193 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18385.18609332 Ry\n hartree contribution = 9225.54808720 Ry\n xc contribution = -312.74776159 Ry\n ewald contribution = 8244.58762012 Ry\n DFT-D3 Dispersion = -0.16527758 Ry\n one-center paw contrib. = -427.80756675 Ry\n\n convergence has been achieved in 25 iterations\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00108412 -0.00240902 0.00220581\n atom 2 type 1 force = -0.00009585 -0.00009754 0.00203553\n atom 3 type 2 force = 0.00028537 0.00137823 0.00015382\n atom 4 type 2 force = 0.00102324 -0.00022243 -0.00082380\n atom 5 type 1 force = -0.00056099 -0.00364887 0.00097183\n atom 6 type 1 force = 0.00142746 0.00004133 0.00219820\n atom 7 type 2 force = -0.00093360 -0.00006640 0.00024861\n atom 8 type 2 force = -0.00048750 0.00184023 -0.00231641\n atom 9 type 1 force = 0.00022324 0.00147574 -0.00035965\n atom 10 type 1 force = -0.00072225 -0.00000101 0.00147602\n atom 11 type 2 force = 0.00144338 -0.00131216 0.00000213\n atom 12 type 2 force = -0.00075069 0.00050491 -0.00067669\n atom 13 type 1 force = -0.00176344 0.00202586 -0.00213072\n atom 14 type 1 force = -0.00002952 -0.00017017 0.00061406\n atom 15 type 1 force = 0.00120681 -0.00091051 0.00147207\n atom 16 type 2 force = -0.00143760 -0.00040403 0.00016965\n atom 17 type 2 force = 0.00044043 0.00052362 -0.00219812\n atom 18 type 1 force = 0.00027265 -0.00174760 -0.00124436\n atom 19 type 1 force = 0.00226254 0.00165463 0.00090180\n atom 20 type 2 force = -0.00220189 0.00253404 0.00090038\n atom 21 type 2 force = 0.00072769 -0.00200061 -0.00151563\n atom 22 type 3 force = 0.00072605 -0.00000542 -0.00036705\n atom 23 type 1 force = 0.00018313 -0.00058803 0.00077698\n atom 24 type 1 force = -0.00054981 -0.00014006 -0.00046182\n atom 25 type 1 force = -0.00043968 -0.00000360 -0.00035408\n atom 26 type 1 force = -0.00009659 -0.00001801 0.00044123\n atom 27 type 1 force = 0.00040602 0.00019120 -0.00011770\n atom 28 type 1 force = 0.00000073 0.00038399 -0.00050635\n atom 29 type 3 force = -0.00052578 0.00003980 0.00010788\n atom 30 type 1 force = -0.00170185 -0.00170629 -0.00076020\n atom 31 type 1 force = 0.00303781 0.00360218 -0.00133613\n atom 32 type 2 force = -0.00124904 -0.00433337 0.00064050\n atom 33 type 2 force = -0.00155685 0.00228340 0.00343114\n atom 34 type 1 force = -0.00048543 -0.00090531 -0.00144559\n atom 35 type 1 force = -0.00015976 -0.00059726 -0.00131543\n atom 36 type 2 force = -0.00043176 -0.00096989 -0.00024692\n atom 37 type 2 force = 0.00028362 -0.00004940 0.00000407\n atom 38 type 1 force = -0.00034591 0.00058339 0.00230532\n atom 39 type 1 force = 0.00094913 0.00228034 0.00030977\n atom 40 type 1 force = -0.00090000 -0.00070911 -0.00027495\n atom 41 type 2 force = -0.00069192 -0.00003082 0.00099415\n atom 42 type 2 force = 0.00089766 0.00011409 -0.00044105\n atom 43 type 1 force = 0.00091545 0.00062219 0.00018012\n atom 44 type 1 force = -0.00014343 0.00059527 0.00051231\n atom 45 type 2 force = -0.00102564 0.00071884 -0.00003192\n atom 46 type 2 force = 0.00028831 0.00055535 -0.00043432\n atom 47 type 1 force = 0.00239180 0.00039160 -0.00141937\n atom 48 type 1 force = 0.00012385 -0.00376427 -0.00022772\n atom 49 type 2 force = -0.00059604 0.00082283 -0.00092196\n atom 50 type 2 force = -0.00071764 0.00164810 -0.00112543\n\n Total force = 0.015710 Total SCF correction = 0.000028\n Energy error = 4.1E-04 Ry\n Gradient error = 4.3E-03 Ry/Bohr\n\n number of scf cycles = 86\n number of bfgs steps = 85\n\n energy old = -1655.7761579296 Ry\n energy new = -1655.7765639714 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0732371546 bohr\n new conv_thr = 0.0000000004 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7875770193 9.6281530310 9.3462599654\nN 10.5752512561 9.7529026385 8.1339725164\nO 9.5912750487 9.1083916647 8.4645561615\nO 10.6876807600 10.7164604689 7.4115101219\nN 13.1785356026 8.3820800594 9.2477066871\nN 12.3870064800 6.9631669804 10.5784804496\nO 12.2692273567 7.4219985757 11.6909907421\nO 12.2319158819 5.8745869164 10.0941014182\nN 14.4606463965 7.9958506224 9.6884385914\nN 15.3414349888 8.3928416695 6.9125683040\nO 14.8393954577 9.4363703158 6.5367873134\nO 15.8629610943 7.4704570983 6.3219617995\nN 15.1422439820 8.8290123550 10.3664556476\nN 16.4638384450 8.5721321823 10.3149864374\nN 16.7972558037 6.6952086876 9.8743250268\nO 17.5050590086 6.5637635936 8.9138710783\nO 16.2770287320 5.9405286533 10.6517482347\nN 17.2573129432 9.2328666673 11.1373958844\nN 17.5026786633 8.4619393347 12.8721386561\nO 17.8185431239 7.2948736138 12.8388941430\nO 17.2477273136 9.2254150763 13.7673001278\nC 18.4748861595 9.5786801243 10.5260526463\nN 19.5472673241 8.6766850594 9.8479638428\nN 19.5435205746 9.6643307346 8.6128478039\nN 20.6240205363 10.5091417139 9.3288461209\nN 19.5493449458 11.3999435208 9.9922636765\nN 19.5329785421 10.4108882471 11.2258465491\nN 20.6196453824 9.5671031469 10.5215355382\nC 18.4815374780 10.5060480892 9.3046250854\nN 17.2776033355 10.9093442267 8.6956024612\nN 17.2874750957 11.4086221450 7.0012532408\nO 16.6531873877 12.4228776254 6.8329493222\nO 17.8334785842 10.6336556488 6.2570662775\nN 16.4534798805 11.5579791537 9.4941580038\nN 16.7695250947 13.4079537603 10.0215449234\nO 16.2172144405 14.2090453709 9.3165674878\nO 17.4996679336 13.4817806304 10.9714309721\nN 15.1431689442 11.2419222734 9.4556909033\nN 14.4360471340 12.0271229778 10.1616030998\nN 15.2699145927 11.6063573774 12.8992918466\nO 16.0994518270 12.3325637334 13.3991644009\nO 14.4813863243 10.8005793630 13.3434860730\nN 13.1337202693 11.6502553427 10.5270977813\nN 12.4760979981 13.1877433189 9.1600281505\nO 12.5789516083 12.8767260383 7.9991143144\nO 12.1837002669 14.1937125344 9.7494909878\nN 12.7379956058 10.4102262171 10.3947989595\nN 10.5842105306 10.4892884730 11.5078311973\nO 9.5870743917 10.7543491401 10.8523612078\nO 10.7015454974 10.1317520672 12.6558395522\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 5359.0 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 26.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5371.4 secs\n\n total energy = -1655.77566277 Ry\n estimated scf accuracy < 0.01030995 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.85E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 5375.5 secs\n\n total energy = -1655.77335091 Ry\n estimated scf accuracy < 0.46052598 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.85E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.831E-02 0.000E+00\n\n total cpu time spent up to now is 5379.6 secs\n\n total energy = -1655.77657718 Ry\n estimated scf accuracy < 0.00102405 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.82E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 5383.8 secs\n\n total energy = -1655.77666157 Ry\n estimated scf accuracy < 0.00086546 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.23E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 5388.0 secs\n\n total energy = -1655.77670426 Ry\n estimated scf accuracy < 0.00025341 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.46E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 5392.9 secs\n\n total energy = -1655.77684714 Ry\n estimated scf accuracy < 0.00014000 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.22E-08, avg # of iterations = 3.0\n\n negative rho (up, down): 2.827E-02 0.000E+00\n\n total cpu time spent up to now is 5397.3 secs\n\n total energy = -1655.77686336 Ry\n estimated scf accuracy < 0.00005878 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.829E-02 0.000E+00\n\n total cpu time spent up to now is 5401.9 secs\n\n total energy = -1655.77687311 Ry\n estimated scf accuracy < 0.00004415 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.65E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 5406.4 secs\n\n total energy = -1655.77687633 Ry\n estimated scf accuracy < 0.00001113 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.15E-09, avg # of iterations = 14.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 5412.0 secs\n\n total energy = -1655.77689010 Ry\n estimated scf accuracy < 0.00000309 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.15E-09, avg # of iterations = 17.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 5417.4 secs\n\n total energy = -1655.77689236 Ry\n estimated scf accuracy < 0.00000194 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.24E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 5421.8 secs\n\n total energy = -1655.77689240 Ry\n estimated scf accuracy < 0.00000079 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.96E-10, avg # of iterations = 14.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 5427.2 secs\n\n total energy = -1655.77689313 Ry\n estimated scf accuracy < 0.00000046 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.73E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.831E-02 0.000E+00\n\n total cpu time spent up to now is 5431.9 secs\n\n total energy = -1655.77689322 Ry\n estimated scf accuracy < 0.00000054 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.73E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 5436.2 secs\n\n total energy = -1655.77689328 Ry\n estimated scf accuracy < 0.00000019 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.98E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 5441.0 secs\n\n total energy = -1655.77689341 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.07E-11, avg # of iterations = 16.0\n\n negative rho (up, down): 2.826E-02 0.000E+00\n\n total cpu time spent up to now is 5446.4 secs\n\n total energy = -1655.77689348 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.40E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 5450.9 secs\n\n total energy = -1655.77689354 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.27E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 5455.8 secs\n\n total energy = -1655.77689357 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.02E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 5460.8 secs\n\n total energy = -1655.77689360 Ry\n estimated scf accuracy < 8.0E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.99E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 5465.2 secs\n\n total energy = -1655.77689362 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.99E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 5469.5 secs\n\n total energy = -1655.77689365 Ry\n estimated scf accuracy < 3.5E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.30E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 5473.8 secs\n\n total energy = -1655.77689367 Ry\n estimated scf accuracy < 2.7E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.01E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 5478.3 secs\n\n total energy = -1655.77689369 Ry\n estimated scf accuracy < 1.5E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.63E-13, avg # of iterations = 14.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 5483.4 secs\n\n total energy = -1655.77689369 Ry\n estimated scf accuracy < 1.5E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.54E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 5487.9 secs\n\n total energy = -1655.77689371 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.32E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 5492.2 secs\n\n total energy = -1655.77689371 Ry\n estimated scf accuracy < 9.5E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.55E-13, avg # of iterations = 1.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 5496.5 secs\n\n total energy = -1655.77689372 Ry\n estimated scf accuracy < 4.3E-10 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.60E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 5500.5 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8566 -32.8079 -32.7950 -32.7328 -32.5913 -32.5610 -32.2166 -32.0657\n -32.0366 -32.0021 -30.6736 -29.6654 -29.2633 -29.0116 -28.9641 -28.8964\n -28.8629 -28.8146 -28.8133 -28.6388 -28.4940 -28.2759 -28.1829 -28.1341\n -27.4837 -26.8590 -25.5997 -24.7885 -24.3854 -24.0184 -22.8427 -22.0005\n -20.7179 -19.2249 -18.6995 -18.2273 -18.0054 -17.4383 -17.3624 -17.3076\n -17.0727 -16.9407 -16.6202 -16.5816 -16.5433 -16.5059 -16.4460 -16.4014\n -15.7717 -15.7261 -15.5060 -15.3202 -15.1802 -15.0921 -15.0015 -14.8618\n -14.7474 -14.7054 -14.6402 -14.6132 -14.5614 -14.4511 -14.4206 -14.3918\n -14.3030 -14.2883 -14.2461 -14.2050 -14.1925 -14.1767 -14.0586 -14.0209\n -13.9958 -13.9022 -13.8739 -13.8632 -13.8312 -13.7968 -13.7538 -13.7134\n -13.6686 -13.5839 -13.2265 -13.0565 -12.7353 -12.4183 -12.1676 -12.0763\n -11.8075 -11.5083 -11.4410 -11.3508 -10.9441 -10.7844 -10.4897 -10.0721\n -9.9131 -9.7991 -9.7567 -9.6866 -9.6206 -9.5948 -9.5810 -9.5709\n -9.5275 -9.4167 -9.3604 -9.3289 -9.3091 -9.2245 -9.1643 -9.0868\n -9.0474 -8.9857 -8.9593 -8.9148 -8.8252 -8.7560 -8.6738 -8.6067\n -8.5376 -8.2564 -8.1302 -8.0911 -7.7371 -7.6202 -7.3582 -7.2227\n -7.0067 -6.8553 -6.4023 -6.3556 -6.2826 -6.0865 -6.0702 -5.8653\n -5.5971 -4.9476 -4.7946 -4.7655 -4.4395 -4.1803 -4.1131 -4.0406\n -4.0097 -3.8833 -3.8227 -3.6954 -3.6832 -3.6470 -3.6277 -3.5419\n -3.4403 -3.2123 -3.0673 -2.8476 -2.4236 -2.3007 -0.7823 -0.3974\n -0.1564\n\n the Fermi energy is -6.0783 ev\n\n! total energy = -1655.77689374 Ry\n total all-electron energy = -6224.609242 Ry\n estimated scf accuracy < 9.2E-11 Ry\n smearing contrib. (-TS) = -0.00556133 Ry\n internal energy E=F+TS = -1655.77133241 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18390.93073691 Ry\n hartree contribution = 9228.41188271 Ry\n xc contribution = -312.74221474 Ry\n ewald contribution = 8247.46245707 Ry\n DFT-D3 Dispersion = -0.16535701 Ry\n one-center paw contrib. = -427.80736353 Ry\n\n convergence has been achieved in 29 iterations\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00101459 -0.00191904 0.00100652\n atom 2 type 1 force = -0.00015239 0.00047803 0.00131741\n atom 3 type 2 force = -0.00005186 0.00095611 0.00074757\n atom 4 type 2 force = 0.00048984 -0.00026526 -0.00030903\n atom 5 type 1 force = -0.00001298 -0.00289486 0.00169865\n atom 6 type 1 force = 0.00243795 -0.00089886 0.00157647\n atom 7 type 2 force = -0.00120568 -0.00079977 -0.00039502\n atom 8 type 2 force = -0.00075104 0.00345565 -0.00100371\n atom 9 type 1 force = -0.00004595 0.00116845 -0.00033689\n atom 10 type 1 force = 0.00026684 -0.00162135 -0.00080607\n atom 11 type 2 force = 0.00126757 -0.00135052 0.00051908\n atom 12 type 2 force = -0.00169549 0.00205733 0.00086103\n atom 13 type 1 force = -0.00089647 0.00195444 -0.00239563\n atom 14 type 1 force = -0.00091089 -0.00014054 0.00041312\n atom 15 type 1 force = 0.00417881 -0.00144463 -0.00175533\n atom 16 type 2 force = -0.00220564 0.00041604 0.00094483\n atom 17 type 2 force = -0.00137568 -0.00047544 0.00000518\n atom 18 type 1 force = 0.00030176 -0.00133475 -0.00084260\n atom 19 type 1 force = 0.00176471 0.00034768 0.00048901\n atom 20 type 2 force = -0.00146082 0.00183264 0.00005041\n atom 21 type 2 force = 0.00062842 -0.00011019 -0.00025733\n atom 22 type 3 force = 0.00014492 0.00034851 0.00003472\n atom 23 type 1 force = 0.00010974 0.00064777 -0.00031143\n atom 24 type 1 force = -0.00054956 -0.00026753 0.00106565\n atom 25 type 1 force = -0.00046169 0.00005971 -0.00080976\n atom 26 type 1 force = -0.00026249 -0.00039416 -0.00020456\n atom 27 type 1 force = 0.00054654 0.00018442 -0.00026360\n atom 28 type 1 force = 0.00019521 -0.00010419 -0.00035081\n atom 29 type 3 force = -0.00062983 -0.00015060 -0.00000572\n atom 30 type 1 force = -0.00089846 -0.00170648 -0.00124323\n atom 31 type 1 force = 0.00108315 0.00417051 -0.00004245\n atom 32 type 2 force = -0.00064750 -0.00402437 0.00091333\n atom 33 type 2 force = 0.00008764 0.00099812 0.00191067\n atom 34 type 1 force = -0.00066976 -0.00097764 -0.00000947\n atom 35 type 1 force = 0.00044477 0.00003115 0.00045909\n atom 36 type 2 force = -0.00054666 -0.00085300 -0.00063893\n atom 37 type 2 force = -0.00036950 -0.00073714 -0.00135812\n atom 38 type 1 force = 0.00034131 0.00032337 0.00287902\n atom 39 type 1 force = 0.00041189 0.00234440 -0.00085114\n atom 40 type 1 force = -0.00063761 -0.00064353 0.00051640\n atom 41 type 2 force = -0.00101237 -0.00018365 0.00053501\n atom 42 type 2 force = 0.00088989 0.00029503 -0.00072533\n atom 43 type 1 force = 0.00170245 0.00013086 0.00102265\n atom 44 type 1 force = 0.00013553 0.00066569 0.00036846\n atom 45 type 2 force = -0.00145527 0.00065581 0.00022834\n atom 46 type 2 force = -0.00009402 0.00025255 -0.00076374\n atom 47 type 1 force = 0.00179457 0.00077463 -0.00175479\n atom 48 type 1 force = 0.00039460 -0.00316818 -0.00003303\n atom 49 type 2 force = -0.00015448 0.00048041 -0.00101501\n atom 50 type 2 force = -0.00147861 0.00143635 -0.00107993\n\n Total force = 0.014923 Total SCF correction = 0.000026\n Energy error = 3.3E-04 Ry\n Gradient error = 4.2E-03 Ry/Bohr\n\n number of scf cycles = 87\n number of bfgs steps = 86\n\n energy old = -1655.7765639714 Ry\n energy new = -1655.7768937352 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0671061022 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7856732069 9.6191598599 9.3539418829\nN 10.5772229221 9.7478134158 8.1323157308\nO 9.5923076310 9.1045547156 8.4625737813\nO 10.6912942332 10.7047778783 7.4007446381\nN 13.1771170857 8.3727295810 9.2550016947\nN 12.3856493023 6.9581894091 10.5839904629\nO 12.2632809617 7.4171504832 11.6950651961\nO 12.2346062593 5.8710715604 10.0967689012\nN 14.4616920909 7.9932593029 9.6922007128\nN 15.3438250865 8.3881278123 6.9235584756\nO 14.8533666840 9.4379511415 6.5500968030\nO 15.8561474095 7.4643622372 6.3284686380\nN 15.1416202056 8.8299769680 10.3673458155\nN 16.4640034019 8.5733044280 10.3141381278\nN 16.8021110567 6.7028516212 9.8700840677\nO 17.5061280580 6.5755050507 8.9067625290\nO 16.2888131922 5.9431858890 10.6464984211\nN 17.2604051977 9.2331807590 11.1328872822\nN 17.5027680427 8.4734440296 12.8726444602\nO 17.8029416028 7.3025396812 12.8476522395\nO 17.2517396109 9.2429959491 13.7636943033\nC 18.4773489341 9.5806315780 10.5210153416\nN 19.5497770827 8.6798828392 9.8429527988\nN 19.5445960918 9.6699224643 8.6076743164\nN 20.6252166491 10.5148155558 9.3254365982\nN 19.5494392576 11.4038820774 9.9906569810\nN 19.5340706211 10.4127676771 11.2222538426\nN 20.6218420029 9.5714284758 10.5165435745\nC 18.4816348912 10.5097778226 9.3010902410\nN 17.2760680914 10.9108194365 8.6921023081\nN 17.2779916926 11.4120900585 6.9944941107\nO 16.6200393351 12.4117673112 6.8267203525\nO 17.8338741391 10.6429148739 6.2515956015\nN 16.4509760869 11.5585968448 9.4896067635\nN 16.7653429779 13.4062436627 10.0206091877\nO 16.2116920074 14.2062253739 9.3149888963\nO 17.4921323842 13.4827321798 10.9725202361\nN 15.1418462752 11.2422605102 9.4565142985\nN 14.4370803330 12.0240027147 10.1681543638\nN 15.2677457112 11.6063219346 12.8957629551\nO 16.0956012239 12.3318834124 13.3993662030\nO 14.4885316411 10.7890984366 13.3359948500\nN 13.1336429172 11.6456262903 10.5311988761\nN 12.4823427093 13.1901922525 9.1660515454\nO 12.5849253410 12.8831523062 8.0038577756\nO 12.1984465403 14.1966474737 9.7587025555\nN 12.7401848979 10.4047642057 10.3985146191\nN 10.5856730404 10.4806276393 11.5077557439\nO 9.5878856373 10.7492470438 10.8541902883\nO 10.7040312892 10.1312240343 12.6580423443\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 5510.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 28.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5522.6 secs\n\n total energy = -1655.77645103 Ry\n estimated scf accuracy < 0.00455172 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.70E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 5526.8 secs\n\n total energy = -1655.77552594 Ry\n estimated scf accuracy < 0.17970120 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.70E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 5530.9 secs\n\n total energy = -1655.77680442 Ry\n estimated scf accuracy < 0.00133942 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.00E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 5535.1 secs\n\n total energy = -1655.77685180 Ry\n estimated scf accuracy < 0.00050725 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.89E-07, avg # of iterations = 8.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 5539.8 secs\n\n total energy = -1655.77708984 Ry\n estimated scf accuracy < 0.00012910 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.82E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 5544.5 secs\n\n total energy = -1655.77713966 Ry\n estimated scf accuracy < 0.00006644 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.48E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 5549.1 secs\n\n total energy = -1655.77715386 Ry\n estimated scf accuracy < 0.00002906 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-08, avg # of iterations = 6.0\n\n negative rho (up, down): 2.826E-02 0.000E+00\n\n total cpu time spent up to now is 5553.8 secs\n\n total energy = -1655.77716618 Ry\n estimated scf accuracy < 0.00000943 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.52E-09, avg # of iterations = 15.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 5559.1 secs\n\n total energy = -1655.77717195 Ry\n estimated scf accuracy < 0.00000459 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.71E-09, avg # of iterations = 6.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 5563.9 secs\n\n total energy = -1655.77717411 Ry\n estimated scf accuracy < 0.00000173 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.47E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 5568.7 secs\n\n total energy = -1655.77717475 Ry\n estimated scf accuracy < 0.00000075 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.81E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.826E-02 0.000E+00\n\n total cpu time spent up to now is 5573.9 secs\n\n total energy = -1655.77717519 Ry\n estimated scf accuracy < 0.00000025 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.17E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 5579.0 secs\n\n total energy = -1655.77717537 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.80E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 5584.2 secs\n\n total energy = -1655.77717545 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.80E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 5588.6 secs\n\n total energy = -1655.77717550 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.80E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 5592.9 secs\n\n total energy = -1655.77717553 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.85E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 5598.4 secs\n\n total energy = -1655.77717556 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.88E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 5602.8 secs\n\n total energy = -1655.77717559 Ry\n estimated scf accuracy < 8.6E-09 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.20E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 5607.2 secs\n\n total energy = -1655.77717563 Ry\n estimated scf accuracy < 7.7E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.88E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 5611.5 secs\n\n total energy = -1655.77717565 Ry\n estimated scf accuracy < 7.1E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.65E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 5615.9 secs\n\n total energy = -1655.77717568 Ry\n estimated scf accuracy < 3.9E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 5620.5 secs\n\n total energy = -1655.77717570 Ry\n estimated scf accuracy < 2.6E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.79E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 5625.4 secs\n\n total energy = -1655.77717571 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.24E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 5630.0 secs\n\n total energy = -1655.77717571 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.24E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 5634.4 secs\n\n total energy = -1655.77717573 Ry\n estimated scf accuracy < 1.0E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.87E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 5638.8 secs\n\n total energy = -1655.77717574 Ry\n estimated scf accuracy < 5.6E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.07E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 5642.6 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8601 -32.8051 -32.8000 -32.7342 -32.6205 -32.5598 -32.2151 -32.0565\n -32.0420 -31.9956 -30.6676 -29.6753 -29.2746 -29.0136 -28.9645 -28.8974\n -28.8566 -28.8461 -28.8120 -28.6465 -28.4901 -28.2705 -28.1721 -28.1253\n -27.4913 -26.8675 -25.6048 -24.7834 -24.3826 -24.0262 -22.8548 -22.0018\n -20.7266 -19.2274 -18.7016 -18.2370 -17.9928 -17.4394 -17.3705 -17.3148\n -17.0832 -16.9457 -16.6237 -16.5830 -16.5402 -16.5006 -16.4430 -16.4046\n -15.7749 -15.7259 -15.5116 -15.3215 -15.1792 -15.0946 -15.0028 -14.8646\n -14.7516 -14.7208 -14.6415 -14.6154 -14.5644 -14.4575 -14.4367 -14.3896\n -14.3052 -14.2841 -14.2421 -14.2198 -14.1945 -14.1761 -14.0541 -14.0198\n -13.9930 -13.8963 -13.8729 -13.8609 -13.8244 -13.7930 -13.7528 -13.7114\n -13.6655 -13.5838 -13.2299 -13.0573 -12.7403 -12.4214 -12.1706 -12.0810\n -11.8093 -11.5115 -11.4448 -11.3522 -10.9469 -10.7873 -10.4948 -10.0785\n -9.9182 -9.8023 -9.7538 -9.6868 -9.6219 -9.6097 -9.5828 -9.5697\n -9.5268 -9.4141 -9.3614 -9.3227 -9.3034 -9.2243 -9.1589 -9.0941\n -9.0485 -8.9876 -8.9527 -8.9165 -8.8268 -8.7470 -8.6725 -8.5999\n -8.5326 -8.2673 -8.1329 -8.0901 -7.7446 -7.6257 -7.3640 -7.2294\n -7.0059 -6.8554 -6.4015 -6.3586 -6.2845 -6.0894 -6.0721 -5.8632\n -5.5929 -4.9499 -4.7947 -4.7520 -4.4525 -4.1705 -4.1125 -4.0383\n -4.0051 -3.8883 -3.8219 -3.6967 -3.6824 -3.6402 -3.6265 -3.5415\n -3.4415 -3.2210 -3.0693 -2.8522 -2.4278 -2.3059 -0.7927 -0.3973\n -0.1569\n\n the Fermi energy is -6.0807 ev\n\n! total energy = -1655.77717575 Ry\n total all-electron energy = -6224.609524 Ry\n estimated scf accuracy < 1.6E-10 Ry\n smearing contrib. (-TS) = -0.00555245 Ry\n internal energy E=F+TS = -1655.77162330 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18395.66889991 Ry\n hartree contribution = 9230.76712559 Ry\n xc contribution = -312.74761957 Ry\n ewald contribution = 8249.85015713 Ry\n DFT-D3 Dispersion = -0.16542367 Ry\n one-center paw contrib. = -427.80696286 Ry\n\n convergence has been achieved in 27 iterations\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00067129 -0.00042353 -0.00070105\n atom 2 type 1 force = -0.00054742 0.00083689 0.00042425\n atom 3 type 2 force = 0.00007025 0.00093954 0.00111429\n atom 4 type 2 force = 0.00013047 -0.00072829 0.00055086\n atom 5 type 1 force = 0.00025812 -0.00161265 0.00222784\n atom 6 type 1 force = 0.00349471 0.00012855 0.00003067\n atom 7 type 2 force = -0.00142142 -0.00049807 0.00118751\n atom 8 type 2 force = -0.00122079 0.00186448 -0.00102138\n atom 9 type 1 force = -0.00033211 0.00009856 -0.00020861\n atom 10 type 1 force = -0.00020121 -0.00071049 -0.00080049\n atom 11 type 2 force = 0.00059149 -0.00032195 0.00086975\n atom 12 type 2 force = -0.00065394 0.00003597 0.00035545\n atom 13 type 1 force = -0.00001354 0.00123907 -0.00227359\n atom 14 type 1 force = -0.00039677 -0.00008699 0.00040196\n atom 15 type 1 force = 0.00365964 -0.00169535 -0.00198459\n atom 16 type 2 force = -0.00098098 0.00091210 -0.00045569\n atom 17 type 2 force = -0.00231521 -0.00114059 0.00154353\n atom 18 type 1 force = 0.00017785 -0.00015954 -0.00039380\n atom 19 type 1 force = 0.00051964 0.00029588 0.00100862\n atom 20 type 2 force = -0.00051630 0.00035664 -0.00050546\n atom 21 type 2 force = 0.00090716 0.00093582 -0.00037089\n atom 22 type 3 force = -0.00073126 0.00038574 0.00046709\n atom 23 type 1 force = -0.00016381 0.00143121 -0.00100886\n atom 24 type 1 force = -0.00020497 -0.00040031 0.00174788\n atom 25 type 1 force = -0.00047299 -0.00000068 -0.00106649\n atom 26 type 1 force = -0.00010162 -0.00042635 -0.00085609\n atom 27 type 1 force = 0.00053705 0.00005540 -0.00031976\n atom 28 type 1 force = 0.00013276 -0.00046827 -0.00016010\n atom 29 type 3 force = -0.00045604 -0.00003958 -0.00033224\n atom 30 type 1 force = -0.00054261 -0.00090854 -0.00100415\n atom 31 type 1 force = -0.00067164 0.00340965 0.00024581\n atom 32 type 2 force = 0.00126653 -0.00531938 0.00095871\n atom 33 type 2 force = 0.00017813 0.00231972 0.00151339\n atom 34 type 1 force = 0.00047865 -0.00089563 0.00084968\n atom 35 type 1 force = -0.00043289 0.00073126 0.00004495\n atom 36 type 2 force = -0.00028013 -0.00100115 -0.00067963\n atom 37 type 2 force = 0.00027344 -0.00111461 -0.00092853\n atom 38 type 1 force = 0.00047097 -0.00055833 0.00247188\n atom 39 type 1 force = -0.00062850 0.00221893 -0.00104661\n atom 40 type 1 force = -0.00069132 -0.00086516 0.00115258\n atom 41 type 2 force = -0.00107443 -0.00010992 0.00026186\n atom 42 type 2 force = 0.00095420 0.00051192 -0.00103400\n atom 43 type 1 force = 0.00185975 -0.00046716 0.00122275\n atom 44 type 1 force = 0.00025259 0.00059405 -0.00034589\n atom 45 type 2 force = -0.00165092 0.00047682 0.00054395\n atom 46 type 2 force = -0.00037433 0.00029469 -0.00055239\n atom 47 type 1 force = 0.00120581 0.00086844 -0.00122533\n atom 48 type 1 force = 0.00047279 -0.00166972 -0.00012278\n atom 49 type 2 force = 0.00042330 -0.00014869 -0.00112833\n atom 50 type 2 force = -0.00190946 0.00082959 -0.00066854\n\n Total force = 0.013834 Total SCF correction = 0.000026\n Energy error = 2.8E-04 Ry\n Gradient error = 5.3E-03 Ry/Bohr\n\n number of scf cycles = 88\n number of bfgs steps = 87\n\n energy old = -1655.7768937352 Ry\n energy new = -1655.7771757457 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0435493224 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7869006491 9.6131327291 9.3594235956\nN 10.5782501538 9.7475710019 8.1348695841\nO 9.5923317395 9.1071758432 8.4668679491\nO 10.6945532044 10.6971333597 7.3934200215\nN 13.1765182280 8.3646191693 9.2613020492\nN 12.3917781798 6.9575969326 10.5868560097\nO 12.2619216487 7.4162809680 11.6972938639\nO 12.2419240797 5.8720010854 10.0955733656\nN 14.4638389870 7.9913649424 9.6925463206\nN 15.3454244481 8.3861704844 6.9341135030\nO 14.8626126313 9.4396715700 6.5611374433\nO 15.8492072976 7.4603386728 6.3342051833\nN 15.1411069032 8.8311647622 10.3661583732\nN 16.4645812162 8.5739470760 10.3143354797\nN 16.8060024456 6.7069155769 9.8679939937\nO 17.5045686712 6.5837538934 8.8998603207\nO 16.2935689316 5.9446068827 10.6420780423\nN 17.2628495549 9.2338121833 11.1300002047\nN 17.5048542978 8.4828400417 12.8725895506\nO 17.7929957325 7.3091970300 12.8538444727\nO 17.2542494718 9.2566867214 13.7593993255\nC 18.4788279244 9.5824866203 10.5179799451\nN 19.5516058956 8.6824109621 9.8408744860\nN 19.5446629276 9.6716095524 8.6048616230\nN 20.6252291619 10.5183092168 9.3213303209\nN 19.5487635065 11.4068319900 9.9869705895\nN 19.5347871561 10.4160740803 11.2191405945\nN 20.6232869751 9.5756793073 10.5133316338\nC 18.4805037775 10.5112309660 9.2981693303\nN 17.2725141847 10.9091933887 8.6892994688\nN 17.2710455260 11.4148482109 6.9938395402\nO 16.5986110724 12.4033038481 6.8261859218\nO 17.8328789582 10.6491355886 6.2520701199\nN 16.4482626533 11.5581130666 9.4867599485\nN 16.7623910730 13.4034048775 10.0178016485\nO 16.2091799685 14.2011584051 9.3093907698\nO 17.4851515603 13.4811792361 10.9730105626\nN 15.1395386760 11.2426490477 9.4599963853\nN 14.4369270601 12.0240818043 10.1738936380\nN 15.2659571412 11.6044629144 12.8921872749\nO 16.0908689821 12.3316924505 13.3977559185\nO 14.4935343629 10.7796963316 13.3288970441\nN 13.1335106513 11.6419387595 10.5362979858\nN 12.4859926171 13.1901279034 9.1705996896\nO 12.5870457770 12.8861744087 8.0073053046\nO 12.2094435923 14.1974487864 9.7654015964\nN 12.7436338757 10.4000988999 10.4019349030\nN 10.5861846316 10.4713566402 11.5038416259\nO 9.5886472657 10.7424657931 10.8504625845\nO 10.7036676178 10.1325342763 12.6573426268\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 5652.8 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 22.0\n\n negative rho (up, down): 2.823E-02 0.000E+00\n\n total cpu time spent up to now is 5663.9 secs\n\n total energy = -1655.77541117 Ry\n estimated scf accuracy < 0.01454973 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.43E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.841E-02 0.000E+00\n\n total cpu time spent up to now is 5668.0 secs\n\n total energy = -1655.77280862 Ry\n estimated scf accuracy < 0.60930149 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.43E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.845E-02 0.000E+00\n\n total cpu time spent up to now is 5672.2 secs\n\n total energy = -1655.77713527 Ry\n estimated scf accuracy < 0.00084711 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.16E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.860E-02 0.000E+00\n\n total cpu time spent up to now is 5676.5 secs\n\n total energy = -1655.77718101 Ry\n estimated scf accuracy < 0.00212912 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.16E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.863E-02 0.000E+00\n\n total cpu time spent up to now is 5680.8 secs\n\n total energy = -1655.77722480 Ry\n estimated scf accuracy < 0.00015850 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.91E-08, avg # of iterations = 13.0\n\n negative rho (up, down): 2.858E-02 0.000E+00\n\n total cpu time spent up to now is 5686.2 secs\n\n total energy = -1655.77739894 Ry\n estimated scf accuracy < 0.00009946 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.71E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.856E-02 0.000E+00\n\n total cpu time spent up to now is 5690.6 secs\n\n total energy = -1655.77740780 Ry\n estimated scf accuracy < 0.00003285 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.23E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.851E-02 0.000E+00\n\n total cpu time spent up to now is 5695.5 secs\n\n total energy = -1655.77742667 Ry\n estimated scf accuracy < 0.00022928 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.23E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.841E-02 0.000E+00\n\n total cpu time spent up to now is 5699.8 secs\n\n total energy = -1655.77742824 Ry\n estimated scf accuracy < 0.00004108 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.23E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 5704.1 secs\n\n total energy = -1655.77742794 Ry\n estimated scf accuracy < 0.00006948 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.23E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.827E-02 0.000E+00\n\n total cpu time spent up to now is 5708.5 secs\n\n total energy = -1655.77742940 Ry\n estimated scf accuracy < 0.00000937 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.50E-09, avg # of iterations = 6.0\n\n negative rho (up, down): 2.823E-02 0.000E+00\n\n total cpu time spent up to now is 5712.9 secs\n\n total energy = -1655.77743027 Ry\n estimated scf accuracy < 0.00000024 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.02E-11, avg # of iterations = 40.0\n\n negative rho (up, down): 2.823E-02 0.000E+00\n\n total cpu time spent up to now is 5724.7 secs\n\n total energy = -1655.77743428 Ry\n estimated scf accuracy < 0.00000097 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.02E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 5729.0 secs\n\n total energy = -1655.77743426 Ry\n estimated scf accuracy < 0.00000101 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.02E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 5733.3 secs\n\n total energy = -1655.77743419 Ry\n estimated scf accuracy < 0.00000082 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.02E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 5737.6 secs\n\n total energy = -1655.77743423 Ry\n estimated scf accuracy < 0.00000031 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.02E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 5742.0 secs\n\n total energy = -1655.77743428 Ry\n estimated scf accuracy < 0.00000016 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.91E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5746.6 secs\n\n total energy = -1655.77743434 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.61E-11, avg # of iterations = 11.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 5751.8 secs\n\n total energy = -1655.77743436 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.55E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 5756.2 secs\n\n total energy = -1655.77743435 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.08E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 5760.6 secs\n\n total energy = -1655.77743435 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.68E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5764.9 secs\n\n total energy = -1655.77743435 Ry\n estimated scf accuracy < 5.9E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.21E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5770.0 secs\n\n total energy = -1655.77743435 Ry\n estimated scf accuracy < 3.1E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.17E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5774.8 secs\n\n total energy = -1655.77743434 Ry\n estimated scf accuracy < 2.1E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.66E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5779.6 secs\n\n total energy = -1655.77743435 Ry\n estimated scf accuracy < 1.1E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.29E-13, avg # of iterations = 12.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5784.3 secs\n\n total energy = -1655.77743435 Ry\n estimated scf accuracy < 4.4E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.63E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5789.5 secs\n\n total energy = -1655.77743435 Ry\n estimated scf accuracy < 3.9E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.46E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 5793.1 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8675 -32.8156 -32.8085 -32.7418 -32.6276 -32.5535 -32.2299 -32.0487\n -32.0290 -31.9914 -30.6640 -29.6830 -29.2823 -29.0234 -28.9698 -28.9131\n -28.8607 -28.8563 -28.8034 -28.6501 -28.5042 -28.2470 -28.1629 -28.1189\n -27.4985 -26.8759 -25.6059 -24.7818 -24.3811 -24.0325 -22.8642 -22.0035\n -20.7323 -19.2311 -18.7020 -18.2447 -17.9959 -17.4430 -17.3823 -17.3212\n -17.0970 -16.9498 -16.6251 -16.5880 -16.5374 -16.4913 -16.4395 -16.4048\n -15.7784 -15.7290 -15.5208 -15.3295 -15.1818 -15.1005 -15.0084 -14.8702\n -14.7630 -14.7366 -14.6428 -14.6190 -14.5699 -14.4648 -14.4425 -14.3841\n -14.3130 -14.2852 -14.2451 -14.2280 -14.1974 -14.1710 -14.0536 -14.0277\n -14.0018 -13.8820 -13.8659 -13.8547 -13.8184 -13.7892 -13.7568 -13.7107\n -13.6608 -13.5727 -13.2348 -13.0552 -12.7409 -12.4216 -12.1712 -12.0839\n -11.8092 -11.5136 -11.4478 -11.3558 -10.9485 -10.7914 -10.4946 -10.0834\n -9.9237 -9.8069 -9.7546 -9.6897 -9.6256 -9.6179 -9.5859 -9.5661\n -9.5307 -9.4202 -9.3640 -9.3086 -9.3007 -9.2320 -9.1603 -9.0979\n -9.0448 -8.9857 -8.9526 -8.9237 -8.8343 -8.7297 -8.6711 -8.5936\n -8.5267 -8.2782 -8.1367 -8.0906 -7.7550 -7.6326 -7.3681 -7.2365\n -7.0035 -6.8569 -6.4040 -6.3601 -6.2861 -6.0921 -6.0741 -5.8627\n -5.5863 -4.9461 -4.7910 -4.7429 -4.4564 -4.1620 -4.1168 -4.0383\n -4.0039 -3.8996 -3.8188 -3.6999 -3.6835 -3.6339 -3.6222 -3.5391\n -3.4393 -3.2196 -3.0690 -2.8547 -2.4291 -2.3047 -0.7960 -0.3977\n -0.1581\n\n the Fermi energy is -6.0831 ev\n\n! total energy = -1655.77743436 Ry\n total all-electron energy = -6224.609782 Ry\n estimated scf accuracy < 1.9E-10 Ry\n smearing contrib. (-TS) = -0.00554416 Ry\n internal energy E=F+TS = -1655.77189021 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18404.22552314 Ry\n hartree contribution = 9235.02796490 Ry\n xc contribution = -312.75449980 Ry\n ewald contribution = 8254.15232986 Ry\n DFT-D3 Dispersion = -0.16559661 Ry\n one-center paw contrib. = -427.80656542 Ry\n\n convergence has been achieved in 28 iterations\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00019156 0.00059215 -0.00174867\n atom 2 type 1 force = -0.00055439 0.00130664 -0.00074188\n atom 3 type 2 force = 0.00015457 0.00058705 0.00129741\n atom 4 type 2 force = -0.00066052 -0.00123538 0.00140490\n atom 5 type 1 force = 0.00023504 0.00016387 0.00205875\n atom 6 type 1 force = 0.00281427 -0.00020675 -0.00015685\n atom 7 type 2 force = -0.00116483 -0.00117143 0.00051618\n atom 8 type 2 force = -0.00120090 0.00237482 0.00003998\n atom 9 type 1 force = -0.00029042 -0.00043262 0.00023854\n atom 10 type 1 force = 0.00028219 -0.00143752 -0.00228631\n atom 11 type 2 force = 0.00000630 0.00062532 0.00140764\n atom 12 type 2 force = -0.00060206 -0.00024192 0.00113063\n atom 13 type 1 force = 0.00179240 0.00019098 -0.00164644\n atom 14 type 1 force = -0.00017475 -0.00028299 0.00006280\n atom 15 type 1 force = 0.00300433 -0.00124433 -0.00330020\n atom 16 type 2 force = -0.00096488 0.00071382 0.00051479\n atom 17 type 2 force = -0.00188934 -0.00148768 0.00180877\n atom 18 type 1 force = -0.00037446 0.00062157 0.00030317\n atom 19 type 1 force = -0.00087461 -0.00014978 0.00018970\n atom 20 type 2 force = 0.00035618 -0.00093587 -0.00081192\n atom 21 type 2 force = 0.00113000 0.00235616 0.00078420\n atom 22 type 3 force = -0.00096806 0.00072609 0.00052217\n atom 23 type 1 force = -0.00051090 0.00167630 -0.00115822\n atom 24 type 1 force = -0.00000489 -0.00022939 0.00163969\n atom 25 type 1 force = -0.00022948 -0.00016338 -0.00085241\n atom 26 type 1 force = -0.00001875 -0.00048807 -0.00111895\n atom 27 type 1 force = 0.00024403 0.00001834 -0.00067104\n atom 28 type 1 force = -0.00012357 -0.00064706 -0.00029970\n atom 29 type 3 force = -0.00009225 -0.00013868 -0.00069318\n atom 30 type 1 force = 0.00029579 -0.00004195 -0.00053462\n atom 31 type 1 force = -0.00049551 -0.00046477 0.00093577\n atom 32 type 2 force = 0.00038042 -0.00251779 0.00064843\n atom 33 type 2 force = 0.00107495 0.00259241 0.00047981\n atom 34 type 1 force = 0.00047378 -0.00055273 0.00199572\n atom 35 type 1 force = -0.00021699 0.00030094 0.00071006\n atom 36 type 2 force = 0.00013438 -0.00054705 -0.00034874\n atom 37 type 2 force = -0.00017292 -0.00082132 -0.00184063\n atom 38 type 1 force = 0.00128816 -0.00085351 0.00172316\n atom 39 type 1 force = -0.00088487 0.00102354 -0.00118916\n atom 40 type 1 force = -0.00017331 -0.00027516 0.00071743\n atom 41 type 2 force = -0.00082813 0.00016272 0.00039739\n atom 42 type 2 force = 0.00015263 -0.00028151 -0.00060988\n atom 43 type 1 force = 0.00128746 -0.00077151 0.00096254\n atom 44 type 1 force = 0.00010909 0.00086116 -0.00074977\n atom 45 type 2 force = -0.00167279 0.00019192 0.00072896\n atom 46 type 2 force = -0.00057414 0.00030941 -0.00038353\n atom 47 type 1 force = 0.00076497 0.00074873 -0.00069612\n atom 48 type 1 force = 0.00048273 -0.00013531 0.00019251\n atom 49 type 2 force = 0.00048032 -0.00061759 -0.00117426\n atom 50 type 2 force = -0.00141784 0.00022912 -0.00039861\n\n Total force = 0.012621 Total SCF correction = 0.000036\n Energy error = 2.6E-04 Ry\n Gradient error = 3.3E-03 Ry/Bohr\n\n number of scf cycles = 89\n number of bfgs steps = 88\n\n energy old = -1655.7771757457 Ry\n energy new = -1655.7774343637 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0680003608 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7877456476 9.6051200763 9.3653803164\nN 10.5784755755 9.7449115309 8.1376389011\nO 9.5927073173 9.1066904218 8.4737939054\nO 10.6951138393 10.6882693555 7.3886666457\nN 13.1780106183 8.3553831014 9.2709214131\nN 12.3995240640 6.9542015195 10.5916393836\nO 12.2613910843 7.4132551465 11.7004487532\nO 12.2455913177 5.8711334308 10.0974644834\nN 14.4667182105 7.9886951944 9.6973440621\nN 15.3483015773 8.3807849786 6.9423067825\nO 14.8733421589 9.4392721871 6.5722971397\nO 15.8434303466 7.4530764286 6.3393195674\nN 15.1428592570 8.8328220767 10.3670040272\nN 16.4664662441 8.5770722973 10.3144809664\nN 16.8166627533 6.7138945668 9.8629712212\nO 17.5073287118 6.5971417618 8.8892035666\nO 16.3055313122 5.9483273436 10.6358424363\nN 17.2655360245 9.2381640279 11.1273849127\nN 17.5077498063 8.4952978134 12.8718796592\nO 17.7831447888 7.3182397431 12.8570099207\nO 17.2628225828 9.2751266728 13.7561386250\nC 18.4801519270 9.5877307474 10.5142809460\nN 19.5534256003 8.6887790790 9.8366736985\nN 19.5446698205 9.6757959833 8.6014191200\nN 20.6249019560 10.5248290927 9.3149374036\nN 19.5477795396 11.4124219809 9.9806341843\nN 19.5357653640 10.4229694055 11.2138023424\nN 20.6245111095 9.5827034398 10.5083116369\nC 18.4792709511 10.5147600240 9.2933023655\nN 17.2689732990 10.9088666145 8.6851389246\nN 17.2608044525 11.4179603971 6.9915712648\nO 16.5645242335 12.3923034194 6.8227299700\nO 17.8361806328 10.6593670889 6.2512888310\nN 16.4448586671 11.5558863275 9.4854306559\nN 16.7560696327 13.4001193535 10.0172888959\nO 16.2045063964 14.1975608750 9.3067807339\nO 17.4768892697 13.4768202597 10.9733636529\nN 15.1377904955 11.2392238626 9.4634788154\nN 14.4347091275 12.0222285025 10.1747724955\nN 15.2656353027 11.6032711346 12.8898962409\nO 16.0877671378 12.3323578918 13.3971116018\nO 14.4991675984 10.7710544498 13.3240821045\nN 13.1337018643 11.6354670530 10.5421615702\nN 12.4874538164 13.1883979630 9.1761919259\nO 12.5851227240 12.8870982804 8.0119222212\nO 12.2157267090 14.1955711514 9.7732864592\nN 12.7444265314 10.3944664579 10.4056862177\nN 10.5868686272 10.4599726825 11.5015823463\nO 9.5895122345 10.7292755272 10.8464408542\nO 10.7030747852 10.1315395391 12.6580975648\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 5803.1 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 27.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 5815.1 secs\n\n total energy = -1655.77717562 Ry\n estimated scf accuracy < 0.00250057 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.33E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 5819.3 secs\n\n total energy = -1655.77689871 Ry\n estimated scf accuracy < 0.05115405 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.33E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 5823.4 secs\n\n total energy = -1655.77728955 Ry\n estimated scf accuracy < 0.00253462 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.33E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.837E-02 0.000E+00\n\n total cpu time spent up to now is 5827.6 secs\n\n total energy = -1655.77733209 Ry\n estimated scf accuracy < 0.00054852 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.05E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.833E-02 0.000E+00\n\n total cpu time spent up to now is 5832.2 secs\n\n total energy = -1655.77753958 Ry\n estimated scf accuracy < 0.00015135 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.65E-08, avg # of iterations = 11.0\n\n negative rho (up, down): 2.827E-02 0.000E+00\n\n total cpu time spent up to now is 5837.1 secs\n\n total energy = -1655.77760634 Ry\n estimated scf accuracy < 0.00007650 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.85E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.830E-02 0.000E+00\n\n total cpu time spent up to now is 5841.7 secs\n\n total energy = -1655.77762412 Ry\n estimated scf accuracy < 0.00002536 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.46E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.824E-02 0.000E+00\n\n total cpu time spent up to now is 5847.0 secs\n\n total energy = -1655.77764773 Ry\n estimated scf accuracy < 0.00001347 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.03E-09, avg # of iterations = 7.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 5851.5 secs\n\n total energy = -1655.77764887 Ry\n estimated scf accuracy < 0.00000808 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.02E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 5856.0 secs\n\n total energy = -1655.77764988 Ry\n estimated scf accuracy < 0.00000224 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.36E-10, avg # of iterations = 15.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 5861.9 secs\n\n total energy = -1655.77765311 Ry\n estimated scf accuracy < 0.00000146 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.45E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 5866.3 secs\n\n total energy = -1655.77765327 Ry\n estimated scf accuracy < 0.00000078 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.90E-10, avg # of iterations = 15.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 5871.3 secs\n\n total energy = -1655.77765365 Ry\n estimated scf accuracy < 0.00000194 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.90E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 5875.6 secs\n\n total energy = -1655.77765374 Ry\n estimated scf accuracy < 0.00000027 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.01E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 5880.3 secs\n\n total energy = -1655.77765381 Ry\n estimated scf accuracy < 0.00000024 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.81E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5884.8 secs\n\n total energy = -1655.77765386 Ry\n estimated scf accuracy < 0.00000016 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.03E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 5889.3 secs\n\n total energy = -1655.77765390 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.25E-11, avg # of iterations = 16.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 5895.4 secs\n\n total energy = -1655.77765396 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.02E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 5899.8 secs\n\n total energy = -1655.77765394 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.52E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5904.8 secs\n\n total energy = -1655.77765394 Ry\n estimated scf accuracy < 3.6E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.35E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 5910.1 secs\n\n total energy = -1655.77765395 Ry\n estimated scf accuracy < 3.6E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.33E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5914.4 secs\n\n total energy = -1655.77765394 Ry\n estimated scf accuracy < 2.2E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.14E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5918.8 secs\n\n total energy = -1655.77765394 Ry\n estimated scf accuracy < 9.2E-10 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.43E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5923.9 secs\n\n total energy = -1655.77765393 Ry\n estimated scf accuracy < 5.1E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.89E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5928.8 secs\n\n total energy = -1655.77765393 Ry\n estimated scf accuracy < 4.9E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.83E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 5932.5 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8723 -32.8115 -32.7785 -32.7253 -32.6490 -32.5487 -32.2261 -32.0432\n -32.0315 -31.9938 -30.6682 -29.6923 -29.2912 -29.0339 -28.9808 -28.8877\n -28.8764 -28.8454 -28.7964 -28.6535 -28.5020 -28.2465 -28.1582 -28.1173\n -27.5053 -26.8807 -25.6088 -24.7885 -24.3823 -24.0404 -22.8719 -22.0115\n -20.7372 -19.2378 -18.7000 -18.2508 -17.9991 -17.4471 -17.3895 -17.3261\n -17.1103 -16.9515 -16.6260 -16.5894 -16.5372 -16.4901 -16.4372 -16.4073\n -15.7814 -15.7324 -15.5302 -15.3298 -15.1889 -15.1015 -15.0080 -14.8745\n -14.7725 -14.7412 -14.6427 -14.6120 -14.5682 -14.4778 -14.4404 -14.3794\n -14.3179 -14.2852 -14.2485 -14.2365 -14.1911 -14.1653 -14.0560 -14.0277\n -13.9989 -13.8806 -13.8649 -13.8541 -13.8149 -13.7888 -13.7554 -13.7101\n -13.6584 -13.5733 -13.2418 -13.0539 -12.7386 -12.4202 -12.1704 -12.0871\n -11.8079 -11.5159 -11.4500 -11.3591 -10.9499 -10.7941 -10.4907 -10.0870\n -9.9267 -9.8076 -9.7539 -9.6892 -9.6279 -9.6243 -9.5789 -9.5614\n -9.5354 -9.4196 -9.3652 -9.3077 -9.3012 -9.2347 -9.1626 -9.1007\n -9.0409 -8.9839 -8.9540 -8.9235 -8.8360 -8.7288 -8.6716 -8.5903\n -8.5230 -8.2847 -8.1423 -8.0938 -7.7633 -7.6359 -7.3695 -7.2384\n -7.0019 -6.8569 -6.4052 -6.3567 -6.2833 -6.0924 -6.0738 -5.8599\n -5.5813 -4.9384 -4.7864 -4.7332 -4.4669 -4.1618 -4.1225 -4.0426\n -4.0061 -3.9055 -3.8135 -3.7019 -3.6844 -3.6308 -3.6192 -3.5360\n -3.4350 -3.2148 -3.0654 -2.8526 -2.4262 -2.2993 -0.7830 -0.3986\n -0.1592\n\n the Fermi energy is -6.0831 ev\n\n! total energy = -1655.77765393 Ry\n total all-electron energy = -6224.610002 Ry\n estimated scf accuracy < 1.5E-10 Ry\n smearing contrib. (-TS) = -0.00553792 Ry\n internal energy E=F+TS = -1655.77211602 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18412.48921932 Ry\n hartree contribution = 9239.15219004 Ry\n xc contribution = -312.75871747 Ry\n ewald contribution = 8258.29554834 Ry\n DFT-D3 Dispersion = -0.16578056 Ry\n one-center paw contrib. = -427.80613705 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00027151 0.00161092 -0.00228955\n atom 2 type 1 force = -0.00053296 0.00054823 -0.00073480\n atom 3 type 2 force = -0.00001289 0.00037307 0.00109406\n atom 4 type 2 force = -0.00036757 -0.00077029 0.00140043\n atom 5 type 1 force = -0.00004346 0.00134420 0.00137388\n atom 6 type 1 force = 0.00171562 0.00043283 -0.00048190\n atom 7 type 2 force = -0.00083673 -0.00077863 0.00145636\n atom 8 type 2 force = -0.00101508 0.00103016 -0.00035977\n atom 9 type 1 force = 0.00040379 -0.00087567 0.00057090\n atom 10 type 1 force = -0.00043583 0.00001567 -0.00177159\n atom 11 type 2 force = 0.00002355 0.00033863 0.00153429\n atom 12 type 2 force = 0.00001688 -0.00148372 0.00034035\n atom 13 type 1 force = 0.00215815 -0.00100358 -0.00123650\n atom 14 type 1 force = 0.00088455 -0.00047864 -0.00015660\n atom 15 type 1 force = -0.00064008 -0.00141848 -0.00106064\n atom 16 type 2 force = 0.00019561 -0.00003231 0.00005387\n atom 17 type 2 force = -0.00002462 -0.00086977 0.00013227\n atom 18 type 1 force = -0.00050344 0.00146935 0.00071687\n atom 19 type 1 force = -0.00183833 0.00009956 0.00118340\n atom 20 type 2 force = 0.00039858 0.00002008 -0.00029288\n atom 21 type 2 force = 0.00200847 0.00073703 -0.00063673\n atom 22 type 3 force = -0.00105414 0.00092225 0.00033944\n atom 23 type 1 force = -0.00094753 0.00096670 -0.00051814\n atom 24 type 1 force = 0.00019599 -0.00019537 0.00043899\n atom 25 type 1 force = -0.00010307 -0.00048952 -0.00053253\n atom 26 type 1 force = 0.00030078 -0.00017055 -0.00108762\n atom 27 type 1 force = 0.00000584 0.00010917 -0.00070629\n atom 28 type 1 force = -0.00057113 -0.00041100 -0.00042658\n atom 29 type 3 force = 0.00040337 0.00023819 -0.00074391\n atom 30 type 1 force = 0.00010764 0.00128358 0.00024248\n atom 31 type 1 force = -0.00328355 0.00052412 -0.00071422\n atom 32 type 2 force = 0.00492456 -0.00752560 0.00126641\n atom 33 type 2 force = -0.00038587 0.00572659 0.00139001\n atom 34 type 1 force = 0.00136723 -0.00024460 0.00179203\n atom 35 type 1 force = -0.00094908 0.00009162 -0.00078052\n atom 36 type 2 force = 0.00064373 -0.00074088 0.00026838\n atom 37 type 2 force = 0.00050808 -0.00016421 -0.00082760\n atom 38 type 1 force = 0.00081092 -0.00117523 0.00068393\n atom 39 type 1 force = -0.00070351 0.00002548 -0.00034461\n atom 40 type 1 force = -0.00074036 -0.00082540 0.00087783\n atom 41 type 2 force = -0.00092963 0.00011328 0.00054341\n atom 42 type 2 force = 0.00077731 0.00037382 -0.00077461\n atom 43 type 1 force = 0.00044031 -0.00058795 0.00000246\n atom 44 type 1 force = -0.00022957 0.00086718 -0.00086428\n atom 45 type 2 force = -0.00159766 -0.00014728 0.00046884\n atom 46 type 2 force = -0.00073229 0.00084010 -0.00001283\n atom 47 type 1 force = 0.00071412 0.00026111 0.00002277\n atom 48 type 1 force = -0.00015877 0.00114798 0.00002967\n atom 49 type 2 force = 0.00079542 -0.00091754 -0.00073493\n atom 50 type 2 force = -0.00089185 -0.00020471 -0.00013373\n\n Total force = 0.015060 Total SCF correction = 0.000029\n Energy error = 2.2E-04 Ry\n Gradient error = 7.5E-03 Ry/Bohr\n\n number of scf cycles = 90\n number of bfgs steps = 89\n\n energy old = -1655.7774343637 Ry\n energy new = -1655.7776539315 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0393262348 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7941489650 9.6089179130 9.3664745924\nN 10.5776284358 9.7557221797 8.1448660936\nO 9.5922111603 9.1210842675 8.4888155534\nO 10.6940448099 10.6924634112 7.3872351502\nN 13.1777443014 8.3550526542 9.2788001324\nN 12.4060621167 6.9618553269 10.5896803325\nO 12.2640181965 7.4136200453 11.7007015959\nO 12.2415410266 5.8854531416 10.0857208372\nN 14.4674705179 7.9880232697 9.6984175901\nN 15.3415326225 8.3793206920 6.9393424427\nO 14.8710909040 9.4406751217 6.5719146169\nO 15.8428102574 7.4556253251 6.3378993977\nN 15.1445352086 8.8325650406 10.3658575476\nN 16.4667846040 8.5743331073 10.3151036295\nN 16.8133463039 6.7114388475 9.8659143786\nO 17.5007391462 6.5911404613 8.8919536512\nO 16.2932759215 5.9514311676 10.6383893130\nN 17.2662292992 9.2341806156 11.1288828350\nN 17.5076791393 8.4921943717 12.8696429635\nO 17.7818574805 7.3158613069 12.8535500028\nO 17.2628197958 9.2727662794 13.7530190043\nC 18.4802575706 9.5832198227 10.5157952363\nN 19.5536015227 8.6853926636 9.8362710094\nN 19.5444710192 9.6716706059 8.6039007978\nN 20.6240739127 10.5212659283 9.3154868376\nN 19.5469377779 11.4077738279 9.9818532107\nN 19.5361310633 10.4178230208 11.2150902437\nN 20.6244422014 9.5779555827 10.5090174635\nC 18.4784184154 10.5096868741 9.2950388460\nN 17.2672106391 10.9025885278 8.6869027817\nN 17.2683386612 11.4192781934 7.0017350837\nO 16.5814249774 12.3948583149 6.8329647394\nO 17.8396021804 10.6600877063 6.2599344541\nN 16.4454833108 11.5525483375 9.4897884057\nN 16.7598472695 13.3956589618 10.0115391715\nO 16.2073536369 14.1913898643 9.2997650890\nO 17.4836182499 13.4729785766 10.9650450630\nN 15.1385504474 11.2395144434 9.4676743264\nN 14.4345305544 12.0289431075 10.1705530626\nN 15.2639243418 11.6020889271 12.8917075080\nO 16.0826801270 12.3326036289 13.4022758062\nO 14.4953881839 10.7699566305 13.3212954323\nN 13.1350816284 11.6395989237 10.5413880463\nN 12.4850871470 13.1906730302 9.1716105715\nO 12.5773678278 12.8907037555 8.0066687101\nO 12.2141951346 14.1968843330 9.7707788175\nN 12.7495647337 10.3974222570 10.4072733395\nN 10.5867563994 10.4569713259 11.4918678511\nO 9.5900991356 10.7245206010 10.8343732908\nO 10.7006847612 10.1378959406 12.6510248771\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 5942.7 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 22.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5953.8 secs\n\n total energy = -1655.77725663 Ry\n estimated scf accuracy < 0.00267626 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.99E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 5957.9 secs\n\n total energy = -1655.77672246 Ry\n estimated scf accuracy < 0.10290438 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.99E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 5962.1 secs\n\n total energy = -1655.77749238 Ry\n estimated scf accuracy < 0.00094910 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.54E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 5966.3 secs\n\n total energy = -1655.77754627 Ry\n estimated scf accuracy < 0.00025995 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.70E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 5971.3 secs\n\n total energy = -1655.77775110 Ry\n estimated scf accuracy < 0.00017674 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.59E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5975.6 secs\n\n total energy = -1655.77776070 Ry\n estimated scf accuracy < 0.00008679 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.24E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 5979.9 secs\n\n total energy = -1655.77776999 Ry\n estimated scf accuracy < 0.00002610 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.74E-09, avg # of iterations = 11.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 5985.3 secs\n\n total energy = -1655.77779644 Ry\n estimated scf accuracy < 0.00002057 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.68E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 5989.6 secs\n\n total energy = -1655.77779590 Ry\n estimated scf accuracy < 0.00001550 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.78E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 5993.8 secs\n\n total energy = -1655.77779639 Ry\n estimated scf accuracy < 0.00000348 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.30E-09, avg # of iterations = 13.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 5999.1 secs\n\n total energy = -1655.77779894 Ry\n estimated scf accuracy < 0.00000088 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.29E-10, avg # of iterations = 14.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 6004.8 secs\n\n total energy = -1655.77780003 Ry\n estimated scf accuracy < 0.00000071 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.65E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 6009.2 secs\n\n total energy = -1655.77779998 Ry\n estimated scf accuracy < 0.00000095 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.65E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 6013.5 secs\n\n total energy = -1655.77780004 Ry\n estimated scf accuracy < 0.00000083 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.65E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 6017.8 secs\n\n total energy = -1655.77780004 Ry\n estimated scf accuracy < 0.00000023 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.41E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 6022.4 secs\n\n total energy = -1655.77780006 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.94E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 6028.2 secs\n\n total energy = -1655.77780015 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.90E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 6032.6 secs\n\n total energy = -1655.77780011 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.29E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 6037.0 secs\n\n total energy = -1655.77780010 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.13E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 6041.3 secs\n\n total energy = -1655.77780009 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.03E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 6046.0 secs\n\n total energy = -1655.77780008 Ry\n estimated scf accuracy < 8.1E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.02E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 6051.0 secs\n\n total energy = -1655.77780008 Ry\n estimated scf accuracy < 5.8E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.17E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 6055.4 secs\n\n total energy = -1655.77780006 Ry\n estimated scf accuracy < 2.3E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.51E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 6060.2 secs\n\n total energy = -1655.77780005 Ry\n estimated scf accuracy < 1.5E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.58E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 6064.7 secs\n\n total energy = -1655.77780005 Ry\n estimated scf accuracy < 3.2E-09 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.58E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 6069.0 secs\n\n total energy = -1655.77780004 Ry\n estimated scf accuracy < 7.3E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.73E-13, avg # of iterations = 13.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 6073.9 secs\n\n total energy = -1655.77780004 Ry\n estimated scf accuracy < 6.5E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.42E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6078.4 secs\n\n total energy = -1655.77780003 Ry\n estimated scf accuracy < 3.7E-10 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.39E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6082.0 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8824 -32.8395 -32.8344 -32.7444 -32.6633 -32.5420 -32.2301 -32.0530\n -32.0369 -31.9859 -30.6754 -29.6969 -29.2980 -29.0401 -29.0079 -28.9275\n -28.8850 -28.8657 -28.7890 -28.6541 -28.5089 -28.2693 -28.1528 -28.1089\n -27.5054 -26.8805 -25.6037 -24.7963 -24.3838 -24.0439 -22.8708 -22.0175\n -20.7358 -19.2389 -18.6963 -18.2455 -18.0191 -17.4563 -17.3984 -17.3342\n -17.1241 -16.9489 -16.6218 -16.5880 -16.5344 -16.4931 -16.4312 -16.4027\n -15.7822 -15.7386 -15.5411 -15.3476 -15.1954 -15.1116 -15.0227 -14.8829\n -14.7864 -14.7642 -14.6562 -14.6163 -14.5768 -14.4890 -14.4499 -14.3737\n -14.3194 -14.2952 -14.2590 -14.2376 -14.1962 -14.1590 -14.0594 -14.0300\n -14.0024 -13.8910 -13.8753 -13.8577 -13.8104 -13.7849 -13.7552 -13.7061\n -13.6495 -13.5820 -13.2434 -13.0528 -12.7380 -12.4193 -12.1633 -12.0886\n -11.8066 -11.5110 -11.4482 -11.3602 -10.9505 -10.7941 -10.4835 -10.0818\n -9.9265 -9.8079 -9.7591 -9.6914 -9.6274 -9.6249 -9.5850 -9.5576\n -9.5425 -9.4234 -9.3653 -9.3180 -9.3033 -9.2426 -9.1720 -9.0984\n -9.0317 -8.9805 -8.9610 -8.9245 -8.8392 -8.7410 -8.6717 -8.5846\n -8.5144 -8.2843 -8.1463 -8.0971 -7.7640 -7.6360 -7.3671 -7.2368\n -6.9945 -6.8565 -6.4052 -6.3504 -6.2796 -6.0881 -6.0698 -5.8572\n -5.5700 -4.9214 -4.7707 -4.7190 -4.4505 -4.1611 -4.1224 -4.0409\n -3.9943 -3.9070 -3.8083 -3.7000 -3.6831 -3.6283 -3.6145 -3.5285\n -3.4228 -3.1973 -3.0569 -2.8454 -2.4136 -2.2828 -0.7655 -0.3991\n -0.1590\n\n the Fermi energy is -6.0789 ev\n\n! total energy = -1655.77780001 Ry\n total all-electron energy = -6224.610148 Ry\n estimated scf accuracy < 2.1E-10 Ry\n smearing contrib. (-TS) = -0.00554088 Ry\n internal energy E=F+TS = -1655.77225913 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18418.93383568 Ry\n hartree contribution = 9242.35944170 Ry\n xc contribution = -312.79152277 Ry\n ewald contribution = 8261.56514036 Ry\n DFT-D3 Dispersion = -0.16582881 Ry\n one-center paw contrib. = -427.80565394 Ry\n\n convergence has been achieved in 29 iterations\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00041296 0.00169600 -0.00188033\n atom 2 type 1 force = -0.00029282 0.00016812 -0.00117894\n atom 3 type 2 force = 0.00044420 0.00036349 0.00015246\n atom 4 type 2 force = -0.00029362 -0.00123753 0.00194526\n atom 5 type 1 force = -0.00041073 0.00197994 -0.00033382\n atom 6 type 1 force = -0.00026922 0.00077644 -0.00019464\n atom 7 type 2 force = -0.00028311 -0.00027096 0.00195659\n atom 8 type 2 force = -0.00064387 -0.00036240 -0.00077490\n atom 9 type 1 force = 0.00035091 -0.00089112 0.00061804\n atom 10 type 1 force = -0.00147998 0.00216626 0.00042264\n atom 11 type 2 force = 0.00001120 0.00040041 0.00115901\n atom 12 type 2 force = 0.00116921 -0.00360636 -0.00144107\n atom 13 type 1 force = 0.00218080 -0.00112833 -0.00032075\n atom 14 type 1 force = 0.00206988 -0.00068018 -0.00060005\n atom 15 type 1 force = -0.00381731 0.00004885 0.00174465\n atom 16 type 2 force = 0.00236404 -0.00094272 -0.00221771\n atom 17 type 2 force = 0.00087566 -0.00182302 -0.00018282\n atom 18 type 1 force = -0.00058049 0.00166342 0.00097404\n atom 19 type 1 force = -0.00259016 0.00230828 0.00012087\n atom 20 type 2 force = 0.00101724 -0.00233068 0.00023203\n atom 21 type 2 force = 0.00204904 0.00073602 0.00017666\n atom 22 type 3 force = -0.00084281 0.00091709 0.00001673\n atom 23 type 1 force = -0.00106983 -0.00022288 0.00041431\n atom 24 type 1 force = -0.00007311 -0.00012797 -0.00118369\n atom 25 type 1 force = 0.00001831 -0.00075669 -0.00008285\n atom 26 type 1 force = 0.00060849 0.00024797 -0.00064763\n atom 27 type 1 force = -0.00018494 0.00061585 -0.00074325\n atom 28 type 1 force = -0.00088564 -0.00006937 -0.00064007\n atom 29 type 3 force = 0.00062212 0.00038765 -0.00052455\n atom 30 type 1 force = 0.00093370 0.00170749 0.00087683\n atom 31 type 1 force = 0.00047553 -0.00708823 0.00064570\n atom 32 type 2 force = -0.00206278 0.00277015 0.00047632\n atom 33 type 2 force = 0.00216060 0.00290699 -0.00004976\n atom 34 type 1 force = 0.00182828 0.00014080 0.00142313\n atom 35 type 1 force = -0.00111926 -0.00022885 -0.00142017\n atom 36 type 2 force = 0.00097221 -0.00051327 0.00081963\n atom 37 type 2 force = 0.00062506 0.00055082 -0.00022757\n atom 38 type 1 force = 0.00050387 -0.00122745 -0.00041061\n atom 39 type 1 force = -0.00046918 -0.00094863 0.00052938\n atom 40 type 1 force = -0.00035092 -0.00019406 -0.00009845\n atom 41 type 2 force = -0.00084807 0.00009354 0.00082439\n atom 42 type 2 force = 0.00041885 -0.00017104 -0.00010650\n atom 43 type 1 force = -0.00057443 -0.00020381 -0.00074102\n atom 44 type 1 force = -0.00056524 0.00080646 -0.00025411\n atom 45 type 2 force = -0.00126928 -0.00032827 0.00022368\n atom 46 type 2 force = -0.00066955 0.00112919 -0.00005936\n atom 47 type 1 force = 0.00022214 0.00002501 0.00023691\n atom 48 type 1 force = -0.00058608 0.00231590 -0.00004945\n atom 49 type 2 force = 0.00075289 -0.00085179 -0.00014894\n atom 50 type 2 force = -0.00002885 -0.00071654 0.00052377\n\n Total force = 0.015533 Total SCF correction = 0.000035\n Energy error = 1.5E-04 Ry\n Gradient error = 7.1E-03 Ry/Bohr\n\n number of scf cycles = 91\n number of bfgs steps = 90\n\n energy old = -1655.7776539315 Ry\n energy new = -1655.7778000103 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0504855244 bohr\n new conv_thr = 0.0000000001 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7940959224 9.6053390612 9.3667032636\nN 10.5773619096 9.7508054466 8.1468247386\nO 9.5922104456 9.1170920258 8.4922673947\nO 10.6944675343 10.6869923019 7.3895750668\nN 13.1791139099 8.3510542408 9.2833533903\nN 12.4106307225 6.9584818823 10.5928084987\nO 12.2648797639 7.4113727475 11.7036135874\nO 12.2435582388 5.8813225272 10.0898019322\nN 14.4689838924 7.9845026664 9.7038744646\nN 15.3453047548 8.3757392090 6.9419006495\nO 14.8771104479 9.4389717657 6.5771181377\nO 15.8413837489 7.4484368207 6.3391948386\nN 15.1466830834 8.8319930411 10.3671200132\nN 16.4693251992 8.5770922421 10.3154109301\nN 16.8211591985 6.7146626822 9.8616972074\nO 17.5066904797 6.6019254089 8.8837244214\nO 16.3053814973 5.9501838427 10.6341659192\nN 17.2668564715 9.2411583498 11.1281828191\nN 17.5092638035 8.5002375317 12.8693764645\nO 17.7789401698 7.3216201393 12.8539967297\nO 17.2718316554 9.2846351158 13.7518428515\nC 18.4799024712 9.5899992494 10.5134231597\nN 19.5534599158 8.6914363368 9.8339091926\nN 19.5445080644 9.6751737258 8.6009400516\nN 20.6239971769 10.5257106068 9.3104550272\nN 19.5473917535 11.4132709193 9.9754967017\nN 19.5367925946 10.4255004386 11.2103854411\nN 20.6242738824 9.5839172423 10.5054182126\nC 18.4781854672 10.5142578932 9.2906635597\nN 17.2657910784 10.9061590554 8.6841045236\nN 17.2582460007 11.4194211763 6.9997326852\nO 16.5561291667 12.3870963433 6.8292759533\nO 17.8437293397 10.6683582871 6.2577843947\nN 16.4435917932 11.5520759633 9.4893009237\nN 16.7537330901 13.3953442546 10.0128874489\nO 16.2049380642 14.1928660330 9.3007625239\nO 17.4782814156 13.4697520550 10.9665288445\nN 15.1365739574 11.2349023649 9.4686198214\nN 14.4310745450 12.0260324183 10.1688432183\nN 15.2652328884 11.6017447565 12.8919388581\nO 16.0828517774 12.3334349303 13.4020948342\nO 14.4997537911 10.7669675337 13.3216233923\nN 13.1342683414 11.6340445986 10.5448722456\nN 12.4833249574 13.1882502140 9.1753512914\nO 12.5734521186 12.8881422751 8.0102935346\nO 12.2135522011 14.1945573647 9.7752958231\nN 12.7479948339 10.3931592917 10.4093533796\nN 10.5865514038 10.4516202779 11.4931946860\nO 9.5908253110 10.7140952171 10.8326145627\nO 10.6990527929 10.1347683868 12.6530841225\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 6092.0 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 5 eigenvalues not converged\n ethr = 1.00E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 6102.2 secs\n\n total energy = -1655.77740056 Ry\n estimated scf accuracy < 0.00208560 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.78E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 6106.4 secs\n\n total energy = -1655.77701504 Ry\n estimated scf accuracy < 0.08827031 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.78E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 6110.5 secs\n\n total energy = -1655.77766333 Ry\n estimated scf accuracy < 0.00074546 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.78E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 6114.7 secs\n\n total energy = -1655.77770501 Ry\n estimated scf accuracy < 0.00041230 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.54E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 6119.4 secs\n\n total energy = -1655.77785089 Ry\n estimated scf accuracy < 0.00010354 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.86E-08, avg # of iterations = 11.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 6124.7 secs\n\n total energy = -1655.77795153 Ry\n estimated scf accuracy < 0.00007587 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.83E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 6129.1 secs\n\n total energy = -1655.77795850 Ry\n estimated scf accuracy < 0.00002666 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.95E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 6133.8 secs\n\n total energy = -1655.77796800 Ry\n estimated scf accuracy < 0.00000770 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.87E-09, avg # of iterations = 11.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 6139.1 secs\n\n total energy = -1655.77797344 Ry\n estimated scf accuracy < 0.00000520 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.94E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6143.4 secs\n\n total energy = -1655.77797386 Ry\n estimated scf accuracy < 0.00000171 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.39E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6148.5 secs\n\n total energy = -1655.77797481 Ry\n estimated scf accuracy < 0.00000113 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.21E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 6153.3 secs\n\n total energy = -1655.77797513 Ry\n estimated scf accuracy < 0.00000066 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.48E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6157.8 secs\n\n total energy = -1655.77797525 Ry\n estimated scf accuracy < 0.00000075 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.48E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 6162.2 secs\n\n total energy = -1655.77797530 Ry\n estimated scf accuracy < 0.00000050 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.86E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6166.5 secs\n\n total energy = -1655.77797533 Ry\n estimated scf accuracy < 0.00000010 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.57E-11, avg # of iterations = 14.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6172.3 secs\n\n total energy = -1655.77797548 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.57E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6176.6 secs\n\n total energy = -1655.77797548 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.17E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6181.3 secs\n\n total energy = -1655.77797550 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.49E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6185.8 secs\n\n total energy = -1655.77797551 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.79E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6190.9 secs\n\n total energy = -1655.77797552 Ry\n estimated scf accuracy < 8.3E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6195.6 secs\n\n total energy = -1655.77797552 Ry\n estimated scf accuracy < 6.8E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.53E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6199.9 secs\n\n total energy = -1655.77797552 Ry\n estimated scf accuracy < 2.3E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.59E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6205.1 secs\n\n total energy = -1655.77797552 Ry\n estimated scf accuracy < 1.7E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.48E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6209.4 secs\n\n total energy = -1655.77797552 Ry\n estimated scf accuracy < 3.6E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.48E-13, avg # of iterations = 1.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6213.6 secs\n\n total energy = -1655.77797553 Ry\n estimated scf accuracy < 6.2E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.31E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6218.2 secs\n\n total energy = -1655.77797553 Ry\n estimated scf accuracy < 2.0E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6223.6 secs\n\n total energy = -1655.77797553 Ry\n estimated scf accuracy < 1.7E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6227.2 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8735 -32.8038 -32.7893 -32.7251 -32.6446 -32.5380 -32.2350 -32.0474\n -32.0402 -32.0018 -30.6796 -29.6919 -29.2908 -29.0381 -28.9908 -28.8846\n -28.8646 -28.8540 -28.7864 -28.6487 -28.5127 -28.2672 -28.1668 -28.1222\n -27.5047 -26.8782 -25.6021 -24.8000 -24.3853 -24.0399 -22.8657 -22.0176\n -20.7302 -19.2411 -18.6937 -18.2441 -18.0253 -17.4571 -17.3970 -17.3328\n -17.1244 -16.9475 -16.6208 -16.5880 -16.5391 -16.4995 -16.4362 -16.4033\n -15.7802 -15.7383 -15.5385 -15.3385 -15.1979 -15.1049 -15.0162 -14.8792\n -14.7807 -14.7488 -14.6422 -14.6071 -14.5683 -14.4763 -14.4422 -14.3716\n -14.3177 -14.2932 -14.2573 -14.2300 -14.1841 -14.1583 -14.0674 -14.0319\n -14.0053 -13.8933 -13.8722 -13.8613 -13.8180 -13.7930 -13.7584 -13.7127\n -13.6556 -13.5806 -13.2440 -13.0502 -12.7293 -12.4121 -12.1605 -12.0843\n -11.8035 -11.5111 -11.4469 -11.3594 -10.9488 -10.7925 -10.4783 -10.0806\n -9.9251 -9.8075 -9.7564 -9.6898 -9.6261 -9.6174 -9.5722 -9.5569\n -9.5427 -9.4250 -9.3647 -9.3211 -9.3118 -9.2390 -9.1735 -9.0924\n -9.0336 -8.9820 -8.9601 -8.9215 -8.8365 -8.7469 -8.6728 -8.5928\n -8.5216 -8.2822 -8.1479 -8.1013 -7.7664 -7.6345 -7.3655 -7.2351\n -6.9968 -6.8567 -6.4087 -6.3489 -6.2779 -6.0889 -6.0704 -5.8592\n -5.5732 -4.9189 -4.7695 -4.7221 -4.4525 -4.1687 -4.1267 -4.0502\n -4.0032 -3.9114 -3.8091 -3.7001 -3.6864 -3.6363 -3.6154 -3.5313\n -3.4234 -3.1944 -3.0549 -2.8433 -2.4157 -2.2835 -0.7566 -0.4001\n -0.1594\n\n the Fermi energy is -6.0796 ev\n\n! total energy = -1655.77797553 Ry\n total all-electron energy = -6224.610323 Ry\n estimated scf accuracy < 8.0E-11 Ry\n smearing contrib. (-TS) = -0.00553966 Ry\n internal energy E=F+TS = -1655.77243588 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18420.75740188 Ry\n hartree contribution = 9243.28202660 Ry\n xc contribution = -312.77347140 Ry\n ewald contribution = 8262.44815127 Ry\n DFT-D3 Dispersion = -0.16590553 Ry\n one-center paw contrib. = -427.80583494 Ry\n\n convergence has been achieved in 28 iterations\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00009746 0.00095208 -0.00055368\n atom 2 type 1 force = 0.00001074 -0.00055301 -0.00049255\n atom 3 type 2 force = 0.00023655 0.00001262 0.00004494\n atom 4 type 2 force = -0.00046096 -0.00025387 0.00109621\n atom 5 type 1 force = -0.00031419 0.00175371 -0.00099183\n atom 6 type 1 force = -0.00175648 -0.00021230 0.00085678\n atom 7 type 2 force = 0.00016547 -0.00077148 0.00046058\n atom 8 type 2 force = -0.00005064 0.00133982 -0.00027283\n atom 9 type 1 force = 0.00072945 0.00002835 0.00058275\n atom 10 type 1 force = -0.00037506 -0.00003061 -0.00024632\n atom 11 type 2 force = 0.00039912 -0.00048271 0.00067113\n atom 12 type 2 force = -0.00040713 -0.00060677 -0.00038355\n atom 13 type 1 force = 0.00194417 -0.00141657 -0.00026347\n atom 14 type 1 force = 0.00147796 -0.00048540 -0.00051166\n atom 15 type 1 force = -0.00289123 -0.00101268 0.00070085\n atom 16 type 2 force = -0.00038017 -0.00160648 0.00168662\n atom 17 type 2 force = 0.00281059 -0.00006854 -0.00304920\n atom 18 type 1 force = -0.00075101 0.00084206 0.00055443\n atom 19 type 1 force = -0.00155081 0.00060515 0.00042182\n atom 20 type 2 force = -0.00002762 0.00105236 0.00068252\n atom 21 type 2 force = 0.00226786 -0.00072616 -0.00048066\n atom 22 type 3 force = 0.00008713 0.00093614 -0.00026841\n atom 23 type 1 force = -0.00113736 -0.00077841 0.00092269\n atom 24 type 1 force = -0.00047292 -0.00010131 -0.00161425\n atom 25 type 1 force = 0.00004409 -0.00074954 -0.00002962\n atom 26 type 1 force = 0.00033729 0.00034007 -0.00050001\n atom 27 type 1 force = -0.00037190 0.00072398 -0.00061892\n atom 28 type 1 force = -0.00080911 0.00019612 -0.00056530\n atom 29 type 3 force = 0.00075745 0.00042747 -0.00039255\n atom 30 type 1 force = 0.00058319 0.00180018 0.00074163\n atom 31 type 1 force = -0.00012315 -0.00424064 -0.00269806\n atom 32 type 2 force = 0.00213984 -0.00356438 0.00130182\n atom 33 type 2 force = -0.00101523 0.00640315 0.00291945\n atom 34 type 1 force = 0.00035656 0.00018237 0.00110307\n atom 35 type 1 force = 0.00036884 -0.00100123 -0.00062132\n atom 36 type 2 force = 0.00050084 -0.00021530 0.00050804\n atom 37 type 2 force = -0.00008044 0.00088331 -0.00074877\n atom 38 type 1 force = 0.00073504 -0.00007308 -0.00024759\n atom 39 type 1 force = 0.00066640 -0.00191126 0.00057281\n atom 40 type 1 force = -0.00050370 -0.00027007 -0.00033402\n atom 41 type 2 force = -0.00049239 0.00046003 0.00105059\n atom 42 type 2 force = 0.00016523 -0.00045609 -0.00001906\n atom 43 type 1 force = -0.00086290 0.00034324 -0.00131592\n atom 44 type 1 force = -0.00080583 0.00108287 0.00018885\n atom 45 type 2 force = -0.00130982 -0.00019327 0.00017118\n atom 46 type 2 force = -0.00053143 0.00082906 -0.00042477\n atom 47 type 1 force = 0.00036278 -0.00027128 -0.00000146\n atom 48 type 1 force = -0.00041563 0.00189228 0.00001813\n atom 49 type 2 force = 0.00017964 -0.00051206 0.00002014\n atom 50 type 2 force = 0.00066832 -0.00052193 0.00036875\n\n Total force = 0.014279 Total SCF correction = 0.000022\n Energy error = 1.8E-04 Ry\n Gradient error = 6.4E-03 Ry/Bohr\n\n number of scf cycles = 92\n number of bfgs steps = 91\n\n energy old = -1655.7778000103 Ry\n energy new = -1655.7779755326 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0279774506 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7951759378 9.6041969377 9.3669234562\nN 10.5766833318 9.7468371507 8.1471970061\nO 9.5921169997 9.1132954496 8.4939621777\nO 10.6933112340 10.6838894050 7.3914011178\nN 13.1795758997 8.3495854942 9.2880325531\nN 12.4089116996 6.9558939541 10.5963943267\nO 12.2623897498 7.4065338042 11.7080760661\nO 12.2388072132 5.8803259690 10.0910984283\nN 14.4694114685 7.9809951260 9.7098869369\nN 15.3458112116 8.3708335542 6.9400073663\nO 14.8817021955 9.4372210872 6.5791765690\nO 15.8424296518 7.4431614449 6.3373765147\nN 15.1497319429 8.8302452774 10.3681793425\nN 16.4718599674 8.5781784302 10.3142249282\nN 16.8248117255 6.7165186485 9.8578771989\nO 17.5113630427 6.6055420721 8.8806103871\nO 16.3136250402 5.9504512775 10.6316164696\nN 17.2668125808 9.2450740992 11.1277310274\nN 17.5079753535 8.5038840491 12.8695688809\nO 17.7758909119 7.3244321236 12.8538979337\nO 17.2801786601 9.2910488635 13.7525479463\nC 18.4795263424 9.5937885285 10.5116327006\nN 19.5522040805 8.6943282954 9.8311065898\nN 19.5445073110 9.6782260084 8.5981579408\nN 20.6241086418 10.5277446972 9.3082999832\nN 19.5481620312 11.4158283056 9.9730536728\nN 19.5370871659 10.4282378460 11.2076351298\nN 20.6235382091 9.5854946081 10.5026349178\nC 18.4791264206 10.5174699310 9.2880685030\nN 17.2671133214 10.9102010054 8.6828694403\nN 17.2536758181 11.4190102464 6.9980211716\nO 16.5423131914 12.3822397835 6.8271030416\nO 17.8485255244 10.6762192890 6.2551096110\nN 16.4440563509 11.5518071667 9.4908573843\nN 16.7508330520 13.3950141417 10.0138873946\nO 16.2025181521 14.1943452763 9.3033552371\nO 17.4787120261 13.4691753284 10.9651769569\nN 15.1373577588 11.2318578345 9.4684897262\nN 14.4300332199 12.0240569966 10.1656183653\nN 15.2659826778 11.6029928431 12.8942113062\nO 16.0830408389 12.3341513842 13.4065181726\nO 14.5017851436 10.7656798778 13.3226770288\nN 13.1346118569 11.6321916476 10.5447225106\nN 12.4814960576 13.1897618916 9.1758045999\nO 12.5679971162 12.8894737324 8.0106915430\nO 12.2115168086 14.1953503601 9.7769216570\nN 12.7485883371 10.3915578036 10.4107289962\nN 10.5864086318 10.4503306338 11.4948214573\nO 9.5907820367 10.7080496946 10.8322641758\nO 10.6985091028 10.1329488835 12.6545758851\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 6237.2 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 18.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 6246.3 secs\n\n total energy = -1655.77655729 Ry\n estimated scf accuracy < 0.01059654 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.95E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 6250.4 secs\n\n total energy = -1655.77485209 Ry\n estimated scf accuracy < 0.41717345 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.95E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 6254.5 secs\n\n total energy = -1655.77779850 Ry\n estimated scf accuracy < 0.00043632 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.63E-07, avg # of iterations = 11.0\n\n negative rho (up, down): 2.768E-02 0.000E+00\n\n total cpu time spent up to now is 6259.4 secs\n\n total energy = -1655.77808037 Ry\n estimated scf accuracy < 0.00082474 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.63E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.769E-02 0.000E+00\n\n total cpu time spent up to now is 6263.7 secs\n\n total energy = -1655.77809809 Ry\n estimated scf accuracy < 0.00033812 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.26E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.772E-02 0.000E+00\n\n total cpu time spent up to now is 6267.9 secs\n\n total energy = -1655.77810774 Ry\n estimated scf accuracy < 0.00003325 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.24E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 6273.4 secs\n\n total energy = -1655.77814772 Ry\n estimated scf accuracy < 0.00003296 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.23E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 6277.7 secs\n\n total energy = -1655.77814690 Ry\n estimated scf accuracy < 0.00011359 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.23E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 6282.0 secs\n\n total energy = -1655.77814869 Ry\n estimated scf accuracy < 0.00001954 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.29E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 6286.3 secs\n\n total energy = -1655.77814919 Ry\n estimated scf accuracy < 0.00006320 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.29E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 6290.5 secs\n\n total energy = -1655.77815053 Ry\n estimated scf accuracy < 0.00003206 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.29E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 6294.8 secs\n\n total energy = -1655.77815133 Ry\n estimated scf accuracy < 0.00000039 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-10, avg # of iterations = 37.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 6306.5 secs\n\n total energy = -1655.77815903 Ry\n estimated scf accuracy < 0.00000060 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 6310.8 secs\n\n total energy = -1655.77815905 Ry\n estimated scf accuracy < 0.00000061 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6315.0 secs\n\n total energy = -1655.77815900 Ry\n estimated scf accuracy < 0.00000066 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6319.2 secs\n\n total energy = -1655.77815897 Ry\n estimated scf accuracy < 0.00000048 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6323.5 secs\n\n total energy = -1655.77815900 Ry\n estimated scf accuracy < 0.00000036 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.33E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6327.7 secs\n\n total energy = -1655.77815896 Ry\n estimated scf accuracy < 0.00000043 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.33E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 6331.9 secs\n\n total energy = -1655.77815888 Ry\n estimated scf accuracy < 0.00000028 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.06E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6336.2 secs\n\n total energy = -1655.77815888 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.38E-11, avg # of iterations = 15.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 6341.7 secs\n\n total energy = -1655.77815894 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.38E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 6346.0 secs\n\n total energy = -1655.77815894 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6350.2 secs\n\n total energy = -1655.77815894 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.38E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6354.6 secs\n\n total energy = -1655.77815895 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.38E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6359.2 secs\n\n total energy = -1655.77815896 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.83E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6363.6 secs\n\n total energy = -1655.77815896 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.27E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6367.9 secs\n\n total energy = -1655.77815896 Ry\n estimated scf accuracy < 3.9E-09 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6372.8 secs\n\n total energy = -1655.77815896 Ry\n estimated scf accuracy < 3.9E-09 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.44E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6377.1 secs\n\n total energy = -1655.77815896 Ry\n estimated scf accuracy < 2.7E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.01E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6381.7 secs\n\n total energy = -1655.77815896 Ry\n estimated scf accuracy < 9.1E-10 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.40E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6386.4 secs\n\n total energy = -1655.77815896 Ry\n estimated scf accuracy < 5.1E-10 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.92E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6391.0 secs\n\n total energy = -1655.77815897 Ry\n estimated scf accuracy < 1.1E-09 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.92E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6394.6 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8635 -32.8045 -32.7666 -32.7170 -32.6421 -32.5410 -32.2223 -32.0521\n -32.0423 -32.0103 -30.6839 -29.6899 -29.2890 -29.0242 -28.9895 -28.8667\n -28.8584 -28.8490 -28.7909 -28.6478 -28.4994 -28.2808 -28.1747 -28.1292\n -27.5024 -26.8755 -25.6018 -24.8024 -24.3875 -24.0368 -22.8596 -22.0186\n -20.7266 -19.2392 -18.6943 -18.2389 -18.0292 -17.4573 -17.3934 -17.3313\n -17.1213 -16.9459 -16.6201 -16.5852 -16.5418 -16.5096 -16.4390 -16.4033\n -15.7791 -15.7372 -15.5345 -15.3328 -15.1977 -15.1009 -15.0123 -14.8760\n -14.7743 -14.7392 -14.6400 -14.6022 -14.5642 -14.4729 -14.4399 -14.3728\n -14.3088 -14.2916 -14.2550 -14.2274 -14.1785 -14.1612 -14.0708 -14.0255\n -13.9972 -13.9041 -13.8767 -13.8630 -13.8217 -13.7977 -13.7551 -13.7151\n -13.6589 -13.5865 -13.2429 -13.0510 -12.7272 -12.4113 -12.1580 -12.0833\n -11.8033 -11.5104 -11.4439 -11.3564 -10.9491 -10.7892 -10.4783 -10.0759\n -9.9229 -9.8058 -9.7546 -9.6872 -9.6224 -9.6142 -9.5669 -9.5576\n -9.5423 -9.4197 -9.3636 -9.3318 -9.3169 -9.2310 -9.1715 -9.0911\n -9.0361 -8.9828 -8.9588 -8.9137 -8.8287 -8.7616 -8.6753 -8.5976\n -8.5269 -8.2778 -8.1490 -8.1045 -7.7640 -7.6295 -7.3635 -7.2312\n -6.9969 -6.8555 -6.4086 -6.3485 -6.2772 -6.0893 -6.0710 -5.8618\n -5.5770 -4.9187 -4.7662 -4.7197 -4.4504 -4.1741 -4.1249 -4.0476\n -4.0045 -3.9104 -3.8118 -3.6994 -3.6873 -3.6478 -3.6166 -3.5328\n -3.4244 -3.1944 -3.0525 -2.8417 -2.4157 -2.2828 -0.7538 -0.4004\n -0.1590\n\n the Fermi energy is -6.0801 ev\n\n! total energy = -1655.77815897 Ry\n total all-electron energy = -6224.610507 Ry\n estimated scf accuracy < 1.5E-10 Ry\n smearing contrib. (-TS) = -0.00554092 Ry\n internal energy E=F+TS = -1655.77261805 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18418.21316434 Ry\n hartree contribution = 9242.01951969 Ry\n xc contribution = -312.76900974 Ry\n ewald contribution = 8261.16194658 Ry\n DFT-D3 Dispersion = -0.16583864 Ry\n one-center paw contrib. = -427.80607160 Ry\n\n convergence has been achieved in 33 iterations\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00034185 0.00026014 0.00049097\n atom 2 type 1 force = 0.00036611 -0.00075798 0.00002321\n atom 3 type 2 force = -0.00004806 -0.00020531 -0.00005373\n atom 4 type 2 force = -0.00007687 0.00021403 0.00060227\n atom 5 type 1 force = 0.00006059 0.00080846 -0.00144395\n atom 6 type 1 force = -0.00210802 -0.00000061 0.00101658\n atom 7 type 2 force = 0.00037800 -0.00059851 0.00033443\n atom 8 type 2 force = 0.00017003 0.00126928 -0.00048014\n atom 9 type 1 force = 0.00072408 0.00065234 0.00026444\n atom 10 type 1 force = -0.00001200 -0.00084747 0.00033265\n atom 11 type 2 force = 0.00086503 -0.00148510 0.00003225\n atom 12 type 2 force = -0.00128778 0.00117304 -0.00032388\n atom 13 type 1 force = 0.00046234 -0.00104747 -0.00039952\n atom 14 type 1 force = 0.00080665 -0.00027540 -0.00041219\n atom 15 type 1 force = -0.00214231 -0.00119084 0.00150270\n atom 16 type 2 force = -0.00035927 -0.00153099 0.00091200\n atom 17 type 2 force = 0.00233489 -0.00026547 -0.00290646\n atom 18 type 1 force = -0.00020358 0.00034535 -0.00007097\n atom 19 type 1 force = -0.00007846 0.00043517 0.00105079\n atom 20 type 2 force = -0.00080695 0.00234892 0.00088575\n atom 21 type 2 force = 0.00203742 -0.00172996 -0.00141208\n atom 22 type 3 force = 0.00049306 0.00054328 -0.00026325\n atom 23 type 1 force = -0.00071764 -0.00100880 0.00103369\n atom 24 type 1 force = -0.00068808 -0.00032448 -0.00136068\n atom 25 type 1 force = -0.00002754 -0.00070012 -0.00029158\n atom 26 type 1 force = 0.00021142 0.00043073 -0.00052032\n atom 27 type 1 force = -0.00027665 0.00083424 -0.00022617\n atom 28 type 1 force = -0.00048812 0.00045086 -0.00033077\n atom 29 type 3 force = 0.00039552 0.00048849 0.00003794\n atom 30 type 1 force = -0.00017050 0.00148438 0.00059997\n atom 31 type 1 force = -0.00195053 0.00049269 -0.00364549\n atom 32 type 2 force = 0.00466344 -0.00759543 0.00204591\n atom 33 type 2 force = -0.00177958 0.00628235 0.00380562\n atom 34 type 1 force = 0.00024600 0.00002297 -0.00001530\n atom 35 type 1 force = 0.00102420 -0.00044624 -0.00050667\n atom 36 type 2 force = 0.00009340 -0.00052622 0.00012724\n atom 37 type 2 force = -0.00020217 0.00063899 -0.00046841\n atom 38 type 1 force = 0.00030716 0.00024303 -0.00025045\n atom 39 type 1 force = 0.00085412 -0.00143312 0.00094755\n atom 40 type 1 force = -0.00079282 -0.00069493 0.00038940\n atom 41 type 2 force = -0.00082558 0.00020645 0.00072517\n atom 42 type 2 force = 0.00079750 0.00022928 -0.00045851\n atom 43 type 1 force = -0.00061145 0.00062990 -0.00143722\n atom 44 type 1 force = -0.00090544 0.00097708 0.00068235\n atom 45 type 2 force = -0.00121744 -0.00017874 -0.00013446\n atom 46 type 2 force = -0.00037415 0.00071406 -0.00051695\n atom 47 type 1 force = 0.00008759 -0.00013973 -0.00032314\n atom 48 type 1 force = -0.00047576 0.00129665 -0.00023617\n atom 49 type 2 force = 0.00018329 -0.00019793 0.00026727\n atom 50 type 2 force = 0.00072304 -0.00029130 0.00037831\n\n Total force = 0.015976 Total SCF correction = 0.000028\n Energy error = 1.8E-04 Ry\n Gradient error = 7.6E-03 Ry/Bohr\n\n number of scf cycles = 93\n number of bfgs steps = 92\n\n energy old = -1655.7779755326 Ry\n energy new = -1655.7781589717 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0355209477 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7959042716 9.6015648619 9.3671012062\nN 10.5765109812 9.7421875844 8.1504191330\nO 9.5920830896 9.1093817958 8.4981582087\nO 10.6936101936 10.6796986922 7.3954386908\nN 13.1790357385 8.3455956407 9.2960300703\nN 12.4055557007 6.9543605240 10.6024577894\nO 12.2588426635 7.3981349034 11.7168495233\nO 12.2297721936 5.8835089847 10.0892775386\nN 14.4702078589 7.9755516807 9.7190679508\nN 15.3449952770 8.3621585138 6.9370527815\nO 14.8891715176 9.4336757664 6.5813910624\nO 15.8434533673 7.4357215330 6.3332255274\nN 15.1541228661 8.8278569755 10.3683826658\nN 16.4757160876 8.5781906986 10.3132471656\nN 16.8284825072 6.7178281737 9.8539437692\nO 17.5178502545 6.6114359287 8.8767782826\nO 16.3254222401 5.9465518697 10.6280674099\nN 17.2674768966 9.2497925992 11.1268943430\nN 17.5073710707 8.5095049038 12.8690473449\nO 17.7701172271 7.3286052763 12.8533220389\nO 17.2945978698 9.2998107637 13.7526520459\nC 18.4795755045 9.5991132136 10.5087747511\nN 19.5504535945 8.6976094016 9.8278039618\nN 19.5443410844 9.6817897945 8.5934187992\nN 20.6245330108 10.5298043510 9.3046873523\nN 19.5497498613 11.4195390692 9.9687818901\nN 19.5378036831 10.4326208947 11.2034881381\nN 20.6226849019 9.5878588703 10.4984454216\nC 18.4804484388 10.5219212689 9.2843378768\nN 17.2682201389 10.9153834997 8.6812862506\nN 17.2477523318 11.4184671496 6.9974898113\nO 16.5255123320 12.3738418087 6.8278294631\nO 17.8573995069 10.6895529596 6.2526494573\nN 16.4447037954 11.5519802177 9.4922144277\nN 16.7481776439 13.3936014558 10.0137357150\nO 16.1987910147 14.1949246102 9.3064800810\nO 17.4810905074 13.4678927900 10.9615745231\nN 15.1381340536 11.2293073528 9.4683872448\nN 14.4290680026 12.0232432004 10.1620748823\nN 15.2665639558 11.6045905467 12.8988732267\nO 16.0817190225 12.3354029604 13.4154037280\nO 14.5046741564 10.7635803333 13.3243051251\nN 13.1349590118 11.6306140607 10.5427319984\nN 12.4760879520 13.1933635904 9.1760815471\nO 12.5565380925 12.8920268336 8.0107666125\nO 12.2066620007 14.1988626145 9.7778733417\nN 12.7520122830 10.3895934813 10.4113875100\nN 10.5862861951 10.4466484308 11.4950754195\nO 9.5910417103 10.6995591978 10.8301390254\nO 10.6974093843 10.1318666310 12.6558996035\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 6404.6 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 22.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 6415.6 secs\n\n total energy = -1655.77702531 Ry\n estimated scf accuracy < 0.00988849 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.69E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 6419.7 secs\n\n total energy = -1655.77509851 Ry\n estimated scf accuracy < 0.42405634 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.69E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 6423.8 secs\n\n total energy = -1655.77809965 Ry\n estimated scf accuracy < 0.00048456 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.81E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 6428.4 secs\n\n total energy = -1655.77829086 Ry\n estimated scf accuracy < 0.00066282 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.81E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 6432.7 secs\n\n total energy = -1655.77831247 Ry\n estimated scf accuracy < 0.00049953 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.81E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 6436.9 secs\n\n total energy = -1655.77832653 Ry\n estimated scf accuracy < 0.00043435 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.798E-02 0.000E+00\n\n total cpu time spent up to now is 6441.1 secs\n\n total energy = -1655.77833718 Ry\n estimated scf accuracy < 0.00063994 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.62E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6445.4 secs\n\n total energy = -1655.77834958 Ry\n estimated scf accuracy < 0.00012139 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.53E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6449.9 secs\n\n total energy = -1655.77836447 Ry\n estimated scf accuracy < 0.00001422 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.31E-09, avg # of iterations = 19.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6455.9 secs\n\n total energy = -1655.77839781 Ry\n estimated scf accuracy < 0.00004653 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.31E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6460.2 secs\n\n total energy = -1655.77839817 Ry\n estimated scf accuracy < 0.00004985 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.31E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 6464.5 secs\n\n total energy = -1655.77839900 Ry\n estimated scf accuracy < 0.00001029 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.84E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6468.7 secs\n\n total energy = -1655.77839996 Ry\n estimated scf accuracy < 0.00001112 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.84E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6472.9 secs\n\n total energy = -1655.77840068 Ry\n estimated scf accuracy < 0.00001360 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.84E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6477.1 secs\n\n total energy = -1655.77840022 Ry\n estimated scf accuracy < 0.00001552 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.84E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6481.3 secs\n\n total energy = -1655.77840048 Ry\n estimated scf accuracy < 0.00001408 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.84E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6485.6 secs\n\n total energy = -1655.77839855 Ry\n estimated scf accuracy < 0.00001447 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.84E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 6489.8 secs\n\n total energy = -1655.77839744 Ry\n estimated scf accuracy < 0.00000768 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.86E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 6494.1 secs\n\n total energy = -1655.77839757 Ry\n estimated scf accuracy < 0.00000238 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.88E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 6498.7 secs\n\n total energy = -1655.77839787 Ry\n estimated scf accuracy < 0.00000121 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.52E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 6503.8 secs\n\n total energy = -1655.77839880 Ry\n estimated scf accuracy < 0.00000035 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.30E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 6508.6 secs\n\n total energy = -1655.77839895 Ry\n estimated scf accuracy < 0.00000015 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.75E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 6513.3 secs\n\n total energy = -1655.77839902 Ry\n estimated scf accuracy < 0.00000018 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.75E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 6517.7 secs\n\n total energy = -1655.77839905 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.52E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 6522.0 secs\n\n total energy = -1655.77839907 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.25E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 6527.5 secs\n\n total energy = -1655.77839910 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.20E-12, avg # of iterations = 11.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6532.2 secs\n\n total energy = -1655.77839912 Ry\n estimated scf accuracy < 7.9E-09 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.94E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 6537.5 secs\n\n total energy = -1655.77839913 Ry\n estimated scf accuracy < 9.4E-09 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.94E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 6541.8 secs\n\n total energy = -1655.77839914 Ry\n estimated scf accuracy < 3.4E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.28E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6546.2 secs\n\n total energy = -1655.77839914 Ry\n estimated scf accuracy < 3.1E-09 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.17E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6550.5 secs\n\n total energy = -1655.77839915 Ry\n estimated scf accuracy < 7.8E-10 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.92E-13, avg # of iterations = 14.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6556.2 secs\n\n total energy = -1655.77839915 Ry\n estimated scf accuracy < 4.3E-10 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.60E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6560.8 secs\n\n total energy = -1655.77839915 Ry\n estimated scf accuracy < 2.6E-10 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6565.3 secs\n\n total energy = -1655.77839915 Ry\n estimated scf accuracy < 2.5E-10 Ry\n\n iteration # 35 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 6568.8 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8547 -32.7846 -32.7695 -32.7192 -32.6430 -32.5397 -32.2157 -32.0525\n -32.0474 -32.0161 -30.6859 -29.6891 -29.2897 -29.0079 -28.9668 -28.8666\n -28.8581 -28.8512 -28.7911 -28.6492 -28.4898 -28.2942 -28.1820 -28.1312\n -27.5022 -26.8760 -25.6029 -24.8018 -24.3898 -24.0336 -22.8534 -22.0207\n -20.7252 -19.2375 -18.6978 -18.2349 -18.0416 -17.4616 -17.3938 -17.3313\n -17.1221 -16.9447 -16.6192 -16.5825 -16.5446 -16.5188 -16.4418 -16.4033\n -15.7804 -15.7369 -15.5286 -15.3304 -15.1959 -15.0986 -15.0125 -14.8737\n -14.7706 -14.7366 -14.6324 -14.5998 -14.5616 -14.4728 -14.4412 -14.3713\n -14.2989 -14.2873 -14.2491 -14.2267 -14.1779 -14.1632 -14.0739 -14.0209\n -13.9926 -13.9148 -13.8834 -13.8623 -13.8227 -13.8029 -13.7536 -13.7172\n -13.6599 -13.5922 -13.2399 -13.0515 -12.7261 -12.4104 -12.1550 -12.0836\n -11.8034 -11.5104 -11.4405 -11.3525 -10.9501 -10.7862 -10.4801 -10.0710\n -9.9227 -9.8077 -9.7523 -9.6871 -9.6189 -9.6130 -9.5667 -9.5574\n -9.5400 -9.4163 -9.3643 -9.3408 -9.3218 -9.2243 -9.1671 -9.0912\n -9.0372 -8.9822 -8.9532 -8.9075 -8.8224 -8.7748 -8.6790 -8.6011\n -8.5302 -8.2764 -8.1523 -8.1078 -7.7648 -7.6239 -7.3624 -7.2292\n -6.9984 -6.8557 -6.4087 -6.3515 -6.2799 -6.0918 -6.0735 -5.8655\n -5.5799 -4.9187 -4.7604 -4.7181 -4.4408 -4.1792 -4.1232 -4.0471\n -4.0058 -3.9115 -3.8160 -3.6987 -3.6888 -3.6586 -3.6191 -3.5347\n -3.4241 -3.1938 -3.0501 -2.8416 -2.4177 -2.2809 -0.7599 -0.4012\n -0.1593\n\n the Fermi energy is -6.0826 ev\n\n! total energy = -1655.77839916 Ry\n total all-electron energy = -6224.610747 Ry\n estimated scf accuracy < 1.3E-10 Ry\n smearing contrib. (-TS) = -0.00554251 Ry\n internal energy E=F+TS = -1655.77285666 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18414.27435923 Ry\n hartree contribution = 9240.05301537 Ry\n xc contribution = -312.76658108 Ry\n ewald contribution = 8259.18707954 Ry\n DFT-D3 Dispersion = -0.16570234 Ry\n one-center paw contrib. = -427.80630892 Ry\n\n convergence has been achieved in 35 iterations\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00136174 -0.00057264 0.00173382\n atom 2 type 1 force = 0.00044019 -0.00063532 0.00005393\n atom 3 type 2 force = -0.00010626 -0.00044532 -0.00023448\n atom 4 type 2 force = -0.00032708 0.00024111 0.00049392\n atom 5 type 1 force = 0.00070829 0.00023954 -0.00184471\n atom 6 type 1 force = -0.00250056 -0.00001021 0.00074698\n atom 7 type 2 force = 0.00072286 -0.00033839 0.00006703\n atom 8 type 2 force = 0.00037375 0.00108779 -0.00027788\n atom 9 type 1 force = 0.00009711 0.00105791 -0.00042759\n atom 10 type 1 force = 0.00050337 -0.00190924 0.00082239\n atom 11 type 2 force = 0.00101762 -0.00183724 -0.00056281\n atom 12 type 2 force = -0.00199890 0.00255582 -0.00021932\n atom 13 type 1 force = -0.00107440 -0.00027776 -0.00005422\n atom 14 type 1 force = -0.00026177 0.00026679 -0.00011589\n atom 15 type 1 force = 0.00089026 -0.00255014 0.00031139\n atom 16 type 2 force = -0.00236552 -0.00128556 0.00255143\n atom 17 type 2 force = 0.00197347 0.00063382 -0.00336910\n atom 18 type 1 force = 0.00022726 -0.00038283 -0.00095491\n atom 19 type 1 force = 0.00186438 -0.00043144 0.00109585\n atom 20 type 2 force = -0.00152848 0.00304227 0.00075789\n atom 21 type 2 force = 0.00133164 -0.00140584 -0.00150272\n atom 22 type 3 force = 0.00084484 -0.00008584 -0.00016652\n atom 23 type 1 force = 0.00007230 -0.00066050 0.00085760\n atom 24 type 1 force = -0.00086130 -0.00061035 -0.00030191\n atom 25 type 1 force = -0.00013001 -0.00049487 -0.00071624\n atom 26 type 1 force = -0.00016059 0.00030424 -0.00072540\n atom 27 type 1 force = -0.00012748 0.00077345 0.00008659\n atom 28 type 1 force = 0.00030276 0.00065118 0.00004614\n atom 29 type 3 force = -0.00014745 0.00008971 0.00042802\n atom 30 type 1 force = 0.00004353 0.00038361 0.00003271\n atom 31 type 1 force = -0.00098997 0.00272859 -0.00397735\n atom 32 type 2 force = 0.00408939 -0.00775975 0.00188862\n atom 33 type 2 force = -0.00253706 0.00543724 0.00490605\n atom 34 type 1 force = -0.00070809 0.00018927 -0.00074514\n atom 35 type 1 force = 0.00212340 0.00012281 0.00019316\n atom 36 type 2 force = -0.00054643 -0.00052465 -0.00064026\n atom 37 type 2 force = -0.00052295 0.00023847 -0.00036264\n atom 38 type 1 force = 0.00010599 0.00078590 -0.00019719\n atom 39 type 1 force = 0.00103480 -0.00105950 0.00093618\n atom 40 type 1 force = -0.00026771 -0.00028653 0.00093911\n atom 41 type 2 force = -0.00108470 0.00006219 0.00020958\n atom 42 type 2 force = 0.00057066 -0.00001530 -0.00060246\n atom 43 type 1 force = -0.00023084 0.00099142 -0.00125538\n atom 44 type 1 force = -0.00085923 0.00076271 0.00070190\n atom 45 type 2 force = -0.00108247 -0.00000552 0.00003121\n atom 46 type 2 force = -0.00006160 0.00020219 -0.00059207\n atom 47 type 1 force = -0.00093240 -0.00016456 -0.00065786\n atom 48 type 1 force = -0.00013812 0.00085229 0.00013064\n atom 49 type 2 force = -0.00006865 0.00009171 0.00055907\n atom 50 type 2 force = 0.00092039 -0.00004274 -0.00007715\n\n Total force = 0.017226 Total SCF correction = 0.000030\n Energy error = 2.4E-04 Ry\n Gradient error = 7.8E-03 Ry/Bohr\n\n number of scf cycles = 94\n number of bfgs steps = 93\n\n energy old = -1655.7781589717 Ry\n energy new = -1655.7783991645 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0565811858 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.7998439537 9.5962178346 9.3705692827\nN 10.5759684802 9.7353934229 8.1535737382\nO 9.5910594640 9.1039675367 8.5020708646\nO 10.6940260000 10.6718951426 7.3972231133\nN 13.1795338190 8.3386357384 9.3049711287\nN 12.4036005627 6.9511298991 10.6108448316\nO 12.2533837991 7.3887738258 11.7273219702\nO 12.2255282351 5.8850394016 10.0886845802\nN 14.4725626446 7.9689620784 9.7267752118\nN 15.3460511633 8.3519836313 6.9392078063\nO 14.9013224088 9.4297370654 6.5881540357\nO 15.8415309725 7.4264529200 6.3304209821\nN 15.1584075998 8.8252902089 10.3679229588\nN 16.4802298496 8.5795555811 10.3109932515\nN 16.8355286313 6.7197197869 9.8473056537\nO 17.5241855080 6.6173022253 8.8697560226\nO 16.3405930311 5.9443419445 10.6203721416\nN 17.2686986477 9.2561476066 11.1242131382\nN 17.5082042497 8.5196717051 12.8699026054\nO 17.7608869512 7.3368354060 12.8566715668\nO 17.3110987284 9.3146984439 13.7525148642\nC 18.4799110131 9.6062993781 10.5044994802\nN 19.5484807964 8.7025478601 9.8238171261\nN 19.5429996331 9.6862768941 8.5872169340\nN 20.6242763073 10.5335268594 9.2985788456\nN 19.5503312532 11.4252470622 9.9619259370\nN 19.5380762118 10.4397662906 11.1975748475\nN 20.6219054682 9.5928905425 10.4926813484\nC 18.4809542085 10.5276140111 9.2790856565\nN 17.2686190574 10.9209285393 8.6781080154\nN 17.2377676888 11.4192680803 6.9954979100\nO 16.4982133297 12.3615508309 6.8273956271\nO 17.8639698378 10.7060565582 6.2505092022\nN 16.4443259267 11.5525986270 9.4924749523\nN 16.7447795398 13.3918436573 10.0131945768\nO 16.1931894543 14.1935680533 9.3077135087\nO 17.4796869985 13.4677443308 10.9597605553\nN 15.1388728734 11.2269150135 9.4698363108\nN 14.4289770781 12.0215479469 10.1617651949\nN 15.2671022591 11.6056609686 12.9023796490\nO 16.0789017118 12.3370311635 13.4237622414\nO 14.5101843191 10.7576323191 13.3230375438\nN 13.1357886713 11.6278027921 10.5426758567\nN 12.4725723927 13.1972000890 9.1784088801\nO 12.5448727657 12.8956844454 8.0125527798\nO 12.2064233559 14.2028257766 9.7815535381\nN 12.7570569237 10.3850268522 10.4137100196\nN 10.5856366596 10.4400718607 11.4953619877\nO 9.5904419324 10.6884026191 10.8283722024\nO 10.6961306759 10.1303974316 12.6578812571\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n total cpu time spent up to now is 6578.9 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 22.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 6590.6 secs\n\n total energy = -1655.77809519 Ry\n estimated scf accuracy < 0.00235318 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.78E-07, avg # of iterations = 7.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 6594.9 secs\n\n total energy = -1655.77804100 Ry\n estimated scf accuracy < 0.02755895 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.78E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 6599.0 secs\n\n total energy = -1655.77825087 Ry\n estimated scf accuracy < 0.00248233 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.78E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 6603.2 secs\n\n total energy = -1655.77830862 Ry\n estimated scf accuracy < 0.00020543 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.67E-08, avg # of iterations = 14.0\n\n negative rho (up, down): 2.787E-02 0.000E+00\n\n total cpu time spent up to now is 6608.6 secs\n\n total energy = -1655.77858192 Ry\n estimated scf accuracy < 0.00013752 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.13E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 6612.9 secs\n\n total energy = -1655.77859096 Ry\n estimated scf accuracy < 0.00004430 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.65E-08, avg # of iterations = 6.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 6617.3 secs\n\n total energy = -1655.77859806 Ry\n estimated scf accuracy < 0.00003159 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.18E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 6621.7 secs\n\n total energy = -1655.77860359 Ry\n estimated scf accuracy < 0.00000642 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.40E-09, avg # of iterations = 14.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 6627.6 secs\n\n total energy = -1655.77861494 Ry\n estimated scf accuracy < 0.00000333 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.24E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 6632.0 secs\n\n total energy = -1655.77861489 Ry\n estimated scf accuracy < 0.00000317 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.18E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6636.4 secs\n\n total energy = -1655.77861493 Ry\n estimated scf accuracy < 0.00000270 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.01E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6640.9 secs\n\n total energy = -1655.77861521 Ry\n estimated scf accuracy < 0.00000026 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 4 eigenvalues not converged\n ethr = 9.56E-11, avg # of iterations = 20.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6648.3 secs\n\n total energy = -1655.77861643 Ry\n estimated scf accuracy < 0.00000077 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.56E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 6652.6 secs\n\n total energy = -1655.77861640 Ry\n estimated scf accuracy < 0.00000042 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.56E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 6657.5 secs\n\n total energy = -1655.77861640 Ry\n estimated scf accuracy < 0.00000018 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.84E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 6661.9 secs\n\n total energy = -1655.77861641 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.97E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 6667.2 secs\n\n total energy = -1655.77861645 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.46E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 6672.5 secs\n\n total energy = -1655.77861646 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.37E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 6677.0 secs\n\n total energy = -1655.77861646 Ry\n estimated scf accuracy < 5.6E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.11E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 6681.9 secs\n\n total energy = -1655.77861647 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.11E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 6686.4 secs\n\n total energy = -1655.77861648 Ry\n estimated scf accuracy < 1.7E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.16E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6691.5 secs\n\n total energy = -1655.77861648 Ry\n estimated scf accuracy < 7.4E-10 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.76E-13, avg # of iterations = 14.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6697.0 secs\n\n total energy = -1655.77861648 Ry\n estimated scf accuracy < 7.6E-10 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.76E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6701.4 secs\n\n total energy = -1655.77861649 Ry\n estimated scf accuracy < 3.4E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.29E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6706.4 secs\n\n total energy = -1655.77861649 Ry\n estimated scf accuracy < 3.0E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.11E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 6710.1 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8473 -32.8031 -32.7843 -32.7267 -32.6455 -32.5388 -32.2136 -32.0483\n -32.0384 -32.0123 -30.6857 -29.6930 -29.2938 -28.9948 -28.9748 -28.8784\n -28.8656 -28.8554 -28.7901 -28.6535 -28.4863 -28.2832 -28.1814 -28.1262\n -27.5025 -26.8783 -25.6025 -24.8001 -24.3901 -24.0356 -22.8526 -22.0220\n -20.7272 -19.2339 -18.7022 -18.2335 -18.0527 -17.4609 -17.3969 -17.3266\n -17.1248 -16.9440 -16.6194 -16.5832 -16.5436 -16.5186 -16.4407 -16.4030\n -15.7847 -15.7367 -15.5274 -15.3322 -15.1938 -15.1003 -15.0126 -14.8738\n -14.7705 -14.7408 -14.6387 -14.5996 -14.5633 -14.4756 -14.4449 -14.3689\n -14.2937 -14.2856 -14.2475 -14.2305 -14.1821 -14.1640 -14.0727 -14.0206\n -13.9913 -13.9100 -13.8781 -13.8580 -13.8204 -13.8013 -13.7521 -13.7151\n -13.6558 -13.5856 -13.2426 -13.0532 -12.7276 -12.4142 -12.1551 -12.0876\n -11.8047 -11.5112 -11.4378 -11.3493 -10.9519 -10.7843 -10.4830 -10.0665\n -9.9241 -9.8104 -9.7517 -9.6880 -9.6175 -9.6164 -9.5693 -9.5581\n -9.5415 -9.4163 -9.3650 -9.3369 -9.3228 -9.2212 -9.1639 -9.0945\n -9.0367 -8.9818 -8.9490 -8.9067 -8.8217 -8.7697 -8.6819 -8.6011\n -8.5288 -8.2786 -8.1567 -8.1099 -7.7671 -7.6201 -7.3628 -7.2276\n -6.9944 -6.8545 -6.4091 -6.3537 -6.2821 -6.0954 -6.0770 -5.8698\n -5.5823 -4.9208 -4.7558 -4.7170 -4.4330 -4.1762 -4.1219 -4.0412\n -4.0016 -3.9167 -3.8192 -3.7001 -3.6898 -3.6596 -3.6219 -3.5337\n -3.4251 -3.1930 -3.0477 -2.8436 -2.4205 -2.2781 -0.7686 -0.4016\n -0.1604\n\n the Fermi energy is -6.0862 ev\n\n! total energy = -1655.77861650 Ry\n total all-electron energy = -6224.610964 Ry\n estimated scf accuracy < 1.9E-10 Ry\n smearing contrib. (-TS) = -0.00554018 Ry\n internal energy E=F+TS = -1655.77307632 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18412.50855978 Ry\n hartree contribution = 9239.17021940 Ry\n xc contribution = -312.77101862 Ry\n ewald contribution = 8258.30843885 Ry\n DFT-D3 Dispersion = -0.16563863 Ry\n one-center paw contrib. = -427.80651754 Ry\n\n convergence has been achieved in 26 iterations\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00152561 -0.00059295 0.00186279\n atom 2 type 1 force = 0.00048555 -0.00026166 -0.00026301\n atom 3 type 2 force = 0.00010155 -0.00065613 -0.00038183\n atom 4 type 2 force = -0.00072008 -0.00001774 0.00074007\n atom 5 type 1 force = 0.00130361 0.00006022 -0.00186755\n atom 6 type 1 force = -0.00273416 0.00020808 0.00032348\n atom 7 type 2 force = 0.00112752 -0.00057599 -0.00073103\n atom 8 type 2 force = 0.00038893 0.00096939 0.00054632\n atom 9 type 1 force = -0.00001012 0.00114119 -0.00074383\n atom 10 type 1 force = 0.00104621 -0.00282275 -0.00000032\n atom 11 type 2 force = 0.00085735 -0.00173055 -0.00046171\n atom 12 type 2 force = -0.00245419 0.00329415 0.00045391\n atom 13 type 1 force = -0.00165825 -0.00004155 0.00028573\n atom 14 type 1 force = -0.00124045 0.00056438 0.00024042\n atom 15 type 1 force = 0.00267865 -0.00150012 -0.00052741\n atom 16 type 2 force = -0.00144756 -0.00064535 0.00048450\n atom 17 type 2 force = -0.00033859 -0.00119612 -0.00032514\n atom 18 type 1 force = 0.00026162 -0.00081678 -0.00145511\n atom 19 type 1 force = 0.00293787 -0.00046236 0.00089752\n atom 20 type 2 force = -0.00171640 0.00217230 0.00044809\n atom 21 type 2 force = 0.00075551 -0.00056005 -0.00134538\n atom 22 type 3 force = 0.00071213 -0.00066163 0.00006610\n atom 23 type 1 force = 0.00086387 -0.00012617 0.00060806\n atom 24 type 1 force = -0.00049113 -0.00092920 0.00073670\n atom 25 type 1 force = -0.00016411 -0.00022082 -0.00104097\n atom 26 type 1 force = -0.00025653 0.00011811 -0.00091442\n atom 27 type 1 force = 0.00006206 0.00061719 0.00024416\n atom 28 type 1 force = 0.00066511 0.00075923 0.00031015\n atom 29 type 3 force = -0.00033484 -0.00025639 0.00046176\n atom 30 type 1 force = -0.00085346 0.00019633 -0.00007658\n atom 31 type 1 force = -0.00132524 0.00517472 -0.00260261\n atom 32 type 2 force = 0.00387199 -0.00779767 0.00167516\n atom 33 type 2 force = -0.00204284 0.00377012 0.00410409\n atom 34 type 1 force = -0.00024627 -0.00002829 -0.00147297\n atom 35 type 1 force = 0.00227703 0.00101116 0.00050998\n atom 36 type 2 force = -0.00039968 -0.00082736 -0.00071477\n atom 37 type 2 force = -0.00083830 -0.00009374 -0.00065499\n atom 38 type 1 force = 0.00005246 0.00107980 -0.00055071\n atom 39 type 1 force = 0.00027069 -0.00077337 0.00101122\n atom 40 type 1 force = -0.00000864 -0.00014070 0.00141103\n atom 41 type 2 force = -0.00132807 -0.00006692 -0.00017388\n atom 42 type 2 force = 0.00057752 0.00000618 -0.00076071\n atom 43 type 1 force = -0.00009276 0.00055904 -0.00084823\n atom 44 type 1 force = -0.00097174 0.00051240 0.00034596\n atom 45 type 2 force = -0.00085143 -0.00003806 0.00019977\n atom 46 type 2 force = 0.00017611 -0.00014451 -0.00035760\n atom 47 type 1 force = -0.00166405 0.00068096 -0.00059322\n atom 48 type 1 force = 0.00004861 0.00080352 0.00039979\n atom 49 type 2 force = 0.00009102 0.00021050 0.00096783\n atom 50 type 2 force = 0.00105037 0.00007598 -0.00047064\n\n Total force = 0.016886 Total SCF correction = 0.000034\n Energy error = 2.2E-04 Ry\n Gradient error = 7.8E-03 Ry/Bohr\n\n number of scf cycles = 95\n number of bfgs steps = 94\n\n energy old = -1655.7783991645 Ry\n energy new = -1655.7786165031 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0727983570 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8008617975 9.5875318885 9.3747657010\nN 10.5768394937 9.7267386393 8.1577953336\nO 9.5911504463 9.0968777056 8.5065232970\nO 10.6958901563 10.6620724833 7.3997610139\nN 13.1803119560 8.3290335268 9.3143986518\nN 12.4002704209 6.9482455956 10.6206364163\nO 12.2492282181 7.3776381675 11.7396721122\nO 12.2199936761 5.8880902177 10.0880430245\nN 14.4753049724 7.9628402485 9.7360400910\nN 15.3473953358 8.3390787481 6.9440666071\nO 14.9167508729 9.4242607214 6.5970131474\nO 15.8369805713 7.4156275694 6.3280892478\nN 15.1624004628 8.8240001385 10.3677818593\nN 16.4844749891 8.5810224701 10.3100851031\nN 16.8454206417 6.7220859397 9.8409804740\nO 17.5318211275 6.6289724492 8.8600638973\nO 16.3609717537 5.9371067355 10.6114544786\nN 17.2712380382 9.2629722220 11.1200322547\nN 17.5120459978 8.5338278482 12.8698487343\nO 17.7476534020 7.3476054685 12.8603314774\nO 17.3321104310 9.3343283847 13.7505628682\nC 18.4813983028 9.6148844901 10.4989687831\nN 19.5480073966 8.7091206981 9.8196790051\nN 19.5418626068 9.6912977279 8.5798326987\nN 20.6244796336 10.5388499192 9.2899407706\nN 19.5513068072 11.4331816689 9.9520529398\nN 19.5389747417 10.4503823250 11.1899571618\nN 20.6221330137 9.6010398178 10.4858925270\nC 18.4813411762 10.5343566974 9.2725288153\nN 17.2675862558 10.9263509133 8.6740716267\nN 17.2253338352 11.4205073720 6.9932986875\nO 16.4637876756 12.3442877709 6.8283445546\nO 17.8721438950 10.7270808963 6.2484511895\nN 16.4430696123 11.5530758242 9.4909821894\nN 16.7409401298 13.3894997850 10.0121653246\nO 16.1856648005 14.1909223435 9.3089922557\nO 17.4765078912 13.4662114320 10.9580226857\nN 15.1389695328 11.2250601050 9.4706198953\nN 14.4285409332 12.0186233743 10.1634345690\nN 15.2672413034 11.6062180919 12.9060556954\nO 16.0742251279 12.3393731736 13.4326564941\nO 14.5173121508 10.7491151940 13.3210552877\nN 13.1359561809 11.6234933457 10.5419159327\nN 12.4668506945 13.2011804573 9.1832045611\nO 12.5311209833 12.8984705241 8.0170120307\nO 12.2054122329 14.2082743394 9.7860266213\nN 12.7608974414 10.3799438661 10.4144251607\nN 10.5858638944 10.4308444063 11.4956694128\nO 9.5905899940 10.6754124354 10.8272786220\nO 10.6960600391 10.1286620963 12.6603204447\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 6720.4 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 30.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 6733.7 secs\n\n total energy = -1655.77752296 Ry\n estimated scf accuracy < 0.01240557 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.63E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 6737.9 secs\n\n total energy = -1655.77533675 Ry\n estimated scf accuracy < 0.46742879 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.63E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6742.1 secs\n\n total energy = -1655.77852058 Ry\n estimated scf accuracy < 0.00116687 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.35E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 6746.4 secs\n\n total energy = -1655.77857911 Ry\n estimated scf accuracy < 0.00141709 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.35E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6750.6 secs\n\n total energy = -1655.77863495 Ry\n estimated scf accuracy < 0.00013708 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.12E-08, avg # of iterations = 12.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 6756.3 secs\n\n total energy = -1655.77884179 Ry\n estimated scf accuracy < 0.00015215 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.12E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 6760.6 secs\n\n total energy = -1655.77883794 Ry\n estimated scf accuracy < 0.00006213 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.32E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 6765.0 secs\n\n total energy = -1655.77884519 Ry\n estimated scf accuracy < 0.00004050 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.827E-02 0.000E+00\n\n total cpu time spent up to now is 6769.4 secs\n\n total energy = -1655.77884670 Ry\n estimated scf accuracy < 0.00000989 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.69E-09, avg # of iterations = 13.0\n\n negative rho (up, down): 2.826E-02 0.000E+00\n\n total cpu time spent up to now is 6775.0 secs\n\n total energy = -1655.77886136 Ry\n estimated scf accuracy < 0.00000829 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.828E-02 0.000E+00\n\n total cpu time spent up to now is 6779.3 secs\n\n total energy = -1655.77886209 Ry\n estimated scf accuracy < 0.00000389 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 6783.9 secs\n\n total energy = -1655.77886394 Ry\n estimated scf accuracy < 0.00000674 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 6788.6 secs\n\n total energy = -1655.77886489 Ry\n estimated scf accuracy < 0.00001034 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.834E-02 0.000E+00\n\n total cpu time spent up to now is 6793.0 secs\n\n total energy = -1655.77886524 Ry\n estimated scf accuracy < 0.00001105 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.832E-02 0.000E+00\n\n total cpu time spent up to now is 6797.3 secs\n\n total energy = -1655.77886487 Ry\n estimated scf accuracy < 0.00001162 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.825E-02 0.000E+00\n\n total cpu time spent up to now is 6801.5 secs\n\n total energy = -1655.77886294 Ry\n estimated scf accuracy < 0.00001083 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.823E-02 0.000E+00\n\n total cpu time spent up to now is 6805.9 secs\n\n total energy = -1655.77886260 Ry\n estimated scf accuracy < 0.00000593 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 6810.2 secs\n\n total energy = -1655.77886191 Ry\n estimated scf accuracy < 0.00000376 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.40E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.821E-02 0.000E+00\n\n total cpu time spent up to now is 6814.7 secs\n\n total energy = -1655.77886243 Ry\n estimated scf accuracy < 0.00000091 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.41E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.822E-02 0.000E+00\n\n total cpu time spent up to now is 6819.6 secs\n\n total energy = -1655.77886292 Ry\n estimated scf accuracy < 0.00000054 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.00E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 6823.9 secs\n\n total energy = -1655.77886286 Ry\n estimated scf accuracy < 0.00000039 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.45E-10, avg # of iterations = 7.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 6828.7 secs\n\n total energy = -1655.77886301 Ry\n estimated scf accuracy < 0.00000022 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.14E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 6833.1 secs\n\n total energy = -1655.77886304 Ry\n estimated scf accuracy < 0.00000014 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.17E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 6837.5 secs\n\n total energy = -1655.77886306 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.61E-11, avg # of iterations = 15.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 6843.1 secs\n\n total energy = -1655.77886312 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.79E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 6847.5 secs\n\n total energy = -1655.77886313 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.31E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 6852.5 secs\n\n total energy = -1655.77886314 Ry\n estimated scf accuracy < 7.9E-09 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.95E-12, avg # of iterations = 3.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 6856.9 secs\n\n total energy = -1655.77886317 Ry\n estimated scf accuracy < 5.8E-09 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.16E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 6861.7 secs\n\n total energy = -1655.77886318 Ry\n estimated scf accuracy < 3.1E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.16E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 6866.5 secs\n\n total energy = -1655.77886319 Ry\n estimated scf accuracy < 1.7E-09 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.31E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 6871.3 secs\n\n total energy = -1655.77886320 Ry\n estimated scf accuracy < 9.7E-10 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.64E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 6875.9 secs\n\n total energy = -1655.77886320 Ry\n estimated scf accuracy < 7.1E-10 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.66E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 6880.3 secs\n\n total energy = -1655.77886321 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.66E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 6884.6 secs\n\n total energy = -1655.77886321 Ry\n estimated scf accuracy < 6.4E-10 Ry\n\n iteration # 35 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.39E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 6889.0 secs\n\n total energy = -1655.77886322 Ry\n estimated scf accuracy < 2.3E-10 Ry\n\n iteration # 36 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 8.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 6893.1 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8538 -32.8096 -32.7865 -32.7324 -32.6616 -32.5351 -32.2147 -32.0441\n -32.0310 -32.0072 -30.6823 -29.7021 -29.3042 -28.9954 -28.9530 -28.9046\n -28.8847 -28.8588 -28.7847 -28.6635 -28.4867 -28.2618 -28.1786 -28.1191\n -27.5110 -26.8867 -25.6084 -24.7969 -24.3909 -24.0413 -22.8579 -22.0277\n -20.7355 -19.2374 -18.7080 -18.2404 -18.0676 -17.4623 -17.4035 -17.3216\n -17.1320 -16.9450 -16.6218 -16.5864 -16.5414 -16.5112 -16.4384 -16.4064\n -15.7930 -15.7384 -15.5262 -15.3351 -15.1931 -15.1024 -15.0141 -14.8763\n -14.7777 -14.7540 -14.6346 -14.6040 -14.5626 -14.4872 -14.4480 -14.3644\n -14.2934 -14.2827 -14.2404 -14.2380 -14.1907 -14.1625 -14.0718 -14.0233\n -13.9926 -13.8966 -13.8707 -13.8540 -13.8165 -13.7989 -13.7515 -13.7130\n -13.6516 -13.5756 -13.2455 -13.0548 -12.7311 -12.4183 -12.1572 -12.0953\n -11.8062 -11.5152 -11.4378 -11.3490 -10.9545 -10.7853 -10.4888 -10.0679\n -9.9281 -9.8156 -9.7498 -9.6903 -9.6259 -9.6183 -9.5743 -9.5590\n -9.5392 -9.4189 -9.3658 -9.3250 -9.3218 -9.2208 -9.1607 -9.0995\n -9.0352 -8.9801 -8.9400 -8.9104 -8.8272 -8.7523 -8.6852 -8.5989\n -8.5243 -8.2849 -8.1608 -8.1103 -7.7719 -7.6189 -7.3642 -7.2287\n -6.9939 -6.8537 -6.4090 -6.3577 -6.2855 -6.1004 -6.0816 -5.8705\n -5.5825 -4.9255 -4.7538 -4.7195 -4.4233 -4.1718 -4.1206 -4.0411\n -4.0000 -3.9198 -3.8201 -3.7035 -3.6908 -3.6508 -3.6253 -3.5313\n -3.4238 -3.1918 -3.0454 -2.8469 -2.4250 -2.2728 -0.7808 -0.4023\n -0.1624\n\n the Fermi energy is -6.0910 ev\n\n! total energy = -1655.77886324 Ry\n total all-electron energy = -6224.611211 Ry\n estimated scf accuracy < 1.2E-10 Ry\n smearing contrib. (-TS) = -0.00553529 Ry\n internal energy E=F+TS = -1655.77332795 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18411.79309906 Ry\n hartree contribution = 9238.80343219 Ry\n xc contribution = -312.77817027 Ry\n ewald contribution = 8257.96649782 Ry\n DFT-D3 Dispersion = -0.16560470 Ry\n one-center paw contrib. = -427.80638394 Ry\n\n convergence has been achieved in 36 iterations\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00194346 -0.00007877 0.00117068\n atom 2 type 1 force = 0.00006429 0.00025028 -0.00087555\n atom 3 type 2 force = 0.00003057 -0.00095863 -0.00041972\n atom 4 type 2 force = -0.00127611 -0.00042888 0.00119390\n atom 5 type 1 force = 0.00149609 0.00083186 -0.00114917\n atom 6 type 1 force = -0.00213692 0.00021119 -0.00127656\n atom 7 type 2 force = 0.00125827 -0.00003003 -0.00020930\n atom 8 type 2 force = 0.00003796 -0.00016622 0.00109813\n atom 9 type 1 force = -0.00039476 0.00028774 -0.00129038\n atom 10 type 1 force = 0.00069852 -0.00168611 -0.00097719\n atom 11 type 2 force = 0.00039215 -0.00117715 0.00037799\n atom 12 type 2 force = -0.00172172 0.00151569 0.00051194\n atom 13 type 1 force = -0.00180891 0.00028712 0.00091243\n atom 14 type 1 force = -0.00165916 0.00064791 0.00060928\n atom 15 type 1 force = 0.00388212 -0.00306681 -0.00148374\n atom 16 type 2 force = -0.00232110 -0.00032224 0.00136412\n atom 17 type 2 force = -0.00044532 0.00029741 -0.00048895\n atom 18 type 1 force = 0.00037863 -0.00067065 -0.00120445\n atom 19 type 1 force = 0.00319354 -0.00137518 0.00041036\n atom 20 type 2 force = -0.00163916 0.00153205 0.00012166\n atom 21 type 2 force = 0.00044323 0.00080886 -0.00085719\n atom 22 type 3 force = 0.00020944 -0.00086935 0.00013032\n atom 23 type 1 force = 0.00148358 0.00069126 0.00038311\n atom 24 type 1 force = 0.00021055 -0.00117548 0.00182166\n atom 25 type 1 force = 0.00004651 0.00004006 -0.00109595\n atom 26 type 1 force = -0.00046992 -0.00033312 -0.00105873\n atom 27 type 1 force = 0.00027593 0.00009547 0.00013178\n atom 28 type 1 force = 0.00123399 0.00084114 0.00031083\n atom 29 type 3 force = -0.00049172 -0.00084597 0.00012981\n atom 30 type 1 force = -0.00013625 -0.00071391 -0.00076095\n atom 31 type 1 force = -0.00044842 0.00559751 -0.00043309\n atom 32 type 2 force = 0.00231740 -0.00588653 0.00061910\n atom 33 type 2 force = -0.00155771 0.00234350 0.00308881\n atom 34 type 1 force = -0.00056486 0.00054194 -0.00113035\n atom 35 type 1 force = 0.00158622 0.00114171 0.00025079\n atom 36 type 2 force = -0.00010623 -0.00070915 -0.00080843\n atom 37 type 2 force = -0.00045389 -0.00004484 -0.00028049\n atom 38 type 1 force = -0.00031198 0.00092169 -0.00078331\n atom 39 type 1 force = -0.00009235 -0.00022914 0.00055615\n atom 40 type 1 force = 0.00024359 0.00003967 0.00165532\n atom 41 type 2 force = -0.00155391 -0.00018229 -0.00045444\n atom 42 type 2 force = 0.00055953 -0.00000332 -0.00081376\n atom 43 type 1 force = 0.00000980 0.00045261 0.00006619\n atom 44 type 1 force = -0.00082283 0.00018537 -0.00056546\n atom 45 type 2 force = -0.00067300 -0.00007631 0.00042215\n atom 46 type 2 force = 0.00037070 -0.00050648 0.00020832\n atom 47 type 1 force = -0.00267549 0.00059164 -0.00030518\n atom 48 type 1 force = 0.00041877 0.00117319 0.00043375\n atom 49 type 2 force = -0.00008688 0.00026780 0.00115926\n atom 50 type 2 force = 0.00106377 -0.00005811 -0.00041549\n\n Total force = 0.015343 Total SCF correction = 0.000027\n Energy error = 2.5E-04 Ry\n Gradient error = 5.9E-03 Ry/Bohr\n\n number of scf cycles = 96\n number of bfgs steps = 95\n\n energy old = -1655.7786165031 Ry\n energy new = -1655.7788632412 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0906607635 bohr\n new conv_thr = 0.0000000002 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8064687559 9.5782871308 9.3807820408\nN 10.5770038014 9.7157487122 8.1616716238\nO 9.5901160883 9.0880628438 8.5110486079\nO 10.6969931208 10.6496488878 7.4018136398\nN 13.1839709819 8.3193286229 9.3224034763\nN 12.3995476670 6.9435840207 10.6303485575\nO 12.2462308294 7.3679258627 11.7511129484\nO 12.2218928756 5.8864290017 10.0913543817\nN 14.4798854209 7.9559400391 9.7427070792\nN 15.3518965190 8.3263764044 6.9534980025\nO 14.9350706176 9.4184369095 6.6104501303\nO 15.8293982860 7.4028610760 6.3277150984\nN 15.1658207354 8.8221955562 10.3687125228\nN 16.4888397495 8.5848340140 10.3084766028\nN 16.8599820440 6.7230797904 9.8320242845\nO 17.5393683573 6.6398042374 8.8461978304\nO 16.3840544627 5.9313034645 10.5986123488\nN 17.2737838205 9.2729688087 11.1147979537\nN 17.5180434595 8.5520782340 12.8711643766\nO 17.7330991716 7.3623920732 12.8671960912\nO 17.3544048163 9.3597550579 13.7480770585\nC 18.4824458754 9.6257999894 10.4926169059\nN 19.5476049548 8.7181213932 9.8156077291\nN 19.5396656354 9.6962805665 8.5723085703\nN 20.6238481451 10.5458146869 9.2782073309\nN 19.5509566833 11.4430487030 9.9385487686\nN 19.5394036197 10.4645528012 11.1803794227\nN 20.6224582612 9.6126180255 10.4778978512\nC 18.4805603919 10.5418360684 9.2642339562\nN 17.2655305080 10.9322474831 8.6682333345\nN 17.2077633576 11.4228957618 6.9909732594\nO 16.4203218674 12.3239990306 6.8274787114\nO 17.8767197773 10.7500711721 6.2477929550\nN 16.4403345845 11.5539101793 9.4888700625\nN 16.7355965899 13.3879664952 10.0111200533\nO 16.1780847337 14.1882597172 9.3077522115\nO 17.4684677110 13.4654357404 10.9590916695\nN 15.1380385067 11.2219912122 9.4725033317\nN 14.4273749267 12.0137034687 10.1672395481\nN 15.2678156791 11.6056360211 12.9082174711\nO 16.0684590061 12.3423181573 13.4388897602\nO 14.5272149087 10.7375223784 13.3167104569\nN 13.1355628038 11.6175148145 10.5441861822\nN 12.4628921661 13.2034760125 9.1903631528\nO 12.5179910885 12.8995950621 8.0239514351\nO 12.2084621785 14.2122036579 9.7935310475\nN 12.7623949762 10.3726984466 10.4172100521\nN 10.5853961552 10.4205670679 11.4967364056\nO 9.5897144394 10.6589135020 10.8266505737\nO 10.6957419317 10.1256398961 12.6633348681\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 6903.2 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 34.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 6917.1 secs\n\n total energy = -1655.77534184 Ry\n estimated scf accuracy < 0.03594753 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.34E-05, avg # of iterations = 1.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 6921.2 secs\n\n total energy = -1655.77392655 Ry\n estimated scf accuracy < 0.75117348 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.34E-05, avg # of iterations = 1.0\n\n negative rho (up, down): 2.807E-02 0.000E+00\n\n total cpu time spent up to now is 6925.4 secs\n\n total energy = -1655.77842743 Ry\n estimated scf accuracy < 0.00698246 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.61E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 6929.6 secs\n\n total energy = -1655.77811519 Ry\n estimated scf accuracy < 0.06001146 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.61E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 6933.8 secs\n\n total energy = -1655.77894050 Ry\n estimated scf accuracy < 0.00919445 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.61E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 6938.0 secs\n\n total energy = -1655.77875124 Ry\n estimated scf accuracy < 0.01072154 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.61E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 6942.5 secs\n\n total energy = -1655.77889189 Ry\n estimated scf accuracy < 0.00544039 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.03E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.784E-02 0.000E+00\n\n total cpu time spent up to now is 6946.8 secs\n\n total energy = -1655.77896617 Ry\n estimated scf accuracy < 0.00058788 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 6951.1 secs\n\n total energy = -1655.77898840 Ry\n estimated scf accuracy < 0.00000404 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 37.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 6963.3 secs\n\n total energy = -1655.77913817 Ry\n estimated scf accuracy < 0.00010580 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.789E-02 0.000E+00\n\n total cpu time spent up to now is 6967.7 secs\n\n total energy = -1655.77913190 Ry\n estimated scf accuracy < 0.00015195 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 1.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 6971.9 secs\n\n total energy = -1655.77911847 Ry\n estimated scf accuracy < 0.00006146 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 6.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 6976.7 secs\n\n total energy = -1655.77912123 Ry\n estimated scf accuracy < 0.00001488 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 6981.1 secs\n\n total energy = -1655.77911959 Ry\n estimated scf accuracy < 0.00001334 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 6985.4 secs\n\n total energy = -1655.77911914 Ry\n estimated scf accuracy < 0.00000699 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 6989.8 secs\n\n total energy = -1655.77911817 Ry\n estimated scf accuracy < 0.00000453 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.51E-09, avg # of iterations = 7.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 6994.3 secs\n\n total energy = -1655.77911861 Ry\n estimated scf accuracy < 0.00000094 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.50E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 6999.6 secs\n\n total energy = -1655.77911947 Ry\n estimated scf accuracy < 0.00000020 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.40E-11, avg # of iterations = 12.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 7005.3 secs\n\n total energy = -1655.77911971 Ry\n estimated scf accuracy < 0.00000053 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.40E-11, avg # of iterations = 3.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 7009.8 secs\n\n total energy = -1655.77911971 Ry\n estimated scf accuracy < 0.00000047 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.40E-11, avg # of iterations = 1.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 7014.0 secs\n\n total energy = -1655.77911967 Ry\n estimated scf accuracy < 0.00000034 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.40E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7018.4 secs\n\n total energy = -1655.77911966 Ry\n estimated scf accuracy < 0.00000018 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.60E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 7023.1 secs\n\n total energy = -1655.77911970 Ry\n estimated scf accuracy < 0.00000013 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.68E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 7027.6 secs\n\n total energy = -1655.77911970 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.22E-11, avg # of iterations = 6.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 7032.0 secs\n\n total energy = -1655.77911970 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.50E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 7036.9 secs\n\n total energy = -1655.77911971 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.19E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.812E-02 0.000E+00\n\n total cpu time spent up to now is 7041.4 secs\n\n total energy = -1655.77911971 Ry\n estimated scf accuracy < 7.9E-09 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.95E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7046.1 secs\n\n total energy = -1655.77911972 Ry\n estimated scf accuracy < 3.8E-09 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.43E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7051.2 secs\n\n total energy = -1655.77911972 Ry\n estimated scf accuracy < 3.0E-09 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.11E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7055.7 secs\n\n total energy = -1655.77911973 Ry\n estimated scf accuracy < 1.5E-09 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.57E-13, avg # of iterations = 9.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7060.5 secs\n\n total energy = -1655.77911972 Ry\n estimated scf accuracy < 1.6E-09 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.57E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7064.9 secs\n\n total energy = -1655.77911973 Ry\n estimated scf accuracy < 5.3E-10 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.96E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 7069.9 secs\n\n total energy = -1655.77911973 Ry\n estimated scf accuracy < 4.9E-10 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.83E-13, avg # of iterations = 4.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 7073.6 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8616 -32.8241 -32.8091 -32.7386 -32.6664 -32.5319 -32.2264 -32.0381\n -32.0114 -32.0009 -30.6792 -29.7091 -29.3088 -28.9980 -28.9725 -28.9266\n -28.8934 -28.8624 -28.7807 -28.6694 -28.5000 -28.2253 -28.1698 -28.1138\n -27.5144 -26.8906 -25.6085 -24.7950 -24.3891 -24.0480 -22.8639 -22.0298\n -20.7409 -19.2378 -18.7100 -18.2481 -18.0837 -17.4584 -17.4058 -17.3063\n -17.1341 -16.9438 -16.6239 -16.5921 -16.5381 -16.4966 -16.4334 -16.4071\n -15.8006 -15.7393 -15.5283 -15.3385 -15.1927 -15.1054 -15.0132 -14.8785\n -14.7813 -14.7660 -14.6451 -14.6083 -14.5624 -14.4919 -14.4515 -14.3601\n -14.2966 -14.2843 -14.2447 -14.2426 -14.1971 -14.1604 -14.0698 -14.0324\n -14.0008 -13.8742 -13.8593 -13.8443 -13.8132 -13.7914 -13.7539 -13.7085\n -13.6459 -13.5570 -13.2532 -13.0563 -12.7327 -12.4226 -12.1610 -12.1032\n -11.8067 -11.5181 -11.4379 -11.3487 -10.9554 -10.7856 -10.4898 -10.0684\n -9.9291 -9.8175 -9.7496 -9.6916 -9.6318 -9.6211 -9.5783 -9.5586\n -9.5445 -9.4273 -9.3671 -9.3197 -9.3043 -9.2232 -9.1622 -9.1024\n -9.0334 -8.9773 -8.9399 -8.9185 -8.8371 -8.7254 -8.6851 -8.5947\n -8.5187 -8.2885 -8.1637 -8.1105 -7.7741 -7.6190 -7.3653 -7.2274\n -6.9872 -6.8509 -6.4108 -6.3566 -6.2839 -6.1032 -6.0836 -5.8705\n -5.5837 -4.9316 -4.7575 -4.7258 -4.4125 -4.1627 -4.1214 -4.0381\n -3.9929 -3.9232 -3.8194 -3.7083 -3.6898 -3.6373 -3.6242 -3.5255\n -3.4247 -3.1855 -3.0429 -2.8494 -2.4294 -2.2663 -0.7851 -0.4024\n -0.1644\n\n the Fermi energy is -6.0934 ev\n\n! total energy = -1655.77911974 Ry\n total all-electron energy = -6224.611468 Ry\n estimated scf accuracy < 1.5E-10 Ry\n smearing contrib. (-TS) = -0.00552684 Ry\n internal energy E=F+TS = -1655.77359290 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18413.69579691 Ry\n hartree contribution = 9239.75230353 Ry\n xc contribution = -312.78697849 Ry\n ewald contribution = 8258.92885356 Ry\n DFT-D3 Dispersion = -0.16569827 Ry\n one-center paw contrib. = -427.80627633 Ry\n\n convergence has been achieved in 34 iterations\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00126291 0.00074736 -0.00003269\n atom 2 type 1 force = -0.00015686 0.00037832 -0.00110457\n atom 3 type 2 force = 0.00024353 -0.00128550 -0.00050117\n atom 4 type 2 force = -0.00168742 -0.00034888 0.00124541\n atom 5 type 1 force = 0.00123696 0.00112152 -0.00041523\n atom 6 type 1 force = -0.00153178 0.00044675 -0.00171761\n atom 7 type 2 force = 0.00141031 -0.00009945 -0.00089799\n atom 8 type 2 force = -0.00041691 -0.00079558 0.00175054\n atom 9 type 1 force = -0.00012652 -0.00007848 -0.00122401\n atom 10 type 1 force = 0.00097106 -0.00178729 -0.00282470\n atom 11 type 2 force = -0.00032352 -0.00012268 0.00129642\n atom 12 type 2 force = -0.00140291 0.00040909 0.00132388\n atom 13 type 1 force = -0.00071950 -0.00009835 0.00115461\n atom 14 type 1 force = -0.00154137 0.00033443 0.00121246\n atom 15 type 1 force = 0.00357430 -0.00077002 -0.00262833\n atom 16 type 2 force = -0.00072939 -0.00016136 -0.00046394\n atom 17 type 2 force = -0.00196269 -0.00150414 0.00245504\n atom 18 type 1 force = -0.00022816 -0.00080089 -0.00065933\n atom 19 type 1 force = 0.00252777 -0.00124833 -0.00038066\n atom 20 type 2 force = -0.00129049 0.00023175 -0.00005716\n atom 21 type 2 force = 0.00051432 0.00176869 -0.00027605\n atom 22 type 3 force = -0.00020531 -0.00089856 0.00015839\n atom 23 type 1 force = 0.00168801 0.00101798 0.00042931\n atom 24 type 1 force = 0.00107949 -0.00136398 0.00188861\n atom 25 type 1 force = 0.00015183 0.00033429 -0.00074600\n atom 26 type 1 force = -0.00040895 -0.00059209 -0.00091897\n atom 27 type 1 force = 0.00031748 -0.00020069 -0.00018409\n atom 28 type 1 force = 0.00109026 0.00080195 0.00025000\n atom 29 type 3 force = -0.00014002 -0.00106896 -0.00055944\n atom 30 type 1 force = -0.00132362 -0.00026875 -0.00073745\n atom 31 type 1 force = 0.00038988 0.00553291 0.00146848\n atom 32 type 2 force = 0.00166358 -0.00491204 0.00011953\n atom 33 type 2 force = -0.00113094 0.00155428 0.00163017\n atom 34 type 1 force = 0.00013220 0.00026051 -0.00112746\n atom 35 type 1 force = 0.00052296 0.00118548 -0.00000416\n atom 36 type 2 force = 0.00081798 -0.00091341 -0.00019043\n atom 37 type 2 force = -0.00049105 0.00023638 -0.00071876\n atom 38 type 1 force = -0.00034273 0.00104365 -0.00102883\n atom 39 type 1 force = -0.00087843 -0.00002826 0.00018968\n atom 40 type 1 force = 0.00014191 0.00004383 0.00108627\n atom 41 type 2 force = -0.00136927 0.00003424 -0.00017768\n atom 42 type 2 force = 0.00044333 -0.00015608 -0.00054113\n atom 43 type 1 force = -0.00026150 -0.00024045 0.00106034\n atom 44 type 1 force = -0.00084053 -0.00004779 -0.00115294\n atom 45 type 2 force = -0.00049694 -0.00011341 0.00042977\n atom 46 type 2 force = 0.00049263 -0.00077927 0.00061396\n atom 47 type 1 force = -0.00258432 0.00152775 0.00010160\n atom 48 type 1 force = 0.00052938 0.00126297 0.00046414\n atom 49 type 2 force = 0.00023676 0.00047040 0.00142688\n atom 50 type 2 force = 0.00115231 -0.00005984 -0.00048472\n\n Total force = 0.014684 Total SCF correction = 0.000027\n Energy error = 2.6E-04 Ry\n Gradient error = 5.5E-03 Ry/Bohr\n\n number of scf cycles = 97\n number of bfgs steps = 96\n\n energy old = -1655.7788632412 Ry\n energy new = -1655.7791197429 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0965298156 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8099183010 9.5691202944 9.3859933070\nN 10.5785849607 9.7038757264 8.1655706154\nO 9.5907957631 9.0784873435 8.5168114943\nO 10.6983158528 10.6370463654 7.4045491922\nN 13.1887776032 8.3107699774 9.3294363122\nN 12.3968488262 6.9404764682 10.6383648132\nO 12.2471872754 7.3584176343 11.7618698183\nO 12.2217534636 5.8851357305 10.0953803676\nN 14.4842303939 7.9505169758 9.7504033231\nN 15.3559945059 8.3123666639 6.9641788098\nO 14.9543594579 9.4123292495 6.6265968329\nO 15.8187750759 7.3887458342 6.3288043917\nN 15.1686816298 8.8214361447 10.3720357610\nN 16.4921332524 8.5886784619 10.3091771736\nN 16.8764608280 6.7238654907 9.8235892679\nO 17.5467455036 6.6542328363 8.8306125401\nO 16.4096580801 5.9215849496 10.5861960595\nN 17.2771069250 9.2827200639 11.1089513158\nN 17.5263441336 8.5725736535 12.8708565933\nO 17.7148740927 7.3783578909 12.8736418796\nO 17.3799328211 9.3889271792 13.7429356787\nC 18.4842595977 9.6367492256 10.4856442738\nN 19.5493129364 8.7280617670 9.8119553559\nN 19.5387868096 9.7001579009 8.5650971383\nN 20.6241222690 10.5533207979 9.2649173597\nN 19.5511553316 11.4533926298 9.9227208089\nN 19.5406847383 10.4804919021 11.1696722350\nN 20.6241653457 9.6259503559 10.4698403043\nC 18.4801549908 10.5487631595 9.2548295558\nN 17.2624376873 10.9375526939 8.6618165896\nN 17.1901258908 11.4254611298 6.9906902467\nO 16.3751147915 12.3002347384 6.8284199562\nO 17.8820321767 10.7766262765 6.2484558387\nN 16.4370781621 11.5536457976 9.4862684045\nN 16.7299014488 13.3858516680 10.0091793604\nO 16.1706517563 14.1848899209 9.3055253407\nO 17.4595099200 13.4631963374 10.9593140174\nN 15.1360867254 11.2182528482 9.4728907969\nN 14.4249505201 12.0062746901 10.1715847912\nN 15.2674224899 11.6041412377 12.9098082457\nO 16.0598947842 12.3460666630 13.4447435281\nO 14.5378256744 10.7232770179 13.3111676964\nN 13.1336141948 11.6108061959 10.5463300665\nN 12.4574429721 13.2053557564 9.1993920679\nO 12.5042531431 12.8992415868 8.0333101659\nO 12.2112955071 14.2164745862 9.8019827592\nN 12.7586487917 10.3668286436 10.4188506462\nN 10.5864809406 10.4110306330 11.4978736774\nO 9.5899279269 10.6414864019 10.8268366109\nO 10.6978767746 10.1224307630 12.6657283478\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.777E-02 0.000E+00\n\n total cpu time spent up to now is 7084.1 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 36.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 7098.5 secs\n\n total energy = -1655.77582251 Ry\n estimated scf accuracy < 0.03017391 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.13E-05, avg # of iterations = 1.0\n\n negative rho (up, down): 2.820E-02 0.000E+00\n\n total cpu time spent up to now is 7102.6 secs\n\n total energy = -1655.77396975 Ry\n estimated scf accuracy < 0.76871059 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.13E-05, avg # of iterations = 1.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 7106.9 secs\n\n total energy = -1655.77873334 Ry\n estimated scf accuracy < 0.00652498 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.43E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 7111.1 secs\n\n total energy = -1655.77863709 Ry\n estimated scf accuracy < 0.04741384 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.43E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 7115.3 secs\n\n total energy = -1655.77915496 Ry\n estimated scf accuracy < 0.00182693 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.82E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 7119.7 secs\n\n total energy = -1655.77913188 Ry\n estimated scf accuracy < 0.00323696 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.82E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 7124.0 secs\n\n total energy = -1655.77921157 Ry\n estimated scf accuracy < 0.00286328 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.82E-07, avg # of iterations = 1.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 7128.2 secs\n\n total energy = -1655.77924933 Ry\n estimated scf accuracy < 0.00003822 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.43E-08, avg # of iterations = 21.0\n\n negative rho (up, down): 2.795E-02 0.000E+00\n\n total cpu time spent up to now is 7136.0 secs\n\n total energy = -1655.77944085 Ry\n estimated scf accuracy < 0.00007823 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.43E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 7140.3 secs\n\n total energy = -1655.77942715 Ry\n estimated scf accuracy < 0.00010023 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.43E-08, avg # of iterations = 1.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 7144.7 secs\n\n total energy = -1655.77941172 Ry\n estimated scf accuracy < 0.00012155 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.43E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 7149.1 secs\n\n total energy = -1655.77941105 Ry\n estimated scf accuracy < 0.00001436 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.36E-09, avg # of iterations = 6.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 7153.6 secs\n\n total energy = -1655.77941269 Ry\n estimated scf accuracy < 0.00000314 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.17E-09, avg # of iterations = 8.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 7159.0 secs\n\n total energy = -1655.77941614 Ry\n estimated scf accuracy < 0.00000098 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.67E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 7164.3 secs\n\n total energy = -1655.77941706 Ry\n estimated scf accuracy < 0.00000083 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 7168.7 secs\n\n total energy = -1655.77941723 Ry\n estimated scf accuracy < 0.00000123 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 7173.1 secs\n\n total energy = -1655.77941714 Ry\n estimated scf accuracy < 0.00000152 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 7177.9 secs\n\n total energy = -1655.77941758 Ry\n estimated scf accuracy < 0.00000258 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 7182.3 secs\n\n total energy = -1655.77941740 Ry\n estimated scf accuracy < 0.00000256 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 7186.6 secs\n\n total energy = -1655.77941736 Ry\n estimated scf accuracy < 0.00000198 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.819E-02 0.000E+00\n\n total cpu time spent up to now is 7191.0 secs\n\n total energy = -1655.77941714 Ry\n estimated scf accuracy < 0.00000189 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.818E-02 0.000E+00\n\n total cpu time spent up to now is 7195.3 secs\n\n total energy = -1655.77941689 Ry\n estimated scf accuracy < 0.00000129 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.09E-10, avg # of iterations = 8.0\n\n negative rho (up, down): 2.817E-02 0.000E+00\n\n total cpu time spent up to now is 7199.8 secs\n\n total energy = -1655.77941702 Ry\n estimated scf accuracy < 0.00000032 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.20E-10, avg # of iterations = 9.0\n\n negative rho (up, down): 2.815E-02 0.000E+00\n\n total cpu time spent up to now is 7204.3 secs\n\n total energy = -1655.77941708 Ry\n estimated scf accuracy < 0.00000027 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.92E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.816E-02 0.000E+00\n\n total cpu time spent up to now is 7208.7 secs\n\n total energy = -1655.77941710 Ry\n estimated scf accuracy < 0.00000044 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.92E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.814E-02 0.000E+00\n\n total cpu time spent up to now is 7213.1 secs\n\n total energy = -1655.77941712 Ry\n estimated scf accuracy < 0.00000020 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.29E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 7217.4 secs\n\n total energy = -1655.77941715 Ry\n estimated scf accuracy < 0.00000003 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-11, avg # of iterations = 13.0\n\n negative rho (up, down): 2.813E-02 0.000E+00\n\n total cpu time spent up to now is 7223.2 secs\n\n total energy = -1655.77941719 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 29 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.02E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7227.5 secs\n\n total energy = -1655.77941720 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 30 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.42E-12, avg # of iterations = 7.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7232.3 secs\n\n total energy = -1655.77941721 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 31 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.42E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7236.6 secs\n\n total energy = -1655.77941721 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 32 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.99E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7240.9 secs\n\n total energy = -1655.77941721 Ry\n estimated scf accuracy < 6.2E-09 Ry\n\n iteration # 33 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.32E-12, avg # of iterations = 10.0\n\n negative rho (up, down): 2.811E-02 0.000E+00\n\n total cpu time spent up to now is 7245.6 secs\n\n total energy = -1655.77941722 Ry\n estimated scf accuracy < 2.8E-09 Ry\n\n iteration # 34 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.06E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 7250.5 secs\n\n total energy = -1655.77941722 Ry\n estimated scf accuracy < 1.2E-09 Ry\n\n iteration # 35 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.39E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 7255.3 secs\n\n total energy = -1655.77941723 Ry\n estimated scf accuracy < 5.4E-10 Ry\n\n iteration # 36 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.02E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.810E-02 0.000E+00\n\n total cpu time spent up to now is 7260.1 secs\n\n total energy = -1655.77941723 Ry\n estimated scf accuracy < 1.4E-09 Ry\n\n iteration # 37 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.02E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 7264.4 secs\n\n total energy = -1655.77941723 Ry\n estimated scf accuracy < 2.7E-10 Ry\n\n iteration # 38 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-13, avg # of iterations = 10.0\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n total cpu time spent up to now is 7268.3 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8845 -32.8411 -32.7963 -32.7314 -32.6706 -32.5312 -32.2343 -32.0402\n -32.0023 -31.9965 -30.6777 -29.7163 -29.3148 -29.0103 -28.9666 -28.9496\n -28.8961 -28.8576 -28.7795 -28.6768 -28.5114 -28.2002 -28.1634 -28.1130\n -27.5237 -26.8967 -25.6135 -24.7958 -24.3898 -24.0553 -22.8727 -22.0362\n -20.7478 -19.2469 -18.7110 -18.2636 -18.1081 -17.4597 -17.4068 -17.2904\n -17.1362 -16.9430 -16.6280 -16.5983 -16.5381 -16.4842 -16.4299 -16.4087\n -15.8089 -15.7424 -15.5295 -15.3399 -15.1962 -15.1076 -15.0124 -14.8816\n -14.7870 -14.7808 -14.6466 -14.6128 -14.5606 -14.4940 -14.4498 -14.3582\n -14.3030 -14.2826 -14.2444 -14.2421 -14.2013 -14.1593 -14.0726 -14.0408\n -14.0069 -13.8664 -13.8517 -13.8364 -13.8141 -13.7834 -13.7581 -13.7034\n -13.6430 -13.5453 -13.2587 -13.0569 -12.7335 -12.4237 -12.1650 -12.1113\n -11.8058 -11.5227 -11.4406 -11.3519 -10.9565 -10.7880 -10.4904 -10.0747\n -9.9292 -9.8187 -9.7475 -9.6915 -9.6326 -9.6251 -9.5807 -9.5587\n -9.5471 -9.4352 -9.3688 -9.3187 -9.2883 -9.2259 -9.1623 -9.1006\n -9.0325 -8.9736 -8.9384 -8.9252 -8.8480 -8.7065 -8.6833 -8.5908\n -8.5139 -8.2910 -8.1659 -8.1100 -7.7748 -7.6226 -7.3671 -7.2277\n -6.9853 -6.8495 -6.4147 -6.3550 -6.2806 -6.1047 -6.0841 -5.8660\n -5.5839 -4.9399 -4.7695 -4.7327 -4.3980 -4.1564 -4.1217 -4.0357\n -3.9884 -3.9206 -3.8164 -3.7141 -3.6888 -3.6305 -3.6161 -3.5194\n -3.4227 -3.1742 -3.0406 -2.8511 -2.4342 -2.2554 -0.7840 -0.4019\n -0.1653\n\n the Fermi energy is -6.0944 ev\n\n! total energy = -1655.77941726 Ry\n total all-electron energy = -6224.611765 Ry\n estimated scf accuracy < 1.6E-10 Ry\n smearing contrib. (-TS) = -0.00551562 Ry\n internal energy E=F+TS = -1655.77390164 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18417.33023021 Ry\n hartree contribution = 9241.56126745 Ry\n xc contribution = -312.79611589 Ry\n ewald contribution = 8260.76280200 Ry\n DFT-D3 Dispersion = -0.16584534 Ry\n one-center paw contrib. = -427.80577965 Ry\n\n convergence has been achieved in 38 iterations\n\n negative rho (up, down): 2.808E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = 0.00078306 0.00161649 -0.00119148\n atom 2 type 1 force = -0.00055756 0.00053074 -0.00126317\n atom 3 type 2 force = 0.00010615 -0.00162155 -0.00066728\n atom 4 type 2 force = -0.00170719 -0.00032015 0.00128029\n atom 5 type 1 force = 0.00030052 0.00155641 0.00056338\n atom 6 type 1 force = -0.00029192 -0.00014123 -0.00225967\n atom 7 type 2 force = 0.00124894 0.00065533 -0.00080979\n atom 8 type 2 force = -0.00100674 -0.00150963 0.00172501\n atom 9 type 1 force = 0.00010264 -0.00058370 -0.00108920\n atom 10 type 1 force = 0.00031845 -0.00001457 -0.00354718\n atom 11 type 2 force = -0.00078614 0.00035165 0.00219178\n atom 12 type 2 force = -0.00043317 -0.00203256 0.00101641\n atom 13 type 1 force = 0.00026962 -0.00059506 0.00109209\n atom 14 type 1 force = -0.00079208 -0.00043146 0.00141043\n atom 15 type 1 force = 0.00116906 -0.00155865 -0.00163789\n atom 16 type 2 force = -0.00026603 -0.00058229 -0.00019472\n atom 17 type 2 force = -0.00054475 0.00071258 0.00096966\n atom 18 type 1 force = -0.00015902 -0.00034982 0.00064932\n atom 19 type 1 force = 0.00111280 -0.00158172 -0.00051557\n atom 20 type 2 force = -0.00094522 0.00043327 0.00004666\n atom 21 type 2 force = 0.00112066 0.00166279 -0.00036892\n atom 22 type 3 force = -0.00052994 -0.00037021 -0.00005269\n atom 23 type 1 force = 0.00147303 0.00085188 0.00071674\n atom 24 type 1 force = 0.00173218 -0.00132198 0.00123232\n atom 25 type 1 force = 0.00042933 0.00047129 -0.00010811\n atom 26 type 1 force = -0.00041091 -0.00086088 -0.00060889\n atom 27 type 1 force = 0.00021789 -0.00052865 -0.00058345\n atom 28 type 1 force = 0.00091550 0.00076095 -0.00003730\n atom 29 type 3 force = -0.00007929 -0.00120477 -0.00115652\n atom 30 type 1 force = -0.00083150 -0.00059832 -0.00107242\n atom 31 type 1 force = 0.00126954 0.00481152 0.00352186\n atom 32 type 2 force = -0.00009431 -0.00252994 -0.00042823\n atom 33 type 2 force = 0.00021260 0.00013980 -0.00013967\n atom 34 type 1 force = -0.00030187 0.00053422 -0.00044884\n atom 35 type 1 force = -0.00077237 0.00043075 -0.00050607\n atom 36 type 2 force = 0.00138793 -0.00065415 0.00006149\n atom 37 type 2 force = 0.00007578 0.00076483 -0.00039187\n atom 38 type 1 force = -0.00077479 0.00075578 -0.00085588\n atom 39 type 1 force = -0.00070858 0.00082316 -0.00053991\n atom 40 type 1 force = -0.00030027 -0.00025724 0.00040051\n atom 41 type 2 force = -0.00130436 0.00009457 0.00021870\n atom 42 type 2 force = 0.00076675 0.00016749 -0.00028556\n atom 43 type 1 force = -0.00044646 -0.00026873 0.00227977\n atom 44 type 1 force = -0.00050885 -0.00034404 -0.00137138\n atom 45 type 2 force = -0.00044484 -0.00012565 -0.00002835\n atom 46 type 2 force = 0.00049313 -0.00090055 0.00103540\n atom 47 type 1 force = -0.00230115 0.00121526 0.00019461\n atom 48 type 1 force = 0.00054589 0.00112765 0.00019743\n atom 49 type 2 force = 0.00024449 0.00096955 0.00121829\n atom 50 type 2 force = 0.00100336 -0.00015048 0.00013787\n\n Total force = 0.013235 Total SCF correction = 0.000031\n Energy error = 3.0E-04 Ry\n Gradient error = 4.8E-03 Ry/Bohr\n\n number of scf cycles = 98\n number of bfgs steps = 97\n\n energy old = -1655.7791197429 Ry\n energy new = -1655.7794172589 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.1109158515 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8163052438 9.5609776240 9.3916720177\nN 10.5798209361 9.6900979412 8.1696615431\nO 9.5913581200 9.0667951880 8.5237905955\nO 10.6985347741 10.6231284014 7.4085303416\nN 13.1958349310 8.3033580175 9.3369085152\nN 12.3951918213 6.9362803323 10.6454547021\nO 12.2507714565 7.3497665497 11.7715811150\nO 12.2231544392 5.8803878019 10.1025511343\nN 14.4903391881 7.9446245734 9.7574710317\nN 15.3616228357 8.2973752827 6.9755843648\nO 14.9753806816 9.4057547841 6.6467949019\nO 15.8058144273 7.3711993820 6.3311627882\nN 15.1723213987 8.8197191209 10.3777139058\nN 16.4960242328 8.5941895619 10.3102834619\nN 16.8965973750 6.7238558188 9.8126549904\nO 17.5551475419 6.6689948960 8.8113971742\nO 16.4387299202 5.9133735625 10.5713171146\nN 17.2805137562 9.2958050561 11.1035308542\nN 17.5360453171 8.5962996979 12.8705277499\nO 17.6948283475 7.3978959580 12.8809854521\nO 17.4098008970 9.4232506260 13.7365975010\nC 18.4856786715 9.6500221901 10.4779008646\nN 19.5514443963 8.7398400944 9.8087609266\nN 19.5384157069 9.7032200995 8.5575461043\nN 20.6244642900 10.5618384498 9.2493467005\nN 19.5509154425 11.4647356375 9.9035355424\nN 19.5420238858 10.4990919333 11.1567597373\nN 20.6262049743 9.6417771129 10.4606992738\nC 18.4794555559 10.5558920715 9.2430710450\nN 17.2584748569 10.9436990835 8.6535237457\nN 17.1692889709 11.4291457275 6.9923397270\nO 16.3228572893 12.2735127646 6.8287228754\nO 17.8874750000 10.8068964514 6.2505294359\nN 16.4324923783 11.5529823924 9.4838209419\nN 16.7219825071 13.3833593107 10.0071106988\nO 16.1638519276 14.1819692793 9.3017782475\nO 17.4479104400 13.4604113339 10.9600121397\nN 15.1326308085 11.2125953311 9.4732601747\nN 14.4208469558 11.9970136223 10.1752521920\nN 15.2669651987 11.6017905026 12.9106001743\nO 16.0493883969 12.3506131041 13.4499388639\nO 14.5505192599 10.7068683737 13.3046088605\nN 13.1302476860 11.6029873918 10.5511616204\nN 12.4516358124 13.2055329614 9.2098806031\nO 12.4890230252 12.8971888297 8.0441689154\nO 12.2153744277 14.2186295714 9.8132604979\nN 12.7504470515 10.3606343312 10.4220131943\nN 10.5877149885 10.4014501810 11.4995410348\nO 9.5900845326 10.6207988293 10.8271601622\nO 10.7007409654 10.1180511208 12.6683261779\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.766E-02 0.000E+00\n\n total cpu time spent up to now is 7278.4 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 36.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 7293.3 secs\n\n total energy = -1655.77876751 Ry\n estimated scf accuracy < 0.01332422 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.97E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.809E-02 0.000E+00\n\n total cpu time spent up to now is 7297.4 secs\n\n total energy = -1655.77654787 Ry\n estimated scf accuracy < 0.39360064 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.97E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.792E-02 0.000E+00\n\n total cpu time spent up to now is 7301.6 secs\n\n total energy = -1655.77921082 Ry\n estimated scf accuracy < 0.00553973 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.07E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 7305.7 secs\n\n total energy = -1655.77923509 Ry\n estimated scf accuracy < 0.00285353 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.06E-06, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 7309.9 secs\n\n total energy = -1655.77940912 Ry\n estimated scf accuracy < 0.00039579 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.48E-07, avg # of iterations = 11.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 7314.9 secs\n\n total energy = -1655.77962078 Ry\n estimated scf accuracy < 0.00021456 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.01E-08, avg # of iterations = 8.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 7319.5 secs\n\n total energy = -1655.77966329 Ry\n estimated scf accuracy < 0.00005161 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.93E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 7324.5 secs\n\n total energy = -1655.77970004 Ry\n estimated scf accuracy < 0.00002800 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.04E-08, avg # of iterations = 7.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7329.3 secs\n\n total energy = -1655.77971001 Ry\n estimated scf accuracy < 0.00000504 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.88E-09, avg # of iterations = 10.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7334.7 secs\n\n total energy = -1655.77971445 Ry\n estimated scf accuracy < 0.00000209 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.81E-10, avg # of iterations = 13.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7339.8 secs\n\n total energy = -1655.77971559 Ry\n estimated scf accuracy < 0.00000096 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.59E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7344.7 secs\n\n total energy = -1655.77971606 Ry\n estimated scf accuracy < 0.00000043 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.59E-10, avg # of iterations = 11.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7349.7 secs\n\n total energy = -1655.77971628 Ry\n estimated scf accuracy < 0.00000079 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.59E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7354.0 secs\n\n total energy = -1655.77971630 Ry\n estimated scf accuracy < 0.00000061 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.59E-10, avg # of iterations = 1.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 7358.3 secs\n\n total energy = -1655.77971631 Ry\n estimated scf accuracy < 0.00000017 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.21E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 7362.7 secs\n\n total energy = -1655.77971633 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.07E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7368.0 secs\n\n total energy = -1655.77971638 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.40E-11, avg # of iterations = 2.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7372.4 secs\n\n total energy = -1655.77971638 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.31E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7376.9 secs\n\n total energy = -1655.77971637 Ry\n estimated scf accuracy < 8.2E-09 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.05E-12, avg # of iterations = 14.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 7382.3 secs\n\n total energy = -1655.77971638 Ry\n estimated scf accuracy < 9.4E-09 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.05E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 7386.7 secs\n\n total energy = -1655.77971637 Ry\n estimated scf accuracy < 3.0E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.12E-12, avg # of iterations = 12.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 7391.4 secs\n\n total energy = -1655.77971637 Ry\n estimated scf accuracy < 1.3E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.96E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 7396.4 secs\n\n total energy = -1655.77971637 Ry\n estimated scf accuracy < 5.0E-10 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.86E-13, avg # of iterations = 15.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 7402.0 secs\n\n total energy = -1655.77971637 Ry\n estimated scf accuracy < 6.2E-10 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.86E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.804E-02 0.000E+00\n\n total cpu time spent up to now is 7406.4 secs\n\n total energy = -1655.77971637 Ry\n estimated scf accuracy < 4.2E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.57E-13, avg # of iterations = 2.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 7410.7 secs\n\n total energy = -1655.77971637 Ry\n estimated scf accuracy < 5.4E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.57E-13, avg # of iterations = 1.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 7414.2 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.8797 -32.8401 -32.8072 -32.7209 -32.6641 -32.5288 -32.2402 -32.0533\n -31.9972 -31.9866 -30.6791 -29.7180 -29.3136 -29.0164 -28.9876 -28.9378\n -28.8848 -28.8525 -28.7802 -28.6774 -28.5203 -28.1919 -28.1661 -28.1092\n -27.5255 -26.8970 -25.6144 -24.7985 -24.3899 -24.0601 -22.8784 -22.0420\n -20.7513 -19.2537 -18.7084 -18.2831 -18.1366 -17.4621 -17.4048 -17.2704\n -17.1334 -16.9401 -16.6309 -16.6013 -16.5413 -16.4813 -16.4285 -16.4054\n -15.8136 -15.7448 -15.5315 -15.3383 -15.2000 -15.1086 -15.0099 -14.8832\n -14.7884 -14.7797 -14.6517 -14.6156 -14.5590 -14.4876 -14.4477 -14.3560\n -14.3070 -14.2867 -14.2500 -14.2380 -14.1931 -14.1589 -14.0791 -14.0462\n -14.0107 -13.8737 -13.8462 -13.8336 -13.8205 -13.7733 -13.7615 -13.6957\n -13.6407 -13.5407 -13.2651 -13.0568 -12.7313 -12.4218 -12.1683 -12.1169\n -11.8018 -11.5259 -11.4430 -11.3542 -10.9559 -10.7887 -10.4818 -10.0801\n -9.9257 -9.8166 -9.7452 -9.6901 -9.6282 -9.6259 -9.5727 -9.5623\n -9.5518 -9.4411 -9.3701 -9.3205 -9.2835 -9.2273 -9.1669 -9.0940\n -9.0324 -8.9704 -8.9421 -8.9289 -8.8541 -8.7009 -8.6812 -8.5898\n -8.5103 -8.2892 -8.1692 -8.1121 -7.7738 -7.6271 -7.3696 -7.2272\n -6.9821 -6.8492 -6.4223 -6.3494 -6.2727 -6.1026 -6.0809 -5.8601\n -5.5854 -4.9476 -4.7930 -4.7373 -4.3843 -4.1525 -4.1237 -4.0335\n -3.9841 -3.9167 -3.8132 -3.7161 -3.6888 -3.6281 -3.6111 -3.5122\n -3.4219 -3.1572 -3.0380 -2.8496 -2.4380 -2.2424 -0.7756 -0.4014\n -0.1654\n\n the Fermi energy is -6.0918 ev\n\n! total energy = -1655.77971636 Ry\n total all-electron energy = -6224.612064 Ry\n estimated scf accuracy < 7.5E-11 Ry\n smearing contrib. (-TS) = -0.00550309 Ry\n internal energy E=F+TS = -1655.77421327 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18422.31795678 Ry\n hartree contribution = 9244.05310303 Ry\n xc contribution = -312.79779081 Ry\n ewald contribution = 8263.25980105 Ry\n DFT-D3 Dispersion = -0.16606072 Ry\n one-center paw contrib. = -427.80530904 Ry\n\n convergence has been achieved in 27 iterations\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00013720 0.00209834 -0.00172896\n atom 2 type 1 force = -0.00077419 -0.00005194 -0.00070467\n atom 3 type 2 force = 0.00030108 -0.00176945 -0.00109960\n atom 4 type 2 force = -0.00131264 0.00030496 0.00072795\n atom 5 type 1 force = -0.00077897 0.00122643 0.00093520\n atom 6 type 1 force = 0.00081461 -0.00072690 -0.00163321\n atom 7 type 2 force = 0.00108195 0.00126819 -0.00135349\n atom 8 type 2 force = -0.00141965 -0.00159001 0.00128012\n atom 9 type 1 force = 0.00032584 -0.00046781 -0.00054079\n atom 10 type 1 force = 0.00002657 0.00060966 -0.00340906\n atom 11 type 2 force = -0.00086938 0.00003631 0.00220483\n atom 12 type 2 force = -0.00027248 -0.00262660 0.00070015\n atom 13 type 1 force = 0.00140285 -0.00129570 0.00061066\n atom 14 type 1 force = 0.00057206 -0.00119247 0.00178389\n atom 15 type 1 force = -0.00108522 0.00066416 -0.00164553\n atom 16 type 2 force = 0.00069787 -0.00127160 -0.00038137\n atom 17 type 2 force = 0.00000354 0.00040586 0.00122803\n atom 18 type 1 force = -0.00040802 -0.00053300 0.00147091\n atom 19 type 1 force = -0.00049427 -0.00050039 -0.00012127\n atom 20 type 2 force = -0.00063449 0.00063051 0.00039703\n atom 21 type 2 force = 0.00193821 0.00022675 -0.00117224\n atom 22 type 3 force = -0.00045277 0.00004275 -0.00024703\n atom 23 type 1 force = 0.00088672 0.00017128 0.00105614\n atom 24 type 1 force = 0.00177957 -0.00110472 -0.00011900\n atom 25 type 1 force = 0.00031117 0.00046806 0.00060755\n atom 26 type 1 force = -0.00026823 -0.00080362 -0.00028796\n atom 27 type 1 force = 0.00004810 -0.00032636 -0.00085699\n atom 28 type 1 force = 0.00027824 0.00060604 -0.00009277\n atom 29 type 3 force = 0.00007621 -0.00088593 -0.00158658\n atom 30 type 1 force = -0.00152103 -0.00007242 -0.00073243\n atom 31 type 1 force = 0.00274126 0.00374667 0.00227430\n atom 32 type 2 force = 0.00091813 -0.00301358 -0.00014951\n atom 33 type 2 force = -0.00117612 0.00148296 0.00066835\n atom 34 type 1 force = -0.00024491 0.00003526 -0.00041381\n atom 35 type 1 force = -0.00144735 0.00000463 -0.00069016\n atom 36 type 2 force = 0.00177752 -0.00068819 0.00031591\n atom 37 type 2 force = 0.00021026 0.00109580 -0.00045008\n atom 38 type 1 force = -0.00106042 0.00067658 -0.00052892\n atom 39 type 1 force = -0.00064504 0.00152952 -0.00084819\n atom 40 type 1 force = -0.00066652 -0.00038470 -0.00049911\n atom 41 type 2 force = -0.00114270 0.00023570 0.00072558\n atom 42 type 2 force = 0.00089949 0.00022930 0.00012751\n atom 43 type 1 force = -0.00068830 -0.00030333 0.00294156\n atom 44 type 1 force = -0.00014536 -0.00061525 -0.00105397\n atom 45 type 2 force = -0.00047954 0.00013099 -0.00035383\n atom 46 type 2 force = 0.00045847 -0.00106727 0.00087925\n atom 47 type 1 force = -0.00100606 0.00117637 0.00010316\n atom 48 type 1 force = 0.00026409 0.00045350 0.00025725\n atom 49 type 2 force = 0.00057369 0.00170510 0.00106883\n atom 50 type 2 force = 0.00074338 0.00002953 0.00033636\n\n Total force = 0.013389 Total SCF correction = 0.000022\n Energy error = 3.0E-04 Ry\n Gradient error = 3.7E-03 Ry/Bohr\n\n number of scf cycles = 99\n number of bfgs steps = 98\n\n energy old = -1655.7794172589 Ry\n energy new = -1655.7797163648 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0552216542 bohr\n new conv_thr = 0.0000000003 Ry\n\n\nATOMIC_POSITIONS (angstrom)\nN 12.8235487766 9.5629154869 9.3911716047\nN 10.5808452007 9.6825950892 8.1733413109\nO 9.5925126793 9.0588890542 8.5287466243\nO 10.6966116295 10.6203863867 7.4183499458\nN 13.2025741927 8.3061097548 9.3357465652\nN 12.3909878980 6.9383491651 10.6446213085\nO 12.2608872902 7.3477506796 11.7744844604\nO 12.2206870773 5.8796996435 10.1060722498\nN 14.4943705956 7.9442634215 9.7572166127\nN 15.3627558198 8.2880428217 6.9782038207\nO 14.9833430525 9.3997758754 6.6582908784\nO 15.7953037679 7.3605405485 6.3303448718\nN 15.1744163304 8.8183068723 10.3829411234\nN 16.4974080850 8.5959215090 10.3141951443\nN 16.9083231349 6.7165625588 9.8069855399\nO 17.5580160996 6.6691638562 8.8012471492\nO 16.4524307897 5.9029004960 10.5632448186\nN 17.2818143628 9.3030371830 11.1017009668\nN 17.5463225725 8.6087076348 12.8689795128\nO 17.6841478984 7.4095176892 12.8832159685\nO 17.4329057201 9.4403087041 13.7312015028\nC 18.4858285211 9.6570877943 10.4743581809\nN 19.5540233156 8.7453892427 9.8122652361\nN 19.5393777200 9.6978995980 8.5556096073\nN 20.6250370176 10.5635538914 9.2393634631\nN 19.5502602787 11.4689696242 9.8878750198\nN 19.5423270329 10.5122589394 11.1482447746\nN 20.6279878473 9.6519915451 10.4579457727\nC 18.4789116521 10.5558775298 9.2348932483\nN 17.2552024842 10.9453285270 8.6482859300\nN 17.1641699170 11.4320002182 7.0029893056\nO 16.3090536831 12.2582715809 6.8364090938\nO 17.8890977795 10.8271596057 6.2601376298\nN 16.4299364042 11.5516844851 9.4838169622\nN 16.7201396684 13.3815079473 10.0036990972\nO 16.1638388319 14.1793111144 9.2965089303\nO 17.4434958309 13.4588396903 10.9582713708\nN 15.1293135403 11.2100453635 9.4718670164\nN 14.4173014764 11.9914711226 10.1767615817\nN 15.2656909390 11.5989556019 12.9118586793\nO 16.0379479272 12.3553080246 13.4543551988\nO 14.5567633913 10.6977288456 13.3015119089\nN 13.1257476621 11.6018813021 10.5533287527\nN 12.4425418060 13.2047400248 9.2148145603\nO 12.4731439683 12.8921231491 8.0505266541\nO 12.2122614369 14.2195257153 9.8171060010\nN 12.7382946352 10.3619785972 10.4210378192\nN 10.5892103542 10.4019278701 11.5001342402\nO 9.5901959076 10.6126950727 10.8290762244\nO 10.7053790412 10.1164218052 12.6674474943\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 7424.3 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-06, avg # of iterations = 27.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 7436.4 secs\n\n total energy = -1655.77863251 Ry\n estimated scf accuracy < 0.00854362 Ry\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.19E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.806E-02 0.000E+00\n\n total cpu time spent up to now is 7440.5 secs\n\n total energy = -1655.77705146 Ry\n estimated scf accuracy < 0.33285247 Ry\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.19E-06, avg # of iterations = 1.0\n\n negative rho (up, down): 2.790E-02 0.000E+00\n\n total cpu time spent up to now is 7444.6 secs\n\n total energy = -1655.77942336 Ry\n estimated scf accuracy < 0.00156942 Ry\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.86E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 7448.9 secs\n\n total energy = -1655.77944742 Ry\n estimated scf accuracy < 0.00115364 Ry\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.30E-07, avg # of iterations = 2.0\n\n negative rho (up, down): 2.775E-02 0.000E+00\n\n total cpu time spent up to now is 7453.1 secs\n\n total energy = -1655.77953993 Ry\n estimated scf accuracy < 0.00047909 Ry\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.79E-07, avg # of iterations = 9.0\n\n negative rho (up, down): 2.774E-02 0.000E+00\n\n total cpu time spent up to now is 7457.9 secs\n\n total energy = -1655.77975191 Ry\n estimated scf accuracy < 0.00013335 Ry\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.98E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.777E-02 0.000E+00\n\n total cpu time spent up to now is 7462.7 secs\n\n total energy = -1655.77981477 Ry\n estimated scf accuracy < 0.00004557 Ry\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.70E-08, avg # of iterations = 9.0\n\n negative rho (up, down): 2.779E-02 0.000E+00\n\n total cpu time spent up to now is 7467.5 secs\n\n total energy = -1655.77982975 Ry\n estimated scf accuracy < 0.00003828 Ry\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.43E-08, avg # of iterations = 2.0\n\n negative rho (up, down): 2.781E-02 0.000E+00\n\n total cpu time spent up to now is 7471.9 secs\n\n total energy = -1655.77983232 Ry\n estimated scf accuracy < 0.00000642 Ry\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.40E-09, avg # of iterations = 16.0\n\n negative rho (up, down): 2.781E-02 0.000E+00\n\n total cpu time spent up to now is 7477.9 secs\n\n total energy = -1655.77984146 Ry\n estimated scf accuracy < 0.00000612 Ry\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.28E-09, avg # of iterations = 2.0\n\n negative rho (up, down): 2.781E-02 0.000E+00\n\n total cpu time spent up to now is 7482.2 secs\n\n total energy = -1655.77984172 Ry\n estimated scf accuracy < 0.00000150 Ry\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.60E-10, avg # of iterations = 15.0\n\n negative rho (up, down): 2.782E-02 0.000E+00\n\n total cpu time spent up to now is 7487.5 secs\n\n total energy = -1655.77984292 Ry\n estimated scf accuracy < 0.00000086 Ry\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.20E-10, avg # of iterations = 10.0\n\n negative rho (up, down): 2.783E-02 0.000E+00\n\n total cpu time spent up to now is 7492.1 secs\n\n total energy = -1655.77984300 Ry\n estimated scf accuracy < 0.00000033 Ry\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.22E-10, avg # of iterations = 12.0\n\n negative rho (up, down): 2.785E-02 0.000E+00\n\n total cpu time spent up to now is 7497.3 secs\n\n total energy = -1655.77984321 Ry\n estimated scf accuracy < 0.00000039 Ry\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.22E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 2.786E-02 0.000E+00\n\n total cpu time spent up to now is 7501.6 secs\n\n total energy = -1655.77984320 Ry\n estimated scf accuracy < 0.00000011 Ry\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.27E-11, avg # of iterations = 7.0\n\n negative rho (up, down): 2.788E-02 0.000E+00\n\n total cpu time spent up to now is 7506.5 secs\n\n total energy = -1655.77984322 Ry\n estimated scf accuracy < 0.00000008 Ry\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.17E-11, avg # of iterations = 8.0\n\n negative rho (up, down): 2.791E-02 0.000E+00\n\n total cpu time spent up to now is 7511.0 secs\n\n total energy = -1655.77984317 Ry\n estimated scf accuracy < 0.00000005 Ry\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.03E-11, avg # of iterations = 10.0\n\n negative rho (up, down): 2.793E-02 0.000E+00\n\n total cpu time spent up to now is 7515.7 secs\n\n total energy = -1655.77984316 Ry\n estimated scf accuracy < 0.00000004 Ry\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.42E-11, avg # of iterations = 9.0\n\n negative rho (up, down): 2.796E-02 0.000E+00\n\n total cpu time spent up to now is 7520.2 secs\n\n total energy = -1655.77984312 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n iteration # 20 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 7.11E-12, avg # of iterations = 13.0\n\n negative rho (up, down): 2.797E-02 0.000E+00\n\n total cpu time spent up to now is 7525.4 secs\n\n total energy = -1655.77984311 Ry\n estimated scf accuracy < 0.00000001 Ry\n\n iteration # 21 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.17E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.799E-02 0.000E+00\n\n total cpu time spent up to now is 7529.7 secs\n\n total energy = -1655.77984309 Ry\n estimated scf accuracy < 4.3E-09 Ry\n\n iteration # 22 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.61E-12, avg # of iterations = 9.0\n\n negative rho (up, down): 2.800E-02 0.000E+00\n\n total cpu time spent up to now is 7534.7 secs\n\n total energy = -1655.77984308 Ry\n estimated scf accuracy < 3.4E-09 Ry\n\n iteration # 23 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.27E-12, avg # of iterations = 8.0\n\n negative rho (up, down): 2.801E-02 0.000E+00\n\n total cpu time spent up to now is 7539.2 secs\n\n total energy = -1655.77984308 Ry\n estimated scf accuracy < 7.3E-09 Ry\n\n iteration # 24 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.27E-12, avg # of iterations = 2.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 7543.6 secs\n\n total energy = -1655.77984306 Ry\n estimated scf accuracy < 1.0E-09 Ry\n\n iteration # 25 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.90E-13, avg # of iterations = 11.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 7548.6 secs\n\n total energy = -1655.77984306 Ry\n estimated scf accuracy < 8.9E-10 Ry\n\n iteration # 26 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 3.31E-13, avg # of iterations = 3.0\n\n negative rho (up, down): 2.802E-02 0.000E+00\n\n total cpu time spent up to now is 7553.0 secs\n\n total energy = -1655.77984306 Ry\n estimated scf accuracy < 7.0E-10 Ry\n\n iteration # 27 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.59E-13, avg # of iterations = 7.0\n\n negative rho (up, down): 2.803E-02 0.000E+00\n\n total cpu time spent up to now is 7557.5 secs\n\n total energy = -1655.77984305 Ry\n estimated scf accuracy < 4.0E-10 Ry\n\n iteration # 28 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.49E-13, avg # of iterations = 13.0\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n total cpu time spent up to now is 7561.4 secs\n\n End of self-consistent calculation\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9987 -32.8629 -32.8289 -32.7496 -32.6438 -32.5331 -32.2542 -32.0866\n -32.0368 -31.9705 -30.6804 -29.7114 -29.3078 -29.0274 -29.0167 -29.0056\n -28.8764 -28.8560 -28.7870 -28.6748 -28.5321 -28.2340 -28.1888 -28.0952\n -27.5222 -26.8928 -25.6116 -24.7994 -24.3895 -24.0581 -22.8790 -22.0459\n -20.7517 -19.2594 -18.7024 -18.3171 -18.1672 -17.4625 -17.4008 -17.2482\n -17.1209 -16.9313 -16.6289 -16.5957 -16.5446 -16.4854 -16.4240 -16.3928\n -15.8127 -15.7488 -15.5320 -15.3489 -15.2028 -15.1169 -15.0223 -14.8873\n -14.8352 -14.7752 -14.6689 -14.6285 -14.5627 -14.4716 -14.4569 -14.3576\n -14.3108 -14.2968 -14.2587 -14.2225 -14.1937 -14.1588 -14.0887 -14.0468\n -14.0178 -13.8920 -13.8647 -13.8582 -13.8380 -13.7739 -13.7549 -13.6868\n -13.6395 -13.5623 -13.2678 -13.0590 -12.7317 -12.4191 -12.1728 -12.1178\n -11.7982 -11.5267 -11.4444 -11.3565 -10.9522 -10.7881 -10.4731 -10.0841\n -9.9181 -9.8120 -9.7442 -9.6911 -9.6291 -9.6122 -9.5754 -9.5676\n -9.5533 -9.4434 -9.3698 -9.3220 -9.2988 -9.2310 -9.1741 -9.0822\n -9.0289 -8.9662 -8.9472 -8.9280 -8.8541 -8.7151 -8.6819 -8.5914\n -8.5039 -8.2806 -8.1707 -8.1124 -7.7660 -7.6312 -7.3697 -7.2248\n -6.9781 -6.8498 -6.4290 -6.3400 -6.2595 -6.0921 -6.0700 -5.8493\n -5.5835 -4.9504 -4.8229 -4.7374 -4.3494 -4.1376 -4.1169 -4.0185\n -3.9520 -3.9007 -3.8040 -3.7044 -3.6845 -3.6221 -3.6067 -3.4993\n -3.4159 -3.1287 -3.0257 -2.8403 -2.4347 -2.2120 -0.7617 -0.3984\n -0.1614\n\n the Fermi energy is -6.0810 ev\n\n! total energy = -1655.77984302 Ry\n total all-electron energy = -6224.612191 Ry\n estimated scf accuracy < 2.7E-10 Ry\n smearing contrib. (-TS) = -0.00549731 Ry\n internal energy E=F+TS = -1655.77434572 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -18426.15964127 Ry\n hartree contribution = 9245.95655895 Ry\n xc contribution = -312.83721693 Ry\n ewald contribution = 8265.23655046 Ry\n DFT-D3 Dispersion = -0.16621667 Ry\n one-center paw contrib. = -427.80438026 Ry\n\n convergence has been achieved in 28 iterations\n\n negative rho (up, down): 2.805E-02 0.000E+00\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00120572 0.00198021 -0.00145144\n atom 2 type 1 force = -0.00065703 -0.00109950 0.00055949\n atom 3 type 2 force = 0.00005027 -0.00178784 -0.00143768\n atom 4 type 2 force = -0.00028619 0.00152012 -0.00060504\n atom 5 type 1 force = -0.00201560 0.00015572 0.00095602\n atom 6 type 1 force = 0.00229870 -0.00157785 -0.00022879\n atom 7 type 2 force = 0.00059971 0.00200204 -0.00194853\n atom 8 type 2 force = -0.00177215 -0.00110481 0.00025496\n atom 9 type 1 force = 0.00015394 -0.00043832 0.00004431\n atom 10 type 1 force = -0.00020557 -0.00005534 0.00039800\n atom 11 type 2 force = -0.00170456 0.00283720 0.00063248\n atom 12 type 2 force = 0.00079313 -0.00482057 -0.00153288\n atom 13 type 1 force = 0.00219654 -0.00151332 0.00001962\n atom 14 type 1 force = 0.00184591 -0.00222423 0.00107076\n atom 15 type 1 force = -0.00480893 0.00262789 0.00111041\n atom 16 type 2 force = 0.00304739 -0.00162499 -0.00289967\n atom 17 type 2 force = 0.00052773 0.00033169 0.00125593\n atom 18 type 1 force = 0.00049855 -0.00035072 0.00260400\n atom 19 type 1 force = -0.00255838 0.00209970 -0.00181874\n atom 20 type 2 force = 0.00039673 -0.00413946 0.00020919\n atom 21 type 2 force = 0.00227851 0.00236178 0.00099916\n atom 22 type 3 force = 0.00002324 0.00079697 -0.00041453\n atom 23 type 1 force = -0.00005754 -0.00093238 0.00114964\n atom 24 type 1 force = 0.00114924 -0.00053738 -0.00178588\n atom 25 type 1 force = -0.00000995 0.00024860 0.00108041\n atom 26 type 1 force = 0.00007173 -0.00049840 0.00014686\n atom 27 type 1 force = -0.00004914 0.00003309 -0.00081838\n atom 28 type 1 force = -0.00053601 0.00033142 -0.00020424\n atom 29 type 3 force = -0.00011572 -0.00077193 -0.00078432\n atom 30 type 1 force = -0.00007194 -0.00080150 -0.00028556\n atom 31 type 1 force = 0.00492326 -0.00076421 0.00831314\n atom 32 type 2 force = -0.01289784 0.01090047 -0.00039832\n atom 33 type 2 force = 0.00994836 -0.00754560 -0.00649580\n atom 34 type 1 force = -0.00094232 -0.00026970 -0.00005895\n atom 35 type 1 force = -0.00174134 -0.00085012 -0.00058273\n atom 36 type 2 force = 0.00139961 -0.00013170 -0.00011270\n atom 37 type 2 force = 0.00059031 0.00113567 -0.00006664\n atom 38 type 1 force = -0.00122230 0.00056779 0.00022774\n atom 39 type 1 force = -0.00028001 0.00251274 -0.00114066\n atom 40 type 1 force = 0.00018844 0.00112887 -0.00245873\n atom 41 type 2 force = -0.00021052 0.00110324 0.00145301\n atom 42 type 2 force = -0.00088135 -0.00213143 0.00130518\n atom 43 type 1 force = -0.00063351 -0.00006418 0.00309666\n atom 44 type 1 force = 0.00071470 -0.00149319 0.00000269\n atom 45 type 2 force = -0.00047761 0.00026171 -0.00151627\n atom 46 type 2 force = 0.00019951 -0.00027030 0.00100899\n atom 47 type 1 force = 0.00101224 0.00079834 -0.00026548\n atom 48 type 1 force = 0.00036372 -0.00086726 0.00011537\n atom 49 type 2 force = -0.00012537 0.00281182 -0.00035363\n atom 50 type 2 force = 0.00019515 0.00011913 0.00165155\n\n Total force = 0.029278 Total SCF correction = 0.000037\n Energy error = 1.3E-04 Ry\n Gradient error = 1.3E-02 Ry/Bohr\n\n number of scf cycles = 100\n number of bfgs steps = 99\n\n energy old = -1655.7797163648 Ry\n energy new = -1655.7798430244 Ry\n\n CASE: energy _new < energy _old\n\n new trust radius = 0.0607438196 bohr\n\n The maximum number of steps has been reached.\n\n End of BFGS Geometry Optimization\n\nATOMIC_POSITIONS (angstrom)\nN 12.8253513874 9.5590389534 9.3940037908\nN 10.5818761937 9.6755258917 8.1752178031\nO 9.5935341573 9.0525374245 8.5322992380\nO 10.6971128099 10.6128566511 7.4192525236\nN 13.2048000005 8.3018592613 9.3414721845\nN 12.3900204868 6.9360088531 10.6482566310\nO 12.2625485336 7.3431052891 11.7793670837\nO 12.2188442675 5.8777065910 10.1091254211\nN 14.4968718251 7.9410944463 9.7623339656\nN 15.3648699045 8.2798222743 6.9836551635\nO 14.9945837326 9.3971251551 6.6698068131\nO 15.7882457439 7.3503657365 6.3322713908\nN 15.1767360163 8.8172710634 10.3860871398\nN 16.4996686900 8.5980511906 10.3154030757\nN 16.9175150239 6.7188630133 9.8007793304\nO 17.5625873190 6.6785827422 8.7914749781\nO 16.4681254166 5.8999959789 10.5564782343\nN 17.2838846296 9.3090678726 11.0992900599\nN 17.5502376338 8.6211898036 12.8681299056\nO 17.6720793370 7.4193027068 12.8870217556\nO 17.4491951020 9.4591915010 13.7270660236\nC 18.4868356201 9.6637316450 10.4699492637\nN 19.5555240477 8.7511492493 9.8103099410\nN 19.5403782019 9.6996435702 8.5511635001\nN 20.6259000770 10.5679536092 9.2322025972\nN 19.5507699807 11.4743411953 9.8785366058\nN 19.5433916658 10.5210938196 11.1414744686\nN 20.6293172856 9.6594767741 10.4532907490\nC 18.4791213752 10.5595163562 9.2283522368\nN 17.2533029810 10.9486148452 8.6437902717\nN 17.1543749653 11.4344117945 7.0038979872\nO 16.2801658670 12.2441749811 6.8362289670\nO 17.8936583156 10.8437136446 6.2606226392\nN 16.4274043434 11.5507697475 9.4823924689\nN 16.7152213821 13.3792654522 10.0025211392\nO 16.1602187591 14.1772724248 9.2946174051\nO 17.4379351520 13.4568654726 10.9575599490\nN 15.1270420818 11.2066198366 9.4718713950\nN 14.4149800522 11.9867684352 10.1780608679\nN 15.2648141984 11.5979502929 12.9116978247\nO 16.0317089910 12.3574885972 13.4576163007\nO 14.5633428745 10.6883713574 13.2977762586\nN 13.1238808575 11.5976604085 10.5566599213\nN 12.4401610717 13.2049039411 9.2201639895\nO 12.4659096806 12.8923914700 8.0556779593\nO 12.2153543913 14.2202516231 9.8239415211\nN 12.7341316303 10.3589953981 10.4229392534\nN 10.5905145737 10.3966788019 11.5007748599\nO 9.5911323777 10.6026805896 10.8291494044\nO 10.7075120323 10.1143605259 12.6687694758\n\n\n\n Writing config-only to output data dir ./tmp/calc.save/ :\n XML data file\n NEW-OLD atomic charge density approx. for the potential\n\n Check: negative core charge= -0.000001\n\n negative rho (up, down): 2.794E-02 0.000E+00\n\n Writing all to output data dir ./tmp/calc.save/ :\n XML data file, charge density, pseudopotentials, collected wavefunctions\n \n init_run : 7.52s CPU 9.41s WALL ( 1 calls)\n electrons : 6884.12s CPU 7067.39s WALL ( 50 calls)\n update_pot : 111.67s CPU 111.75s WALL ( 50 calls)\n forces : 274.35s CPU 274.63s WALL ( 50 calls)\n force_dftd3 : 0.33s CPU 0.34s WALL ( 50 calls)\n\n Called by init_run:\n wfcinit : 0.48s CPU 0.70s WALL ( 1 calls)\n potinit : 1.79s CPU 2.19s WALL ( 1 calls)\n hinit0 : 3.48s CPU 3.99s WALL ( 1 calls)\n\n Called by electrons:\n c_bands : 1882.26s CPU 1884.73s WALL ( 1441 calls)\n sum_band : 647.99s CPU 649.24s WALL ( 1441 calls)\n v_of_rho : 224.49s CPU 225.34s WALL ( 1492 calls)\n newd : 735.81s CPU 736.51s WALL ( 1492 calls)\n PAW_pot : 1086.92s CPU 1087.17s WALL ( 1542 calls)\n mix_rho : 1000.78s CPU 1009.45s WALL ( 1441 calls)\n energy_dftd3 : 0.16s CPU 0.16s WALL ( 50 calls)\n\n Called by c_bands:\n init_us_2 : 24.63s CPU 24.72s WALL ( 2982 calls)\n regterg : 1809.06s CPU 1811.24s WALL ( 1484 calls)\n\n Called by *egterg:\n rdiaghg : 54.91s CPU 55.04s WALL ( 11594 calls)\n h_psi : 1353.72s CPU 1355.31s WALL ( 11678 calls)\n s_psi : 10.25s CPU 10.28s WALL ( 11678 calls)\n g_psi : 6.98s CPU 6.99s WALL ( 10194 calls)\n\n Called by h_psi:\n h_psi:calbec : 2.30s CPU 2.38s WALL ( 11678 calls)\n vloc_psi : 1209.82s CPU 1210.88s WALL ( 11678 calls)\n add_vuspsi : 71.24s CPU 71.63s WALL ( 11678 calls)\n\n General routines\n calbec : 2.35s CPU 2.43s WALL ( 13369 calls)\n fft : 757.14s CPU 757.13s WALL ( 16862 calls)\n ffts : 402.91s CPU 403.17s WALL ( 174026 calls)\n fftw : 1069.91s CPU 1070.47s WALL ( 183315 calls)\n interpolate : 1105.58s CPU 1268.39s WALL ( 1492 calls)\n davcio : 0.00s CPU 0.21s WALL ( 1 calls)\n \n \n PWSCF : 2h 3m CPU 2h 6m WALL\n\n \n This run was terminated on: 8:39:38 17Aug2026 \n\n=------------------------------------------------------------------------------=\n JOB DONE.\n=------------------------------------------------------------------------------=\n","output_type":"stream"}],"execution_count":17},{"cell_type":"markdown","source":"Runs D3hess.x to generate information for ph.x","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > run_qe.sh << 'EOF'\n#!/bin/bash\nexport CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\nexec /kaggle/working/q-e-qe-7.6/bin/d3hess.x -nb 4 -in d3hess.in > d3hess.out\nEOF\nchmod +x run_qe.sh\n\nmpirun --allow-run-as-root -np 2 \\\n --bind-to none \\\n ./run_qe.sh || true","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Runs phonon calculations once phonpy has made the supercells.","metadata":{}},{"cell_type":"code","source":"import glob\nimport os\nimport re\n\n# 1. Sort all supercell files numerically\nall_files = glob.glob('supercell-*.in')\nall_files.sort(key=lambda f: int(re.sub(r'\\D', '', f)))\n\n# 2. Filter list to stop at 90\ntarget_files = []\nfor f in all_files:\n match = re.search(r'-(\\d+)\\.', f)\n if match and int(match.group(1)) <= 90:\n target_files.append(f)\n\n# 3. Create the parallel worker script\n# Rank 0 processes indices 0, 2, 4... Rank 1 processes indices 1, 3, 5...\nwith open(\"run_parallel.sh\", \"w\") as f:\n f.write(\"#!/bin/bash\\n\")\n f.write(\"export CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\\n\")\n f.write(\"RANK=${OMPI_COMM_WORLD_LOCAL_RANK}\\n\")\n f.write(\"SIZE=${OMPI_COMM_WORLD_LOCAL_SIZE}\\n\")\n f.write(\"FILES=(\\\"$@\\\")\\n\\n\")\n \n f.write(\"for (( i=$RANK; i<${#FILES[@]}; i+=$SIZE )); do\\n\")\n f.write(\" IN_FILE=${FILES[$i]}\\n\")\n f.write(\" OUT_FILE=\\\"${IN_FILE%.in}.out\\\"\\n\")\n \n # Skip if output already exists and isn't empty\n f.write(\" if [ -s \\\"$OUT_FILE\\\" ]; then\\n\")\n f.write(\" echo \\\"Rank $RANK: Skipping $IN_FILE (already done)\\\"\\n\")\n f.write(\" continue\\n\")\n f.write(\" fi\\n\\n\")\n \n # Isolated work directory to prevent GPU scratch-file collisions\n f.write(\" WORKDIR=\\\"work_rank_${RANK}_idx_${i}\\\"\\n\")\n f.write(\" mkdir -p $WORKDIR && cp $IN_FILE $WORKDIR/in.in\\n\")\n \n f.write(\" echo \\\"Rank $RANK: Starting $IN_FILE on GPU $RANK\\\"\\n\")\n # Execute pw.x\n f.write(\" /kaggle/working/q-e-qe-7.6/bin/pw.x -in $WORKDIR/in.in > $OUT_FILE\\n\")\n \n f.write(\" rm -rf $WORKDIR\\n\")\n f.write(\"done\\n\")\n\n!chmod +x run_parallel.sh\n\n# 4. Launch the two workers\nfiles_str = \" \".join(target_files)\n!mpirun --allow-run-as-root -np 2 --bind-to none ./run_parallel.sh {files_str}","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"## 6.(Optional) In case .in files not present and only .xyz file available ","metadata":{}},{"cell_type":"markdown","source":"Run this if you have .in files and need ld1.x to run to create a .upf file.","metadata":{}},{"cell_type":"code","source":"'''!cd /kaggle/working/q-e-qe-7.6/bin\n!make ld1 -j2'''\n!cd /kaggle/input/datasets/pcsciprav/actinide-basis-set-rel/fully-relativistic-basis\n!../q-e-qe-7.2/bin/ld1.x < /kaggle/input/datasets/pcsciprav/actinide-basis-set-rel/fully-relativistic-basis/pu.in > pu.out\n# Change the .in and .out file names to match the input .in file name. Use the same .out name.","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Change the link to any pseudopotential file as an alternative to ld1.","metadata":{}},{"cell_type":"code","source":"!wget https://pseudopotentials.quantum-espresso.org/upf_files/V.pbe-spnl-kjpaw_psl.1.0.0.UPF\n#!wget https://pseudopotentials.quantum-espresso.org/upf_files/N.rel-pz-n-kjpaw_psl.1.0.0.UPF\n#!wget https://pseudopotentials.quantum-espresso.org/upf_files/F.rel-pbe-n-kjpaw_psl.0.1.UPF","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Run this snippet first and ensure persistence is set to files or variables and files.","metadata":{}},{"cell_type":"code","source":"import os\nimport shutil\nimport requests\n\nPSEUDO_DIR = \"pseudo\"\nos.makedirs(PSEUDO_DIR, exist_ok=True)\nBASE_URL = \"https://pseudopotentials.quantum-espresso.org/upf_files/\"\n\nmanual_pseudos = {\n #'V': '/kaggle/working/q-e-qe-7.5/V.pbe-spnl-kjpaw_psl.1.0.0.UPF'\n}\n\nmasses = {\n 'U': 238.03,\n 'Pu': 244.06,\n 'Au': 196.966570,\n 'Fr': 223,\n 'Cs': 132.91,\n 'N': 14.007,\n 'Nd': 144.242,\n 'Tc': 97.907,\n 'As': 74.9216,\n 'O': 16,\n 'C': 12,\n 'Os': 190.23,\n 'Pt': 198.9705762,\n 'Hg': 200.59,\n 'F': 18.998\n}\n\nhubbard_u = {\n #'U': 3.0\n}\n\ndef find_pseudo(element):\n return [\n f\"{element}.pbe-spn-kjpaw_psl.1.0.0.UPF\",\n f\"{element}.pbe-n-kjpaw_psl.1.0.0.UPF\",\n f\"{element}.pbe-kjpaw_psl.1.0.0.UPF\",\n ]\n\ndef try_download(element):\n for name in find_pseudo(element):\n path = os.path.join(PSEUDO_DIR, name)\n\n if os.path.exists(path):\n print(f\"Using existing pseudo: {path}\")\n return name\n\n url = BASE_URL + name\n try:\n r = requests.get(url, timeout=30)\n if r.status_code == 200 and len(r.content) > 0:\n with open(path, \"wb\") as f:\n f.write(r.content)\n print(f\"Downloaded {name}\")\n return name\n except Exception as e:\n print(f\"Could not download {name}: {e}\")\n\n return None\n\ndef install_manual_pseudo(element):\n src = manual_pseudos[element]\n if not os.path.exists(src):\n raise FileNotFoundError(f\"Manual pseudopotential for {element} not found: {src}\")\n\n filename = os.path.basename(src)\n dst = os.path.join(PSEUDO_DIR, filename)\n\n if not os.path.exists(dst):\n shutil.copyfile(src, dst)\n print(f\"Copied manual pseudo for {element} to {dst}\")\n else:\n print(f\"Using existing copied pseudo for {element}: {dst}\")\n\n return filename\n\ndef download_pseudo(element):\n if element in manual_pseudos:\n return install_manual_pseudo(element)\n\n result = try_download(element)\n if result:\n return result\n\n raise Exception(f\"No pseudopotential found for {element}\")\n\ndef xyz_to_qe(xyz_file, output=\"input.in\"):\n with open(xyz_file, \"r\", encoding=\"utf-8\") as f:\n lines = f.readlines()\n\n nat = int(lines[0].strip())\n coords = lines[2:2 + nat]\n\n atoms = []\n species_ordered = []\n\n for line in coords:\n parts = line.split()\n if len(parts) < 4:\n raise ValueError(f\"Invalid XYZ line: {line!r}\")\n el, x, y, z = parts[:4]\n x = float(x) + 10.0\n y = float(y) + 10.0\n z = float(z) + 10.0\n atoms.append((el, x, y, z))\n if el not in species_ordered:\n species_ordered.append(el)\n\n pseudo_map = {}\n for el in species_ordered:\n pseudo_map[el] = download_pseudo(el)\n\n with open(output, \"w\", encoding=\"ascii\", newline=\"\\n\") as f:\n # CONTROL\n f.write(\"&CONTROL\\n\")\n f.write(\" calculation = 'relax'\\n\") # Either keep it as relax or scf\n f.write(\" restart_mode='restart'\\n\")\n f.write(\" pseudo_dir = './pseudo/'\\n\")\n f.write(\" outdir = './tmp/'\\n\")\n f.write(\" prefix = 'calc'\\n\")\n f.write(\" tprnfor = .true.\\n\") # Remove this and the line below if forces for phonons not needed\n f.write(\" tstress = .true.\\n\")\n f.write(\"/\\n\\n\")\n\n # SYSTEM\n f.write(\"&SYSTEM\\n\")\n f.write(f\" nat = {nat}\\n\")\n f.write(f\" ntyp = {len(species_ordered)}\\n\")\n f.write(\" ecutwfc = 45\\n\")\n #f.write(\" tot_charge = 1\\n\") # Remove comment if using charged body\n f.write(\" ecutrho = 360\\n\")\n # f.write(\" nbnd = 112\\n\")\n f.write(\" input_dft = 'PBE'\\n\")\n f.write(\" occupations = 'smearing'\\n\")\n f.write(\" smearing = 'gaussian'\\n\")\n f.write(\" degauss = 0.005\\n\")\n f.write(\" vdw_corr = 'grimme-d3'\\n\")\n f.write(\" dftd3_version = 4\\n\")\n f.write(\" dftd3_threebody = .false.\\n\")\n f.write(\" assume_isolated = 'mt'\\n\")\n f.write(\" ibrav = 0\\n\")\n f.write(\" nosym = .true.\\n\")\n f.write(\" noinv = .true.\\n\")\n f.write(\" noncolin = .false.\\n\")\n f.write(\" lspinorb = .false.\\n\")\n f.write(\"/\\n\\n\")\n\n # ELECTRONS\n f.write(\"&ELECTRONS\\n\")\n f.write(\" conv_thr = 1.0d-8\\n\")\n f.write(\" mixing_beta = 0.3\\n\")\n f.write(\" mixing_mode = 'local-TF'\\n\")\n f.write(\" electron_maxstep = 250\\n\")\n f.write(\"/\\n\\n\")\n \n # IONS\n # Use only when running calculation = relax, otherwise comment it out. Change damp to bfgs if the system is fairly stable.\n f.write(\"&IONS\\n\")\n f.write(\" ion_dynamics = 'bfgs'\\n\")\n f.write(\" trust_radius_ini = 0.10\\n\") # Lower for unstable systems\n f.write(\" trust_radius_max = 0.50\\n\") # Lower for unstable systems\n #f.write(\" upscale = 0.5\\n\")\n f.write(\"/\\n\\n\")\n\n # ATOMIC_SPECIES\n f.write(\"ATOMIC_SPECIES\\n\")\n for el in species_ordered:\n mass = masses.get(el, 1.0)\n pseudo_filename = pseudo_map[el]\n f.write(f\"{el:>3} {mass:10.5f} {pseudo_filename}\\n\")\n \n # ATOMIC_POSITIONS\n f.write(\"\\nATOMIC_POSITIONS angstrom\\n\")\n for el, x, y, z in atoms:\n f.write(f\"{el:>3} {x} {y} {z}\\n\")\n \n # CELL PARAMETERS ANGSTROMS\n f.write(\"\\nCELL_PARAMETERS angstrom\\n\")\n f.write(\"20.0 0.0 0.0\\n\")\n f.write(\"0.0 20.0 0.0\\n\")\n f.write(\"0.0 0.0 20.0\\n\")\n\n # K_POINTS\n f.write(\"\\nK_POINTS gamma\\n\")\n #f.write(\"1 1 1 0 0 0\\n\")\n\n # HUBBARD\n has_hubbard = any(el in hubbard_u for el in species_ordered)\n if has_hubbard:\n f.write(\"\\nHUBBARD ortho-atomic\\n\")\n for el in species_ordered:\n if el in hubbard_u:\n f.write(f\"U {el}-5f {hubbard_u[el]}\\n\")\n\n print(f\"QE input ready: {output}\")\n print(\"Pseudopotentials used:\")\n for el in species_ordered:\n print(f\" {el} -> {pseudo_map[el]}\")\n\nxyz_to_qe(\"/kaggle/input/datasets/pcsciprav/personal-project-molecules/Molecules_screening/C2N28O20.xyz\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-17T06:33:20.18594Z","iopub.execute_input":"2026-08-17T06:33:20.186725Z","iopub.status.idle":"2026-08-17T06:33:22.726504Z","shell.execute_reply.started":"2026-08-17T06:33:20.18669Z","shell.execute_reply":"2026-08-17T06:33:22.725482Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Using existing pseudo: pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF\nUsing existing pseudo: pseudo/O.pbe-n-kjpaw_psl.1.0.0.UPF\nUsing existing pseudo: pseudo/C.pbe-n-kjpaw_psl.1.0.0.UPF\nQE input ready: input.in\nPseudopotentials used:\n N -> N.pbe-n-kjpaw_psl.1.0.0.UPF\n O -> O.pbe-n-kjpaw_psl.1.0.0.UPF\n C -> C.pbe-n-kjpaw_psl.1.0.0.UPF\n","output_type":"stream"}],"execution_count":15},{"cell_type":"code","source":"prefix = \"calc\"\noutdir = \"./tmp/\"\nfilhess = f\"{prefix}.hess\"\nstep = 1.0e-3\n\nd3hess_input = f\"\"\"&INPUT\n prefix = '{prefix}',\n outdir = '{outdir}',\n filhess = '{filhess}',\n step = {step:.1e}\n/\n\"\"\"\n\nwith open(\"d3hess.in\", \"w\") as f:\n f.write(d3hess_input)\n\nprint(\"Created d3hess.in\")\nprint(d3hess_input)","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Clones input.in to the supercell.in for running parallel finite displacement phonons.","metadata":{}},{"cell_type":"code","source":"import glob\n\n# 1. Read your baseline file and split it in half around the coordinates\nwith open('input.in', 'r') as f:\n baseline_lines = f.readlines()\n\npre_positions = []\npost_positions = []\nis_positions_block = False\npassed_positions = False\n\n# These keywords tell the script when the position block ends\nqe_keywords = ['&CONTROL', '&SYSTEM', '&ELECTRONS', '&IONS', '&CELL', \n 'K_POINTS', 'CELL_PARAMETERS', 'ATOMIC_SPECIES']\n\nfor line in baseline_lines:\n line_upper = line.strip().upper()\n \n if line_upper.startswith('ATOMIC_POSITIONS'):\n is_positions_block = True\n continue\n \n if is_positions_block:\n if any(line_upper.startswith(kw) for kw in qe_keywords):\n is_positions_block = False\n passed_positions = True\n post_positions.append(line)\n continue\n \n if not is_positions_block:\n if not passed_positions:\n pre_positions.append(line)\n else:\n post_positions.append(line)\n\n# 2. Extract the nudged coordinates from Phonopy's files\nfor target_file in glob.glob('supercell-*.in'):\n with open(target_file, 'r') as f:\n target_lines = f.readlines()\n \n new_positions = []\n in_target_pos = False\n \n for line in target_lines:\n line_upper = line.strip().upper()\n \n if line_upper.startswith('ATOMIC_POSITIONS'):\n in_target_pos = True\n new_positions.append(line)\n continue\n \n if in_target_pos:\n if any(line_upper.startswith(kw) for kw in qe_keywords):\n break\n if line.strip(): # Keep the coordinate lines\n new_positions.append(line)\n\n # 3. Sandwich the new coordinates inside your original baseline settings\n if new_positions:\n with open(target_file, 'w') as f:\n f.writelines(pre_positions)\n f.write(\"\\n\")\n f.writelines(new_positions)\n f.write(\"\\n\")\n f.writelines(post_positions)\n print(f\"Successfully applied baseline settings to: {target_file}\")\n else:\n print(f\"Skipped: Could not find coordinates in {target_file}\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy-init -d --qe --dim=\"1 1 1\" -c input.in","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!rm -rf supercell-*.in\n!rm -rf supercell.in","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy --qe -f supercell-[0-9][0-9][0-9].out","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!touch mesh.conf\nwith open(\"mesh.conf\", \"w\") as f:\n f.write(\"ATOM_NAME = C N F O H\\n\")\n f.write(\"DIM = 1 1 1\\n\")\n f.write(\"MESH = 1 1 1\\n\")\n f.write(\"FORCE_SETS = READ\\n\")\n\nprint(\"mesh.conf has been created successfully.\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy --qe -c input.in -p mesh.conf","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!cat mesh.yaml","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Used to create molecular dynamics setup. Can be extremely sensitive.","metadata":{}},{"cell_type":"code","source":"def xyz_to_qe(xyz_file, output=\"input.in\", mode='cp'):\n with open(xyz_file, \"r\", encoding=\"utf-8\") as f:\n lines = f.readlines()\n\n nat = int(lines[0].strip())\n coords = lines[2:2 + nat]\n atoms = []\n species_ordered = []\n\n for line in coords:\n parts = line.split()\n el, x, y, z = parts[:4]\n atoms.append((el, float(x)+10.0, float(y)+10.0, float(z)+10.0))\n if el not in species_ordered: species_ordered.append(el)\n\n pseudo_map = {el: download_pseudo(el) for el in species_ordered}\n\n with open(output, \"w\", encoding=\"ascii\", newline=\"\\n\") as f:\n # --- 1. CONTROL ---\n # Stripped to the absolute bare minimums\n f.write(\"&CONTROL\\n\")\n f.write(\" calculation = 'cp',\\n\")\n f.write(\" restart_mode = 'from_scratch',\\n\")\n f.write(\" prefix = 'tesseract',\\n\")\n f.write(\" pseudo_dir = './pseudo/',\\n\")\n f.write(\" outdir = './tmp/',\\n\")\n f.write(\" dt = 5.0,\\n\")\n f.write(\" nstep = 500,\\n\")\n f.write(\" ndr = 51,\\n\")\n f.write(\" ndw = 51\\n\") # Removed TQR\n f.write(\"/\\n\\n\")\n\n # --- 2. SYSTEM ---\n f.write(\"&SYSTEM\\n\")\n f.write(f\" ibrav = 0, nat = {nat}, ntyp = {len(species_ordered)},\\n\")\n f.write(\" ecutwfc = 65.0,\\n\")\n f.write(\" ecutrho = 260.0,\\n\")\n f.write(\" input_dft = 'PBE',\\n\")\n f.write(\" nosym = .true.\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 3. ELECTRONS ---\n f.write(\"&ELECTRONS\\n\")\n f.write(\" electron_dynamics = 'damp',\\n\")\n f.write(\" electron_damping = 0.1,\\n\")\n f.write(\" emass = 400.0,\\n\")\n f.write(\" emass_cutoff = 2.5\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 4. IONS ---\n f.write(\"&IONS\\n\")\n f.write(\" ion_dynamics = 'none'\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 5. ATOMIC DATA ---\n f.write(\"ATOMIC_SPECIES\\n\")\n for el in species_ordered:\n f.write(f\"{el:>3} {masses.get(el, 1.0):10.5f} {pseudo_map[el]}\\n\")\n\n f.write(\"\\nATOMIC_POSITIONS angstrom\\n\")\n for el, x, y, z in atoms:\n f.write(f\"{el:>3} {x:12.8f} {y:12.8f} {z:12.8f}\\n\")\n \n f.write(\"\\nCELL_PARAMETERS angstrom\\n\")\n f.write(\"20.0 0.0 0.0\\n0.0 20.0 0.0\\n0.0 0.0 20.0\\n\")\n\n print(f\"✅ Clean CP Input ready: {output}\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Generates ph.x input, to be used only after running d3hess.x","metadata":{}},{"cell_type":"code","source":"def generate_ph_input_fixed(prefix=\"calc\", outdir=\"./tmp/\", verbosity=\"high\"):\n with open(\"ph.in\", \"w\") as f:\n f.write(\"&inputph\\n\")\n f.write(f\" prefix = '{prefix}',\\n\")\n f.write(f\" outdir = '{outdir}',\\n\")\n f.write(\" tr2_ph = 1.0d-10,\\n\")\n f.write(\" alpha_mix(1) = 0.10,\\n\")\n f.write(\" nmix_ph = 8,\\n\")\n f.write(\" diagonalization = 'cg',\\n\")\n f.write(\" recover = .true.,\\n\")\n f.write(\" niter_ph = 50,\\n\")\n f.write(\" search_sym = .false.,\\n\")\n f.write(\" fildyn = 'calc.dyn',\\n\")\n f.write(\" trans = .true.,\\n\")\n #f.write(\" ldisp = .false.,\\n\")\n f.write(f\" verbosity = '{verbosity}'\\n\")\n f.write(\"/\\n\")\n f.write(\"0.0 0.0 0.0\\n\")\n\n print(\"Generated ph.in for Gamma point molecular vibrational frequencies\")\n\n# Test single q-point first\ngenerate_ph_input_fixed(verbosity='high')","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"NASA CEA Propellant checker","metadata":{}},{"cell_type":"code","source":"from rocketcea.cea_obj import CEA_Obj\nfrom rocketcea import cea_obj\n\n# 1. Define your custom monopropellant card\n# Format: 'ChemicalFormula', Enthalpy(kJ/mol), Density(g/cc, optional)\n# Swap C12H12N12O12F2 with your EXACT atom counts from your QE file.\n# Swap -500.0 with your calculated Heat of Formation in kJ/mol.\n\ncard_str = \"\"\"\nfuel MyCustomPropellant C 12 H 6 N 14 O 10 F 2 wt=100.0\nh,kj/mol=-500.0 t(k)=298.15\n\"\"\"\n\n# 2. Inject it into RocketCEA's internal dictionary\ncea_obj.add_new_fuel('MyCustomPropellant', card_str)\n\n# 3. Create the CEA Object\n# For a monopropellant, we name it as the fuel, and just pick a dummy oxidizer (like LOX)\n# because we will set the Mixture Ratio to 0.0 anyway.\nispObj = CEA_Obj(oxName=\"LOX\", fuelName=\"MyCustomPropellant\")\n\n# 4. Pull the juicy metrics\n# Pc = Chamber Pressure (psia) -> 1000.0 is industry standard for screening\n# eps = Nozzle Expansion Area Ratio -> 40.0 is standard for vacuum screening\n# MR = Mixture Ratio -> MUST BE 0.0 for a monopropellant (it burns itself)\nPc = 1000.0\neps = 40.0\nMR = 0.0\n\n# This single function pulls Vacuum Isp, C-Star (characteristic velocity), and Combustion Temp\nfinal_text = ispObj.get_full_cea_output(Pc=Pc, MR=MR)\n\n# Grab the average Molecular Weight and Gamma (ratio of specific heats) of the chamber exhaust gases\n_, _, _, mw_exhaust, gamma = ispObj.get_IvacCstrTc_ChmMwGam(Pc=Pc, MR=MR, eps=eps)\n\nwith open(\"propellant_products.txt\", \"w\") as f:\n f.write(final_text)\nprint(f\"Exhaust MW: {mw_exhaust}, Gamma: {gamma}\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[],"execution_count":null}]} \ No newline at end of file +{"metadata":{"kernelspec":{"language":"python","display_name":"Python 3","name":"python3"},"language_info":{"name":"python","version":"3.12.12","mimetype":"text/x-python","codemirror_mode":{"name":"ipython","version":3},"pygments_lexer":"ipython3","nbconvert_exporter":"python","file_extension":".py"},"kaggle":{"accelerator":"gpu","dataSources":[{"sourceType":"datasetVersion","sourceId":15490887},{"sourceType":"datasetVersion","sourceId":15564737},{"sourceType":"datasetVersion","sourceId":15654163},{"sourceType":"datasetVersion","sourceId":15660946},{"sourceType":"datasetVersion","sourceId":15664593},{"sourceType":"datasetVersion","sourceId":15664603},{"sourceType":"datasetVersion","sourceId":15809101},{"sourceType":"datasetVersion","sourceId":17784416},{"sourceType":"datasetVersion","sourceId":18918875}],"isInternetEnabled":true,"language":"python","sourceType":"notebook","isGpuEnabled":false}},"nbformat_minor":4,"nbformat":4,"cells":[{"cell_type":"markdown","source":"# Quantum ESPRESSO installation guide on Python for P100 GPU","metadata":{}},{"cell_type":"markdown","source":"## 1. Install Dependencies","metadata":{}},{"cell_type":"code","source":"%%bash\napt-get update\napt-get install -y build-essential wget \\\n libfftw3-dev libblas-dev liblapack-dev \\\n libscalapack-mpi-dev libopenmpi-dev openmpi-bin\napt-get install -y libxc-dev libxc9\npip install numpy scipy pyyaml matplotlib phonopy ase cclib","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-17T17:26:49.179509Z","iopub.execute_input":"2026-08-17T17:26:49.180239Z","iopub.status.idle":"2026-08-17T17:26:51.571725Z","shell.execute_reply.started":"2026-08-17T17:26:49.180208Z","shell.execute_reply":"2026-08-17T17:26:51.570759Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"Process is interrupted.\n","output_type":"stream"}],"execution_count":28},{"cell_type":"markdown","source":"## 2. Download Quantum ESPRESSO and NVFORTRAN/NVHPC SDK","metadata":{}},{"cell_type":"markdown","source":"Will take ~15-17 GiB of output space, ensure there is enough storage","metadata":{}},{"cell_type":"code","source":"!cd \n!wget https://github.com/QEF/q-e/archive/refs/tags/qe-7.6.tar.gz\n!tar -xvf qe-7.6.tar.gz\n!rm -rf /kaggle/working/qe-7.6.tar.gz\n%cd q-e-qe-7.6","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:26:51.573208Z","iopub.execute_input":"2026-08-17T17:26:51.573526Z","iopub.status.idle":"2026-08-17T17:26:57.320954Z","shell.execute_reply.started":"2026-08-17T17:26:51.573503Z","shell.execute_reply":"2026-08-17T17:26:57.320094Z"}},"outputs":[{"name":"stdout","text":"--2026-08-17 17:26:51-- https://github.com/QEF/q-e/archive/refs/tags/qe-7.6.tar.gz\nResolving github.com (github.com)... 140.82.121.4\nConnecting to github.com (github.com)|140.82.121.4|:443... connected.\nHTTP request sent, awaiting response... 302 Found\nLocation: https://codeload.github.com/QEF/q-e/tar.gz/refs/tags/qe-7.6 [following]\n--2026-08-17 17:26:52-- https://codeload.github.com/QEF/q-e/tar.gz/refs/tags/qe-7.6\nResolving codeload.github.com (codeload.github.com)... 140.82.121.10\nConnecting to codeload.github.com (codeload.github.com)|140.82.121.10|:443... connected.\nHTTP request sent, awaiting response... 200 OK\nLength: unspecified [application/x-gzip]\nSaving to: ‘qe-7.6.tar.gz’\n\nqe-7.6.tar.gz [ <=> ] 32.81M 9.78MB/s ^C\nq-e-qe-7.6/\nq-e-qe-7.6/.ci/\nq-e-qe-7.6/.ci/cineca.yml\nq-e-qe-7.6/.cmake-format\nq-e-qe-7.6/.editorconfig\nq-e-qe-7.6/.github/\nq-e-qe-7.6/.github/pull_request_template.md\nq-e-qe-7.6/.gitignore\nq-e-qe-7.6/.gitlab-ci-main.yml\nq-e-qe-7.6/.gitlab-ci-version-consistency.yml\nq-e-qe-7.6/.gitlab-ci.yml\nq-e-qe-7.6/.gitmodules\nq-e-qe-7.6/.travis.yml\nq-e-qe-7.6/CMakeLists.txt\nq-e-qe-7.6/CONTRIBUTING.md\nq-e-qe-7.6/COUPLE/\nq-e-qe-7.6/COUPLE/CMakeLists.txt\nq-e-qe-7.6/COUPLE/Makefile\nq-e-qe-7.6/COUPLE/README\nq-e-qe-7.6/COUPLE/examples/\nq-e-qe-7.6/COUPLE/examples/Makefile.gfortran\nq-e-qe-7.6/COUPLE/examples/Makefile.ifort\nq-e-qe-7.6/COUPLE/examples/README\nq-e-qe-7.6/COUPLE/examples/c2cp.cpp\nq-e-qe-7.6/COUPLE/examples/c2pw.cpp\nq-e-qe-7.6/COUPLE/examples/f2cp.f90\nq-e-qe-7.6/COUPLE/examples/f2pw.f90\nq-e-qe-7.6/COUPLE/include/\nq-e-qe-7.6/COUPLE/include/libqecouple.h\nq-e-qe-7.6/COUPLE/src/\nq-e-qe-7.6/COUPLE/src/Makefile\nq-e-qe-7.6/COUPLE/src/libcpv.f90\nq-e-qe-7.6/COUPLE/src/libpwscf.f90\nq-e-qe-7.6/COUPLE/src/libqemod.f90\nq-e-qe-7.6/COUPLE/tests/\nq-e-qe-7.6/COUPLE/tests/check-couple.j\nq-e-qe-7.6/COUPLE/tests/clean_all\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-0.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-16.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-2.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.c-4.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-0.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-16.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-2.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.f-4.ref\nq-e-qe-7.6/COUPLE/tests/h2o-mt-blyp.cp.in\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-0.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-16.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-2.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.c-4.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-0.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-16.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-2.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.f-4.ref\nq-e-qe-7.6/COUPLE/tests/metal.pw.in\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-0.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-16.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-2.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.c-4.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-0.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-16.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-2.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.f-4.ref\nq-e-qe-7.6/COUPLE/tests/scf.pw.in\nq-e-qe-7.6/CPV/\nq-e-qe-7.6/CPV/CMakeLists.txt\nq-e-qe-7.6/CPV/Doc/\nq-e-qe-7.6/CPV/Doc/INPUT_CP.def\nq-e-qe-7.6/CPV/Doc/INPUT_CPPP.def\nq-e-qe-7.6/CPV/Doc/INPUT_WFDD\nq-e-qe-7.6/CPV/Doc/Makefile\nq-e-qe-7.6/CPV/Doc/autopilot_guide.md\nq-e-qe-7.6/CPV/Doc/pandoc_template.html\nq-e-qe-7.6/CPV/Doc/pandoc_template.tex\nq-e-qe-7.6/CPV/Doc/tp.tex\nq-e-qe-7.6/CPV/Doc/user_guide.md\nq-e-qe-7.6/CPV/Ford.md\nq-e-qe-7.6/CPV/Ford/\nq-e-qe-7.6/CPV/Ford/index.md\nq-e-qe-7.6/CPV/Makefile\nq-e-qe-7.6/CPV/examples/\nq-e-qe-7.6/CPV/examples/EXX-wf-example/\nq-e-qe-7.6/CPV/examples/EXX-wf-example/01.input\nq-e-qe-7.6/CPV/examples/EXX-wf-example/01.out\nq-e-qe-7.6/CPV/examples/EXX-wf-example/02.input\nq-e-qe-7.6/CPV/examples/EXX-wf-example/02.out\nq-e-qe-7.6/CPV/examples/EXX-wf-example/H_HSCV_PBE-1.0.UPF\nq-e-qe-7.6/CPV/examples/EXX-wf-example/O_HSCV_PBE-1.0.UPF\nq-e-qe-7.6/CPV/examples/EXX-wf-example/README-Parallelization\nq-e-qe-7.6/CPV/examples/EXX-wf-example/README-example\nq-e-qe-7.6/CPV/examples/EXX-wf-example/example-job-script\nq-e-qe-7.6/CPV/examples/Extffield_example/\nq-e-qe-7.6/CPV/examples/Extffield_example/README\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.extffield\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.inp1\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.inp2\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.out1\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/SiH4.out2\nq-e-qe-7.6/CPV/examples/Extffield_example/reference/extffield.dat\nq-e-qe-7.6/CPV/examples/Extffield_example/run_example\nq-e-qe-7.6/CPV/examples/README\nq-e-qe-7.6/CPV/examples/Restart_example/\nq-e-qe-7.6/CPV/examples/Restart_example/README\nq-e-qe-7.6/CPV/examples/Restart_example/reference/\nq-e-qe-7.6/CPV/examples/Restart_example/reference/sio2.cp.restart.out\nq-e-qe-7.6/CPV/examples/Restart_example/reference/sio2.cp.start.out\nq-e-qe-7.6/CPV/examples/Restart_example/reference/sio2.pw.restart.out\nq-e-qe-7.6/CPV/examples/Restart_example/run_example\nq-e-qe-7.6/CPV/examples/autopilot-example/\nq-e-qe-7.6/CPV/examples/autopilot-example/reference/\nq-e-qe-7.6/CPV/examples/autopilot-example/reference/water.autopilot.out\nq-e-qe-7.6/CPV/examples/autopilot-example/run_example_water\nq-e-qe-7.6/CPV/examples/example01/\nq-e-qe-7.6/CPV/examples/example01/README\nq-e-qe-7.6/CPV/examples/example01/reference/\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.cp.restart.out\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.cp.start.out\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.vc-cp.out\nq-e-qe-7.6/CPV/examples/example01/reference/sio2.vc-cp.restart.out\nq-e-qe-7.6/CPV/examples/example01/run_example\nq-e-qe-7.6/CPV/examples/example02/\nq-e-qe-7.6/CPV/examples/example02/README\nq-e-qe-7.6/CPV/examples/example02/reference/\nq-e-qe-7.6/CPV/examples/example02/reference/h2o-mol1.out\nq-e-qe-7.6/CPV/examples/example02/reference/h2o-mol2.out\nq-e-qe-7.6/CPV/examples/example02/reference/h2o-mol3.out\nq-e-qe-7.6/CPV/examples/example02/run_example\nq-e-qe-7.6/CPV/examples/example03/\nq-e-qe-7.6/CPV/examples/example03/README\nq-e-qe-7.6/CPV/examples/example03/reference/\nq-e-qe-7.6/CPV/examples/example03/reference/nh3.out\nq-e-qe-7.6/CPV/examples/example03/run_example\nq-e-qe-7.6/CPV/examples/example04/\nq-e-qe-7.6/CPV/examples/example04/README\nq-e-qe-7.6/CPV/examples/example04/reference/\nq-e-qe-7.6/CPV/examples/example04/reference/h2o-32.out\nq-e-qe-7.6/CPV/examples/example04/reference/h2o-64.out\nq-e-qe-7.6/CPV/examples/example04/run_example\nq-e-qe-7.6/CPV/examples/example05/\nq-e-qe-7.6/CPV/examples/example05/README\nq-e-qe-7.6/CPV/examples/example05/reference/\nq-e-qe-7.6/CPV/examples/example05/reference/h2o.efield.out\nq-e-qe-7.6/CPV/examples/example05/reference/h2o.wannier.out\nq-e-qe-7.6/CPV/examples/example05/run_example\nq-e-qe-7.6/CPV/examples/example06/\nq-e-qe-7.6/CPV/examples/example06/README\nq-e-qe-7.6/CPV/examples/example06/reference/\nq-e-qe-7.6/CPV/examples/example06/reference/h2o.scf.out\nq-e-qe-7.6/CPV/examples/example06/reference/h2o.wannier.out\nq-e-qe-7.6/CPV/examples/example06/run_example\nq-e-qe-7.6/CPV/examples/example07/\nq-e-qe-7.6/CPV/examples/example07/README\nq-e-qe-7.6/CPV/examples/example07/reference/\nq-e-qe-7.6/CPV/examples/example07/reference/c4h6.cp.metaGGA.out\nq-e-qe-7.6/CPV/examples/example07/reference/c4h6.pw.metaGGA.out\nq-e-qe-7.6/CPV/examples/example07/run_example\nq-e-qe-7.6/CPV/examples/example08/\nq-e-qe-7.6/CPV/examples/example08/README\nq-e-qe-7.6/CPV/examples/example08/reference/\nq-e-qe-7.6/CPV/examples/example08/reference/si2.ensemble-dyn.out\nq-e-qe-7.6/CPV/examples/example08/run_example\nq-e-qe-7.6/CPV/examples/example09/\nq-e-qe-7.6/CPV/examples/example09/README\nq-e-qe-7.6/CPV/examples/example09/reference/\nq-e-qe-7.6/CPV/examples/example09/reference/mgo.cp.cg.efield.out\nq-e-qe-7.6/CPV/examples/example09/reference/mgo.cp.cg.out\nq-e-qe-7.6/CPV/examples/example09/reference/mgo.cp.damp.efield.out\nq-e-qe-7.6/CPV/examples/example09/run_example\nq-e-qe-7.6/CPV/src/\nq-e-qe-7.6/CPV/src/Makefile\nq-e-qe-7.6/CPV/src/berryion.f90\nq-e-qe-7.6/CPV/src/bforceion.f90\nq-e-qe-7.6/CPV/src/cg.f90\nq-e-qe-7.6/CPV/src/cg_sub.f90\nq-e-qe-7.6/CPV/src/chargedensity.f90\nq-e-qe-7.6/CPV/src/cp_autopilot.f90\nq-e-qe-7.6/CPV/src/cp_control.f90\nq-e-qe-7.6/CPV/src/cp_emass.f90\nq-e-qe-7.6/CPV/src/cp_interfaces.f90\nq-e-qe-7.6/CPV/src/cp_restart_new.f90\nq-e-qe-7.6/CPV/src/cp_wavefunctions.f90\nq-e-qe-7.6/CPV/src/cplib.f90\nq-e-qe-7.6/CPV/src/cplib_meta.f90\nq-e-qe-7.6/CPV/src/cppp.f90\nq-e-qe-7.6/CPV/src/cpr.f90\nq-e-qe-7.6/CPV/src/cpr_loop.f90\nq-e-qe-7.6/CPV/src/cpr_mod.f90\nq-e-qe-7.6/CPV/src/cprstart.f90\nq-e-qe-7.6/CPV/src/dealloc.f90\nq-e-qe-7.6/CPV/src/dforceb.f90\nq-e-qe-7.6/CPV/src/efermi.f90\nq-e-qe-7.6/CPV/src/efield.f90\nq-e-qe-7.6/CPV/src/eigs0.f90\nq-e-qe-7.6/CPV/src/electrons.f90\nq-e-qe-7.6/CPV/src/electrons_nose.f90\nq-e-qe-7.6/CPV/src/energies.f90\nq-e-qe-7.6/CPV/src/ensemble_dft.f90\nq-e-qe-7.6/CPV/src/entropy.f90\nq-e-qe-7.6/CPV/src/environ_cp_module.f90\nq-e-qe-7.6/CPV/src/exch_corr.f90\nq-e-qe-7.6/CPV/src/exx_cg.f90\nq-e-qe-7.6/CPV/src/exx_es.f90\nq-e-qe-7.6/CPV/src/exx_gs.f90\nq-e-qe-7.6/CPV/src/exx_module.f90\nq-e-qe-7.6/CPV/src/exx_pair.f90\nq-e-qe-7.6/CPV/src/exx_psi.f90\nq-e-qe-7.6/CPV/src/exx_vofr.f90\nq-e-qe-7.6/CPV/src/forces.f90\nq-e-qe-7.6/CPV/src/fromscra.f90\nq-e-qe-7.6/CPV/src/gram.f90\nq-e-qe-7.6/CPV/src/gtable.f90\nq-e-qe-7.6/CPV/src/init.f90\nq-e-qe-7.6/CPV/src/init_run.f90\nq-e-qe-7.6/CPV/src/inner_loop_cold.f90\nq-e-qe-7.6/CPV/src/input.f90\nq-e-qe-7.6/CPV/src/ions_positions.f90\nq-e-qe-7.6/CPV/src/ksstates.f90\nq-e-qe-7.6/CPV/src/ldaU.f90\nq-e-qe-7.6/CPV/src/ldaU_cp.f90\nq-e-qe-7.6/CPV/src/ldaUpen.f90\nq-e-qe-7.6/CPV/src/mainvar.f90\nq-e-qe-7.6/CPV/src/manycp.f90\nq-e-qe-7.6/CPV/src/metaxc.f90\nq-e-qe-7.6/CPV/src/modules.f90\nq-e-qe-7.6/CPV/src/move_electrons.f90\nq-e-qe-7.6/CPV/src/newd.f90\nq-e-qe-7.6/CPV/src/nl_base.f90\nq-e-qe-7.6/CPV/src/nlcc.f90\nq-e-qe-7.6/CPV/src/ortho.f90\nq-e-qe-7.6/CPV/src/ortho_base.f90\nq-e-qe-7.6/CPV/src/phasefactor.f90\nq-e-qe-7.6/CPV/src/plugin_add_potential.f90\nq-e-qe-7.6/CPV/src/plugin_clean.f90\nq-e-qe-7.6/CPV/src/plugin_clock.f90\nq-e-qe-7.6/CPV/src/plugin_energy.f90\nq-e-qe-7.6/CPV/src/plugin_ext_forces.f90\nq-e-qe-7.6/CPV/src/plugin_get_potential.f90\nq-e-qe-7.6/CPV/src/plugin_init_base.f90\nq-e-qe-7.6/CPV/src/plugin_init_cell.f90\nq-e-qe-7.6/CPV/src/plugin_init_ions.f90\nq-e-qe-7.6/CPV/src/plugin_initialization.f90\nq-e-qe-7.6/CPV/src/plugin_int_forces.f90\nq-e-qe-7.6/CPV/src/plugin_print_energies.f90\nq-e-qe-7.6/CPV/src/plugin_print_info.f90\nq-e-qe-7.6/CPV/src/plugin_read_input.f90\nq-e-qe-7.6/CPV/src/plugin_utilities.f90\nq-e-qe-7.6/CPV/src/potentials.f90\nq-e-qe-7.6/CPV/src/pres_ai_mod.f90\nq-e-qe-7.6/CPV/src/print_out.f90\nq-e-qe-7.6/CPV/src/problem_size.f90\nq-e-qe-7.6/CPV/src/pseudo_base.f90\nq-e-qe-7.6/CPV/src/pseudopot.f90\nq-e-qe-7.6/CPV/src/pseudopot_sub.f90\nq-e-qe-7.6/CPV/src/qmatrixd.f90\nq-e-qe-7.6/CPV/src/qqberry.f90\nq-e-qe-7.6/CPV/src/restart.f90\nq-e-qe-7.6/CPV/src/restart_sub.f90\nq-e-qe-7.6/CPV/src/runcp.f90\nq-e-qe-7.6/CPV/src/sic.f90\nq-e-qe-7.6/CPV/src/smallbox.f90\nq-e-qe-7.6/CPV/src/smallbox_grid.f90\nq-e-qe-7.6/CPV/src/smallbox_gvec.f90\nq-e-qe-7.6/CPV/src/smallbox_lib.f90\nq-e-qe-7.6/CPV/src/smallbox_subs.f90\nq-e-qe-7.6/CPV/src/spinsq.f90\nq-e-qe-7.6/CPV/src/spline.f90\nq-e-qe-7.6/CPV/src/stop_run.f90\nq-e-qe-7.6/CPV/src/stress.f90\nq-e-qe-7.6/CPV/src/vofrho.f90\nq-e-qe-7.6/CPV/src/vol_clu.f90\nq-e-qe-7.6/CPV/src/wannier.f90\nq-e-qe-7.6/CPV/src/wannier_base.f90\nq-e-qe-7.6/CPV/src/wave.f90\nq-e-qe-7.6/CPV/src/wave_base.f90\nq-e-qe-7.6/CPV/src/wave_types.f90\nq-e-qe-7.6/CPV/src/wf.f90\nq-e-qe-7.6/CPV/src/wfdd.f90\nq-e-qe-7.6/Doc/\nq-e-qe-7.6/Doc/CMakeLists.txt\nq-e-qe-7.6/Doc/ChangeLog.cp\nq-e-qe-7.6/Doc/ChangeLog.old\nq-e-qe-7.6/Doc/ChangeLog.pw\nq-e-qe-7.6/Doc/ExternalForceFields.tex\nq-e-qe-7.6/Doc/Hubbard_input.tex\nq-e-qe-7.6/Doc/Makefile\nq-e-qe-7.6/Doc/README\nq-e-qe-7.6/Doc/brillouin_zones.tex\nq-e-qe-7.6/Doc/constraints_HOWTO.tex\nq-e-qe-7.6/Doc/html.sty\nq-e-qe-7.6/Doc/images/\nq-e-qe-7.6/Doc/images/bcc_bi.png\nq-e-qe-7.6/Doc/images/bco_1.png\nq-e-qe-7.6/Doc/images/bco_2.png\nq-e-qe-7.6/Doc/images/bco_3.png\nq-e-qe-7.6/Doc/images/bco_4.png\nq-e-qe-7.6/Doc/images/bco_5.png\nq-e-qe-7.6/Doc/images/bco_6.png\nq-e-qe-7.6/Doc/images/cubic_bi.png\nq-e-qe-7.6/Doc/images/fcc_bi.png\nq-e-qe-7.6/Doc/images/fcc_sc.png\nq-e-qe-7.6/Doc/images/hex.png\nq-e-qe-7.6/Doc/images/monob.png\nq-e-qe-7.6/Doc/images/monoc.png\nq-e-qe-7.6/Doc/images/ofc_1.png\nq-e-qe-7.6/Doc/images/ofc_10.png\nq-e-qe-7.6/Doc/images/ofc_11.png\nq-e-qe-7.6/Doc/images/ofc_12.png\nq-e-qe-7.6/Doc/images/ofc_13.png\nq-e-qe-7.6/Doc/images/ofc_14.png\nq-e-qe-7.6/Doc/images/ofc_15.png\nq-e-qe-7.6/Doc/images/ofc_16.png\nq-e-qe-7.6/Doc/images/ofc_17.png\nq-e-qe-7.6/Doc/images/ofc_18.png\nq-e-qe-7.6/Doc/images/ofc_2.png\nq-e-qe-7.6/Doc/images/ofc_3.png\nq-e-qe-7.6/Doc/images/ofc_4.png\nq-e-qe-7.6/Doc/images/ofc_5.png\nq-e-qe-7.6/Doc/images/ofc_6.png\nq-e-qe-7.6/Doc/images/ofc_7.png\nq-e-qe-7.6/Doc/images/ofc_8.png\nq-e-qe-7.6/Doc/images/ofc_9.png\nq-e-qe-7.6/Doc/images/ofco_1.png\nq-e-qe-7.6/Doc/images/ofco_2.png\nq-e-qe-7.6/Doc/images/so.png\nq-e-qe-7.6/Doc/images/st.png\nq-e-qe-7.6/Doc/images/stc1.png\nq-e-qe-7.6/Doc/images/stc2.png\nq-e-qe-7.6/Doc/images/stc2_sc.png\nq-e-qe-7.6/Doc/images/tri_1.png\nq-e-qe-7.6/Doc/images/tri_2.png\nq-e-qe-7.6/Doc/pic/\nq-e-qe-7.6/Doc/pic/hh_fes.pdf\nq-e-qe-7.6/Doc/pic/sn2_fes.pdf\nq-e-qe-7.6/Doc/pic/sn2_reaction.pdf\nq-e-qe-7.6/Doc/pic/sn2cv.pdf\nq-e-qe-7.6/Doc/pic/sn2cvs.pdf\nq-e-qe-7.6/Doc/plumed_quick_ref.tex\nq-e-qe-7.6/Doc/quantum_espresso.png\nq-e-qe-7.6/Doc/quote.tex\nq-e-qe-7.6/Doc/release-notes\nq-e-qe-7.6/Doc/user_guide.tex\nq-e-qe-7.6/EPW/\nq-e-qe-7.6/EPW/.dependencies\nq-e-qe-7.6/EPW/CMakeLists.txt\nq-e-qe-7.6/EPW/License\nq-e-qe-7.6/EPW/Makefile\nq-e-qe-7.6/EPW/README\nq-e-qe-7.6/EPW/ZG/\nq-e-qe-7.6/EPW/ZG/README\nq-e-qe-7.6/EPW/ZG/src/\nq-e-qe-7.6/EPW/ZG/src/Makefile\nq-e-qe-7.6/EPW/ZG/src/ZG.f90\nq-e-qe-7.6/EPW/ZG/src/bands_unfold.f90\nq-e-qe-7.6/EPW/ZG/src/disca.f90\nq-e-qe-7.6/EPW/ZG/src/epsilon_Gaus.f90\nq-e-qe-7.6/EPW/ZG/src/local/\nq-e-qe-7.6/EPW/ZG/src/local/JDOS.sh\nq-e-qe-7.6/EPW/ZG/src/local/JDOS_Gaus.f90\nq-e-qe-7.6/EPW/ZG/src/local/commands_bands.sh\nq-e-qe-7.6/EPW/ZG/src/local/compile_gfortran.sh\nq-e-qe-7.6/EPW/ZG/src/local/compile_ifort.sh\nq-e-qe-7.6/EPW/ZG/src/local/create_qlist.f90\nq-e-qe-7.6/EPW/ZG/src/local/epsi_av.sh\nq-e-qe-7.6/EPW/ZG/src/local/kpoints_band_str_unfold.f90\nq-e-qe-7.6/EPW/ZG/src/local/merge_bands.sh\nq-e-qe-7.6/EPW/ZG/src/local/merge_files.sh\nq-e-qe-7.6/EPW/ZG/src/local/rotate.f90\nq-e-qe-7.6/EPW/ZG/src/pp_disca.f90\nq-e-qe-7.6/EPW/ZG/src/pp_spctrlfn.f90\nq-e-qe-7.6/EPW/ZG/tutorial.tar.gz\nq-e-qe-7.6/EPW/bin/\nq-e-qe-7.6/EPW/bin/allocate.py\nq-e-qe-7.6/EPW/bin/pp-xml-depreciated.py\nq-e-qe-7.6/EPW/bin/pp.py\nq-e-qe-7.6/EPW/doc/\nq-e-qe-7.6/EPW/doc/Ford/\nq-e-qe-7.6/EPW/doc/Ford/index.md\nq-e-qe-7.6/EPW/doc/graveyard.txt\nq-e-qe-7.6/EPW/epw.md\nq-e-qe-7.6/EPW/examples/\nq-e-qe-7.6/EPW/examples/diamond/\nq-e-qe-7.6/EPW/examples/diamond/epw/\nq-e-qe-7.6/EPW/examples/diamond/epw/epw.in\nq-e-qe-7.6/EPW/examples/diamond/epw/epw2.in\nq-e-qe-7.6/EPW/examples/diamond/epw/epw3.in\nq-e-qe-7.6/EPW/examples/diamond/epw/epw4.in\nq-e-qe-7.6/EPW/examples/diamond/epw/meshes/\nq-e-qe-7.6/EPW/examples/diamond/epw/meshes/kgen.py\nq-e-qe-7.6/EPW/examples/diamond/epw/meshes/path.dat\nq-e-qe-7.6/EPW/examples/diamond/epw/nscf.in\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.H\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.P\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.dynmat\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.epmat_wanep\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/decay.epwane\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/diam.wout\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/epw.out\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/epw2.out\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/lifetime.phself_34\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/linewidth.elself_50\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/linewidth.phself_50\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/nscf.out\nq-e-qe-7.6/EPW/examples/diamond/epw/out.ref/scf.out\nq-e-qe-7.6/EPW/examples/diamond/epw/scf.in\nq-e-qe-7.6/EPW/examples/diamond/phonons/\nq-e-qe-7.6/EPW/examples/diamond/phonons/Ref/\nq-e-qe-7.6/EPW/examples/diamond/phonons/Ref/ph.out\nq-e-qe-7.6/EPW/examples/diamond/phonons/Ref/scf.out\nq-e-qe-7.6/EPW/examples/diamond/phonons/ph.in\nq-e-qe-7.6/EPW/examples/diamond/phonons/pp.py\nq-e-qe-7.6/EPW/examples/diamond/phonons/scf.in\nq-e-qe-7.6/EPW/examples/diamond/pp/\nq-e-qe-7.6/EPW/examples/diamond/pp/C_3.98148.UPF\nq-e-qe-7.6/EPW/examples/gan/\nq-e-qe-7.6/EPW/examples/gan/epw/\nq-e-qe-7.6/EPW/examples/gan/epw/epw.in\nq-e-qe-7.6/EPW/examples/gan/epw/gan_band.qpt\nq-e-qe-7.6/EPW/examples/gan/epw/nscf.in\nq-e-qe-7.6/EPW/examples/gan/epw/scf.in\nq-e-qe-7.6/EPW/examples/gan/phonons/\nq-e-qe-7.6/EPW/examples/gan/phonons/ph.in\nq-e-qe-7.6/EPW/examples/gan/phonons/pp.py\nq-e-qe-7.6/EPW/examples/gan/phonons/scf.in\nq-e-qe-7.6/EPW/examples/gan/pp/\nq-e-qe-7.6/EPW/examples/gan/pp/Ga_ONCV_LDA-1.0.upf\nq-e-qe-7.6/EPW/examples/gan/pp/N_ONCV_LDA-1.0.upf\nq-e-qe-7.6/EPW/examples/lif_elpa/\nq-e-qe-7.6/EPW/examples/lif_elpa/README.txt\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/clean.sh\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/epw1.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/epw2.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/epw3.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/nscf.in\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/run.sh\nq-e-qe-7.6/EPW/examples/lif_elpa/epw/scf.in\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/ph.in\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/run.sh\nq-e-qe-7.6/EPW/examples/lif_elpa/ph/scf.in\nq-e-qe-7.6/EPW/examples/lif_elpa/pseudo/\nq-e-qe-7.6/EPW/examples/lif_elpa/pseudo/F.upf\nq-e-qe-7.6/EPW/examples/lif_elpa/pseudo/Li.upf\nq-e-qe-7.6/EPW/examples/lif_g/\nq-e-qe-7.6/EPW/examples/lif_g/README.txt\nq-e-qe-7.6/EPW/examples/lif_g/check_g.sh\nq-e-qe-7.6/EPW/examples/lif_g/epw/\nq-e-qe-7.6/EPW/examples/lif_g/epw/clean.sh\nq-e-qe-7.6/EPW/examples/lif_g/epw/epw1.in\nq-e-qe-7.6/EPW/examples/lif_g/epw/kpoints.dat\nq-e-qe-7.6/EPW/examples/lif_g/epw/nscf.in\nq-e-qe-7.6/EPW/examples/lif_g/epw/ph.in\nq-e-qe-7.6/EPW/examples/lif_g/epw/qpoints.dat\nq-e-qe-7.6/EPW/examples/lif_g/epw/run.sh\nq-e-qe-7.6/EPW/examples/lif_g/epw/scf.in\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/clean.sh\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/ph.in\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/run.sh\nq-e-qe-7.6/EPW/examples/lif_g/ph_g/scf.in\nq-e-qe-7.6/EPW/examples/lif_g/pseudo/\nq-e-qe-7.6/EPW/examples/lif_g/pseudo/F.upf\nq-e-qe-7.6/EPW/examples/lif_g/pseudo/Li.upf\nq-e-qe-7.6/EPW/examples/lif_hdf5/\nq-e-qe-7.6/EPW/examples/lif_hdf5/11-epsilon/\nq-e-qe-7.6/EPW/examples/lif_hdf5/11-epsilon/epsilon.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/11-epsilon/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/12-sigma/\nq-e-qe-7.6/EPW/examples/lif_hdf5/12-sigma/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/12-sigma/sigma.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/13-kernel/\nq-e-qe-7.6/EPW/examples/lif_hdf5/13-kernel/kernel.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/13-kernel/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/absorption.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/plotxct.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/14-absorption/summarize_eigenvectors.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/README.txt\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/epw1.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/epw2.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/epw3.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/path.kpt\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/ph.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/run.epw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/run.ph.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/epw/scf.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/01-Density/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/01-Density/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/01-Density/scf.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/02-Wfn/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/03-Wfnq/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/04-Wfn_co/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/05-Wfn_fi/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/run-pw2bgw.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.pp.in\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/06-Wfnq_fi/wfn.run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/espresso/link.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/generate_ex_band.py\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/link.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/run.bse.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/kernel.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/13-kernel/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/absorption.inp\nq-e-qe-7.6/EPW/examples/lif_hdf5/finiteQ_grid/seed/14-absorption/run.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/pseudos/\nq-e-qe-7.6/EPW/examples/lif_hdf5/pseudos/F.upf\nq-e-qe-7.6/EPW/examples/lif_hdf5/pseudos/Li.upf\nq-e-qe-7.6/EPW/examples/lif_hdf5/run.espresso.sh\nq-e-qe-7.6/EPW/examples/lif_hdf5/setup.sh\nq-e-qe-7.6/EPW/examples/mgb2/\nq-e-qe-7.6/EPW/examples/mgb2/epw/\nq-e-qe-7.6/EPW/examples/mgb2/epw/epw.in\nq-e-qe-7.6/EPW/examples/mgb2/epw/nscf.in\nq-e-qe-7.6/EPW/examples/mgb2/epw/scf.in\nq-e-qe-7.6/EPW/examples/mgb2/phonons/\nq-e-qe-7.6/EPW/examples/mgb2/phonons/ph.in\nq-e-qe-7.6/EPW/examples/mgb2/phonons/pp.py\nq-e-qe-7.6/EPW/examples/mgb2/phonons/scf.in\nq-e-qe-7.6/EPW/examples/mgb2/pp/\nq-e-qe-7.6/EPW/examples/mgb2/pp/B.pz-vbc.UPF\nq-e-qe-7.6/EPW/examples/mgb2/pp/Mg.pz-n-vbc.UPF\nq-e-qe-7.6/EPW/examples/pb/\nq-e-qe-7.6/EPW/examples/pb/pp/\nq-e-qe-7.6/EPW/examples/pb/pp/pb_s.UPF\nq-e-qe-7.6/EPW/examples/pb/wSOC/\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/epw.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/nscf.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/epw/scf.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/ph.in\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/pp.py\nq-e-qe-7.6/EPW/examples/pb/wSOC/phonons/scf.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/epw.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/nscf.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/epw/scf.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/ph.in\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/pp.py\nq-e-qe-7.6/EPW/examples/pb/woSOC/phonons/scf.in\nq-e-qe-7.6/EPW/examples/sic/\nq-e-qe-7.6/EPW/examples/sic/epw/\nq-e-qe-7.6/EPW/examples/sic/epw/epw.in\nq-e-qe-7.6/EPW/examples/sic/epw/meshes/\nq-e-qe-7.6/EPW/examples/sic/epw/meshes/10.dat\nq-e-qe-7.6/EPW/examples/sic/epw/nscf.in\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.H\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.P\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.dynmat\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.epmat_wanep\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/decay.epwane\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/epw.out\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/nscf.out\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/scf.out\nq-e-qe-7.6/EPW/examples/sic/epw/out.ref/sic.wout\nq-e-qe-7.6/EPW/examples/sic/epw/scf.in\nq-e-qe-7.6/EPW/examples/sic/phonons/\nq-e-qe-7.6/EPW/examples/sic/phonons/out.ref/\nq-e-qe-7.6/EPW/examples/sic/phonons/out.ref/scf.out\nq-e-qe-7.6/EPW/examples/sic/phonons/ph.in\nq-e-qe-7.6/EPW/examples/sic/phonons/pp.py\nq-e-qe-7.6/EPW/examples/sic/phonons/scf.in\nq-e-qe-7.6/EPW/examples/sic/pp/\nq-e-qe-7.6/EPW/examples/sic/pp/C.UPF\nq-e-qe-7.6/EPW/examples/sic/pp/Si.pz-vbc.UPF\nq-e-qe-7.6/EPW/irobjs/\nq-e-qe-7.6/EPW/irobjs/Makefile\nq-e-qe-7.6/EPW/irobjs/README.md\nq-e-qe-7.6/EPW/irobjs/ir_nlambda5_ndigit6.dat\nq-e-qe-7.6/EPW/src/\nq-e-qe-7.6/EPW/src/Makefile\nq-e-qe-7.6/EPW/src/bloch2wannier.f90\nq-e-qe-7.6/EPW/src/close.f90\nq-e-qe-7.6/EPW/src/cumulant.f90\nq-e-qe-7.6/EPW/src/dvqhub.f90\nq-e-qe-7.6/EPW/src/dvqpsi.f90\nq-e-qe-7.6/EPW/src/ep_coarse.f90\nq-e-qe-7.6/EPW/src/ep_coarse_unfolding.f90\nq-e-qe-7.6/EPW/src/ep_constants.f90\nq-e-qe-7.6/EPW/src/epw.f90\nq-e-qe-7.6/EPW/src/exphonon.f90\nq-e-qe-7.6/EPW/src/expolaron.f90\nq-e-qe-7.6/EPW/src/global_setups.f90\nq-e-qe-7.6/EPW/src/global_var.f90\nq-e-qe-7.6/EPW/src/indabs.f90\nq-e-qe-7.6/EPW/src/init.f90\nq-e-qe-7.6/EPW/src/input.f90\nq-e-qe-7.6/EPW/src/io/\nq-e-qe-7.6/EPW/src/io/change.sh\nq-e-qe-7.6/EPW/src/io/io.f90\nq-e-qe-7.6/EPW/src/io/io_ahc.f90\nq-e-qe-7.6/EPW/src/io/io_indabs.f90\nq-e-qe-7.6/EPW/src/io/io_selfen.f90\nq-e-qe-7.6/EPW/src/io/io_sparse_ir.f90\nq-e-qe-7.6/EPW/src/io/io_supercond.f90\nq-e-qe-7.6/EPW/src/io/io_transport.f90\nq-e-qe-7.6/EPW/src/io/io_var.f90\nq-e-qe-7.6/EPW/src/longrange.f90\nq-e-qe-7.6/EPW/src/onemkl_wrappers.f90\nq-e-qe-7.6/EPW/src/phph.f90\nq-e-qe-7.6/EPW/src/polaron.f90\nq-e-qe-7.6/EPW/src/printing.f90\nq-e-qe-7.6/EPW/src/pw2wan.f90\nq-e-qe-7.6/EPW/src/qdabs.f90\nq-e-qe-7.6/EPW/src/qe_wrappers.f90\nq-e-qe-7.6/EPW/src/readin.f90\nq-e-qe-7.6/EPW/src/selfen.f90\nq-e-qe-7.6/EPW/src/setups.f90\nq-e-qe-7.6/EPW/src/spectral.f90\nq-e-qe-7.6/EPW/src/stop.f90\nq-e-qe-7.6/EPW/src/summaries.f90\nq-e-qe-7.6/EPW/src/supercond.f90\nq-e-qe-7.6/EPW/src/supercond_aniso.f90\nq-e-qe-7.6/EPW/src/supercond_common.f90\nq-e-qe-7.6/EPW/src/supercond_coul.f90\nq-e-qe-7.6/EPW/src/supercond_driver.f90\nq-e-qe-7.6/EPW/src/supercond_iso.f90\nq-e-qe-7.6/EPW/src/supercond_vertex.f90\nq-e-qe-7.6/EPW/src/tdbe_common.f90\nq-e-qe-7.6/EPW/src/tdbe_driver.f90\nq-e-qe-7.6/EPW/src/tdbe_mod.f90\nq-e-qe-7.6/EPW/src/transport.f90\nq-e-qe-7.6/EPW/src/transport_legacy.f90\nq-e-qe-7.6/EPW/src/transport_mag.f90\nq-e-qe-7.6/EPW/src/use_wannier.f90\nq-e-qe-7.6/EPW/src/utilities/\nq-e-qe-7.6/EPW/src/utilities/bcast_input.f90\nq-e-qe-7.6/EPW/src/utilities/bzgrid.f90\nq-e-qe-7.6/EPW/src/utilities/change.sh\nq-e-qe-7.6/EPW/src/utilities/check_deps.sh\nq-e-qe-7.6/EPW/src/utilities/clean_unused_modules.py\nq-e-qe-7.6/EPW/src/utilities/clean_unused_variables.py\nq-e-qe-7.6/EPW/src/utilities/kfold.f90\nq-e-qe-7.6/EPW/src/utilities/kgen.f90\nq-e-qe-7.6/EPW/src/utilities/low_lvl.f90\nq-e-qe-7.6/EPW/src/utilities/nscf2supercond.f90\nq-e-qe-7.6/EPW/src/utilities/parallelism.f90\nq-e-qe-7.6/EPW/src/utilities/screening.f90\nq-e-qe-7.6/EPW/src/utilities/sparse_ir.f90\nq-e-qe-7.6/EPW/src/utilities/symmetry.f90\nq-e-qe-7.6/EPW/src/utilities/utilities.f90\nq-e-qe-7.6/EPW/src/wann_common.f90\nq-e-qe-7.6/EPW/src/wannier.f90\nq-e-qe-7.6/EPW/src/wannier2bloch.f90\nq-e-qe-7.6/EPW/src/wannier2bloch_opt.f90\nq-e-qe-7.6/EPW/src/wannierization.f90\nq-e-qe-7.6/EPW/src/wfpt.f90\nq-e-qe-7.6/EPW/src/wigner.f90\nq-e-qe-7.6/FFTXlib/\nq-e-qe-7.6/FFTXlib/CMakeLists.txt\nq-e-qe-7.6/FFTXlib/Makefile\nq-e-qe-7.6/FFTXlib/README.md\nq-e-qe-7.6/FFTXlib/examples/\nq-e-qe-7.6/FFTXlib/examples/reference/\nq-e-qe-7.6/FFTXlib/examples/reference/fft_test0.out\nq-e-qe-7.6/FFTXlib/examples/run_example\nq-e-qe-7.6/FFTXlib/src/\nq-e-qe-7.6/FFTXlib/src/CMakeLists.txt\nq-e-qe-7.6/FFTXlib/src/Makefile\nq-e-qe-7.6/FFTXlib/src/fft_buffers.f90\nq-e-qe-7.6/FFTXlib/src/fft_error.f90\nq-e-qe-7.6/FFTXlib/src/fft_fwinv.f90\nq-e-qe-7.6/FFTXlib/src/fft_ggen.f90\nq-e-qe-7.6/FFTXlib/src/fft_helper_subroutines.f90\nq-e-qe-7.6/FFTXlib/src/fft_interfaces.f90\nq-e-qe-7.6/FFTXlib/src/fft_interpolate.f90\nq-e-qe-7.6/FFTXlib/src/fft_parallel.f90\nq-e-qe-7.6/FFTXlib/src/fft_parallel_2d.f90\nq-e-qe-7.6/FFTXlib/src/fft_param.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.DFTI.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.ESSL.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.FFTW.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.FFTW3.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.SX6.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.cuFFT.f90\nq-e-qe-7.6/FFTXlib/src/fft_scalar.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter_2d.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter_2d_gpu.f90\nq-e-qe-7.6/FFTXlib/src/fft_scatter_gpu.f90\nq-e-qe-7.6/FFTXlib/src/fft_smallbox.f90\nq-e-qe-7.6/FFTXlib/src/fft_smallbox_type.f90\nq-e-qe-7.6/FFTXlib/src/fft_stick.c\nq-e-qe-7.6/FFTXlib/src/fft_support.f90\nq-e-qe-7.6/FFTXlib/src/fft_types.f90\nq-e-qe-7.6/FFTXlib/src/fftw.c\nq-e-qe-7.6/FFTXlib/src/fftw.h\nq-e-qe-7.6/FFTXlib/src/fftw_dp.c\nq-e-qe-7.6/FFTXlib/src/fftw_dp.h\nq-e-qe-7.6/FFTXlib/src/fftw_interfaces.f90\nq-e-qe-7.6/FFTXlib/src/fftw_sp.c\nq-e-qe-7.6/FFTXlib/src/fftw_sp.h\nq-e-qe-7.6/FFTXlib/src/konst.h\nq-e-qe-7.6/FFTXlib/src/scatter_mod.f90\nq-e-qe-7.6/FFTXlib/src/stick_base.f90\nq-e-qe-7.6/FFTXlib/src/tg_gather.f90\nq-e-qe-7.6/FFTXlib/tests/\nq-e-qe-7.6/FFTXlib/tests/CMakeLists.txt\nq-e-qe-7.6/FFTXlib/tests/Makefile\nq-e-qe-7.6/FFTXlib/tests/fft_test.f90\nq-e-qe-7.6/FFTXlib/tests/gen_test_params.py\nq-e-qe-7.6/FFTXlib/tests/recips.f90\nq-e-qe-7.6/FFTXlib/tests/sort.f90\nq-e-qe-7.6/FFTXlib/tests/test_fft_scalar_gpu.f90\nq-e-qe-7.6/FFTXlib/tests/test_fft_scatter_mod_gpu.f90\nq-e-qe-7.6/FFTXlib/tests/test_fwinv_gpu.f90\nq-e-qe-7.6/FFTXlib/tests/tester.f90\nq-e-qe-7.6/FFTXlib/tests/utils.f90\nq-e-qe-7.6/GUI/\nq-e-qe-7.6/GUI/CMakeLists.txt\nq-e-qe-7.6/GUI/Guib/\nq-e-qe-7.6/GUI/Guib/AUTHORS\nq-e-qe-7.6/GUI/Guib/BUGS\nq-e-qe-7.6/GUI/Guib/COPYING\nq-e-qe-7.6/GUI/Guib/COPYRIGHT\nq-e-qe-7.6/GUI/Guib/ChangeLog\nq-e-qe-7.6/GUI/Guib/INSTALL\nq-e-qe-7.6/GUI/Guib/Makefile\nq-e-qe-7.6/GUI/Guib/NEWS\nq-e-qe-7.6/GUI/Guib/README\nq-e-qe-7.6/GUI/Guib/THANKS\nq-e-qe-7.6/GUI/Guib/TODO\nq-e-qe-7.6/GUI/Guib/VERSION\nq-e-qe-7.6/GUI/Guib/doc/\nq-e-qe-7.6/GUI/Guib/doc/Makefile\nq-e-qe-7.6/GUI/Guib/doc/diagrams/\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-new.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-new.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-open.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/GUI-open.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/Guib.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/Guib.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/Makefile\nq-e-qe-7.6/GUI/Guib/doc/diagrams/PWgui.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/PWgui.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/myGUI.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/myGUI.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/myGUI.tcl\nq-e-qe-7.6/GUI/Guib/doc/diagrams/parsing.dia\nq-e-qe-7.6/GUI/Guib/doc/diagrams/parsing.png\nq-e-qe-7.6/GUI/Guib/doc/diagrams/topng.sh\nq-e-qe-7.6/GUI/Guib/doc/robodoc.rc\nq-e-qe-7.6/GUI/Guib/doc/usage.tex\nq-e-qe-7.6/GUI/Guib/examples/\nq-e-qe-7.6/GUI/Guib/examples/README\nq-e-qe-7.6/GUI/Guib/examples/dimension.inp\nq-e-qe-7.6/GUI/Guib/examples/dimension.tcl\nq-e-qe-7.6/GUI/Guib/examples/kpoints.inp\nq-e-qe-7.6/GUI/Guib/examples/kpoints.tcl\nq-e-qe-7.6/GUI/Guib/examples/pages.inp\nq-e-qe-7.6/GUI/Guib/examples/pages.tcl\nq-e-qe-7.6/GUI/Guib/examples/run.sh\nq-e-qe-7.6/GUI/Guib/examples/simpleSim.inp\nq-e-qe-7.6/GUI/Guib/examples/simpleSim.tcl\nq-e-qe-7.6/GUI/Guib/examples/two_pages.tcl\nq-e-qe-7.6/GUI/Guib/examples/validate.inp\nq-e-qe-7.6/GUI/Guib/examples/validate.tcl\nq-e-qe-7.6/GUI/Guib/external/\nq-e-qe-7.6/GUI/Guib/external/lib/\nq-e-qe-7.6/GUI/Guib/external/lib/cmdline/\nq-e-qe-7.6/GUI/Guib/external/lib/cmdline/cmdline.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/cmdline/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/fileutil/\nq-e-qe-7.6/GUI/Guib/external/lib/fileutil/fileutil.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/fileutil/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/external/lib/license.terms\nq-e-qe-7.6/GUI/Guib/external/lib/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/guib\nq-e-qe-7.6/GUI/Guib/guib.bat\nq-e-qe-7.6/GUI/Guib/guib.tcl\nq-e-qe-7.6/GUI/Guib/guib.theme\nq-e-qe-7.6/GUI/Guib/header.tcl\nq-e-qe-7.6/GUI/Guib/images/\nq-e-qe-7.6/GUI/Guib/images/exit2.gif\nq-e-qe-7.6/GUI/Guib/images/fileclose2.gif\nq-e-qe-7.6/GUI/Guib/images/filenew2.gif\nq-e-qe-7.6/GUI/Guib/images/fileopen2.gif\nq-e-qe-7.6/GUI/Guib/images/filesave2.gif\nq-e-qe-7.6/GUI/Guib/images/filesaveas2.gif\nq-e-qe-7.6/GUI/Guib/images/icons.license\nq-e-qe-7.6/GUI/Guib/init.tcl\nq-e-qe-7.6/GUI/Guib/lib/\nq-e-qe-7.6/GUI/Guib/lib/Makefile\nq-e-qe-7.6/GUI/Guib/lib/aindex\nq-e-qe-7.6/GUI/Guib/lib/header.tcl\nq-e-qe-7.6/GUI/Guib/lib/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/lib/tclIndex\nq-e-qe-7.6/GUI/Guib/lib/tclUtils.tcl\nq-e-qe-7.6/GUI/Guib/lib/tkUtils.tcl\nq-e-qe-7.6/GUI/Guib/pkgIndex.tcl\nq-e-qe-7.6/GUI/Guib/src/\nq-e-qe-7.6/GUI/Guib/src/Makefile\nq-e-qe-7.6/GUI/Guib/src/aindex\nq-e-qe-7.6/GUI/Guib/src/build.itcl\nq-e-qe-7.6/GUI/Guib/src/dialogshell.itcl\nq-e-qe-7.6/GUI/Guib/src/fnml.tcl\nq-e-qe-7.6/GUI/Guib/src/gui.itcl\nq-e-qe-7.6/GUI/Guib/src/guib-keywords-def.tcl\nq-e-qe-7.6/GUI/Guib/src/guib.itcl\nq-e-qe-7.6/GUI/Guib/src/guibKeywords.itcl\nq-e-qe-7.6/GUI/Guib/src/guibUtils.itcl\nq-e-qe-7.6/GUI/Guib/src/help.itcl\nq-e-qe-7.6/GUI/Guib/src/keywidgets.itcl\nq-e-qe-7.6/GUI/Guib/src/keywordObj.itcl\nq-e-qe-7.6/GUI/Guib/src/moduleObj.itcl\nq-e-qe-7.6/GUI/Guib/src/open.itcl\nq-e-qe-7.6/GUI/Guib/src/optionmenuhelp.itcl\nq-e-qe-7.6/GUI/Guib/src/radioboxhelp.itcl\nq-e-qe-7.6/GUI/Guib/src/save.itcl\nq-e-qe-7.6/GUI/Guib/src/simpleGui.itcl\nq-e-qe-7.6/GUI/Guib/src/spininthelp.itcl\nq-e-qe-7.6/GUI/Guib/src/store.itcl\nq-e-qe-7.6/GUI/Guib/src/table.itcl\nq-e-qe-7.6/GUI/Guib/src/tclIndex\nq-e-qe-7.6/GUI/Guib/src/text.itcl\nq-e-qe-7.6/GUI/Guib/src/validate.itcl\nq-e-qe-7.6/GUI/Guib/src/widgets.itcl\nq-e-qe-7.6/GUI/Guib/sys_utils/\nq-e-qe-7.6/GUI/Guib/sys_utils/mgt.tabs\nq-e-qe-7.6/GUI/Guib/sys_utils/repack.sh\nq-e-qe-7.6/GUI/Makefile\nq-e-qe-7.6/GUI/PWgui/\nq-e-qe-7.6/GUI/PWgui/AUTHORS\nq-e-qe-7.6/GUI/PWgui/BUGS\nq-e-qe-7.6/GUI/PWgui/COPYING\nq-e-qe-7.6/GUI/PWgui/COPYRIGHT\nq-e-qe-7.6/GUI/PWgui/ChangeLog\nq-e-qe-7.6/GUI/PWgui/INSTALL\nq-e-qe-7.6/GUI/PWgui/INSTALL.repository\nq-e-qe-7.6/GUI/PWgui/Makefile\nq-e-qe-7.6/GUI/PWgui/NEWS\nq-e-qe-7.6/GUI/PWgui/README\nq-e-qe-7.6/GUI/PWgui/README.developer\nq-e-qe-7.6/GUI/PWgui/THANKS\nq-e-qe-7.6/GUI/PWgui/TODO\nq-e-qe-7.6/GUI/PWgui/VERSION\nq-e-qe-7.6/GUI/PWgui/doc/\nq-e-qe-7.6/GUI/PWgui/doc/Makefile\nq-e-qe-7.6/GUI/PWgui/doc/htmlise.sh\nq-e-qe-7.6/GUI/PWgui/examples/\nq-e-qe-7.6/GUI/PWgui/examples/atomic/\nq-e-qe-7.6/GUI/PWgui/examples/atomic/pt.all_electron.in\nq-e-qe-7.6/GUI/PWgui/examples/atomic/pt.pseudo_gen.in\nq-e-qe-7.6/GUI/PWgui/examples/atomic/rh.pseudo_test.in\nq-e-qe-7.6/GUI/PWgui/examples/d3/\nq-e-qe-7.6/GUI/PWgui/examples/d3/sample.d3.inp\nq-e-qe-7.6/GUI/PWgui/examples/neb.dat/\nq-e-qe-7.6/GUI/PWgui/examples/neb.dat/neb.dat\nq-e-qe-7.6/GUI/PWgui/examples/ph/\nq-e-qe-7.6/GUI/PWgui/examples/ph/sample.ph.inp\nq-e-qe-7.6/GUI/PWgui/examples/pp/\nq-e-qe-7.6/GUI/PWgui/examples/pp/psi2-noncolin.pp.in\nq-e-qe-7.6/GUI/PWgui/examples/pp/psi2-v2.pp.inp\nq-e-qe-7.6/GUI/PWgui/examples/pp/psi2.pp.inp\nq-e-qe-7.6/GUI/PWgui/examples/projwfc/\nq-e-qe-7.6/GUI/PWgui/examples/projwfc/sample.pr.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/\nq-e-qe-7.6/GUI/PWgui/examples/pw/Si_band.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/Si_scf.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/abc.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/addit-k-points.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/additional_k_points\nq-e-qe-7.6/GUI/PWgui/examples/pw/al.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/al.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/atomic_positions\nq-e-qe-7.6/GUI/PWgui/examples/pw/cu.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/cu.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/hubbard+occup.pw.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/hubbard.pw.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/k_points\nq-e-qe-7.6/GUI/PWgui/examples/pw/ni.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/ni.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/occup+hubbard.pw.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/occupations.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/sample.pw.inp\nq-e-qe-7.6/GUI/PWgui/examples/pw/si.band.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/si.scf.in\nq-e-qe-7.6/GUI/PWgui/examples/pw/vdw_corr.in\nq-e-qe-7.6/GUI/PWgui/external/\nq-e-qe-7.6/GUI/PWgui/external/lib/\nq-e-qe-7.6/GUI/PWgui/external/lib/Makefile\nq-e-qe-7.6/GUI/PWgui/external/lib/license.terms\nq-e-qe-7.6/GUI/PWgui/external/src/\nq-e-qe-7.6/GUI/PWgui/external/src/Makefile\nq-e-qe-7.6/GUI/PWgui/external/src/license.terms\nq-e-qe-7.6/GUI/PWgui/external/src/tkAppInit.c\nq-e-qe-7.6/GUI/PWgui/header.tcl\nq-e-qe-7.6/GUI/PWgui/images/\nq-e-qe-7.6/GUI/PWgui/images/license.terms\nq-e-qe-7.6/GUI/PWgui/images/pwgui-logo.gif\nq-e-qe-7.6/GUI/PWgui/images/pwgui-logo.xcf.bz2\nq-e-qe-7.6/GUI/PWgui/images/pwscf-logo.gif\nq-e-qe-7.6/GUI/PWgui/init.tcl\nq-e-qe-7.6/GUI/PWgui/lib/\nq-e-qe-7.6/GUI/PWgui/lib/.dont-delete\nq-e-qe-7.6/GUI/PWgui/make.usage\nq-e-qe-7.6/GUI/PWgui/modules/\nq-e-qe-7.6/GUI/PWgui/modules/atomic/\nq-e-qe-7.6/GUI/PWgui/modules/atomic/atomic-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/atomic/atomic-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/atomic/atomic.tcl\nq-e-qe-7.6/GUI/PWgui/modules/atomic/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/\nq-e-qe-7.6/GUI/PWgui/modules/bands/bands-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/bands-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/bands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/bands/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/\nq-e-qe-7.6/GUI/PWgui/modules/d3/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/d3-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/d3-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/d3/d3.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/\nq-e-qe-7.6/GUI/PWgui/modules/dos/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/dos-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/dos-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/dos/dos.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/\nq-e-qe-7.6/GUI/PWgui/modules/hp/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/hp-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/hp-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/hp/hp.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/\nq-e-qe-7.6/GUI/PWgui/modules/neb/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/neb-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/neb-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/neb/neb.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/\nq-e-qe-7.6/GUI/PWgui/modules/ph/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/ph-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/ph-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/ph/ph.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/\nq-e-qe-7.6/GUI/PWgui/modules/pp/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/pp-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/pp-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pp/pp.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/projwfc-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/projwfc-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/projwfc/projwfc.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/\nq-e-qe-7.6/GUI/PWgui/modules/pw/commands.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/pw-event.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/pw-help.tcl\nq-e-qe-7.6/GUI/PWgui/modules/pw/pw.tcl\nq-e-qe-7.6/GUI/PWgui/pwgui\nq-e-qe-7.6/GUI/PWgui/pwgui.bat\nq-e-qe-7.6/GUI/PWgui/pwgui.settings\nq-e-qe-7.6/GUI/PWgui/pwgui.tcl\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/MakeDir.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/Makefile\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/README\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/darwin-ppc.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/linux-x86.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/linux-x86_64.sh\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/make.darwin\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/make.linux\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/make.win32\nq-e-qe-7.6/GUI/PWgui/pwgui_vfs/win32.sh\nq-e-qe-7.6/GUI/PWgui/src/\nq-e-qe-7.6/GUI/PWgui/src/Makefile\nq-e-qe-7.6/GUI/PWgui/src/about.html\nq-e-qe-7.6/GUI/PWgui/src/aindex\nq-e-qe-7.6/GUI/PWgui/src/auxil.itcl\nq-e-qe-7.6/GUI/PWgui/src/edit.itcl\nq-e-qe-7.6/GUI/PWgui/src/init.itcl\nq-e-qe-7.6/GUI/PWgui/src/menustate.itcl\nq-e-qe-7.6/GUI/PWgui/src/modutil.itcl\nq-e-qe-7.6/GUI/PWgui/src/pwscf.itcl\nq-e-qe-7.6/GUI/PWgui/src/pwscf.theme\nq-e-qe-7.6/GUI/PWgui/src/run.itcl\nq-e-qe-7.6/GUI/PWgui/src/settings.itcl\nq-e-qe-7.6/GUI/PWgui/src/tclIndex\nq-e-qe-7.6/GUI/PWgui/src/view.itcl\nq-e-qe-7.6/GUI/PWgui/sys_utils/\nq-e-qe-7.6/GUI/PWgui/sys_utils/bin.sh\nq-e-qe-7.6/GUI/PWgui/sys_utils/make.guib\nq-e-qe-7.6/GUI/PWgui/sys_utils/publish.sh\nq-e-qe-7.6/GUI/PWgui/sys_utils/repack.sh\nq-e-qe-7.6/GUI/PWgui/sys_utils/starkit.sh\nq-e-qe-7.6/GUI/PWgui/tests/\nq-e-qe-7.6/GUI/PWgui/tests/run-tests.sh\nq-e-qe-7.6/GUI/QE-modes/\nq-e-qe-7.6/GUI/QE-modes/Doc/\nq-e-qe-7.6/GUI/QE-modes/Doc/Makefile\nq-e-qe-7.6/GUI/QE-modes/Doc/highlight.png\nq-e-qe-7.6/GUI/QE-modes/Doc/insert-template.png\nq-e-qe-7.6/GUI/QE-modes/Doc/user_guide.pdf\nq-e-qe-7.6/GUI/QE-modes/Doc/user_guide.tex\nq-e-qe-7.6/GUI/QE-modes/Makefile\nq-e-qe-7.6/GUI/QE-modes/README\nq-e-qe-7.6/GUI/QE-modes/README.repository\nq-e-qe-7.6/GUI/QE-modes/THANKS\nq-e-qe-7.6/GUI/QE-modes/install.sh\nq-e-qe-7.6/GUI/QE-modes/qe-modes.emacs\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/README\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/autoload-specific.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/bands.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/card-noflags.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/card.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/cp.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/dos.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/dynmat.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/header.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/insert-template.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/ld1.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/namelist.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/neb.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/ph.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/pp.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/projwfc.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/pw.in\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/pwtk-mode.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-all-modes.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-all-modes.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-funcs.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-mode.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/qe-modes.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/stringvar.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/supercard-open.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/supercard.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes.templates/var.el.tcl\nq-e-qe-7.6/GUI/QE-modes/qe-modes/\nq-e-qe-7.6/GUI/QE-modes/qe-modes/cp-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/ld1-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/neb-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/ph-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/pp-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/pw-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/pwtk-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/qe-funcs.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/qe-mode.el\nq-e-qe-7.6/GUI/QE-modes/qe-modes/qe-modes.el\nq-e-qe-7.6/GUI/README\nq-e-qe-7.6/GWW/\nq-e-qe-7.6/GWW/CMakeLists.txt\nq-e-qe-7.6/GWW/Makefile\nq-e-qe-7.6/GWW/bse/\nq-e-qe-7.6/GWW/bse/Makefile\nq-e-qe-7.6/GWW/bse/absorption.f90\nq-e-qe-7.6/GWW/bse/bse_basic_structure.f90\nq-e-qe-7.6/GWW/bse/bse_main.f90\nq-e-qe-7.6/GWW/bse/bse_wannier.f90\nq-e-qe-7.6/GWW/bse/cgsolve.f90\nq-e-qe-7.6/GWW/bse/check_basis.f90\nq-e-qe-7.6/GWW/bse/conj_grad_stuff.f90\nq-e-qe-7.6/GWW/bse/conjgrad.f90\nq-e-qe-7.6/GWW/bse/contract_w_exc.f90\nq-e-qe-7.6/GWW/bse/diago_exc.f90\nq-e-qe-7.6/GWW/bse/direct_v_exc.f90\nq-e-qe-7.6/GWW/bse/direct_w_exc.f90\nq-e-qe-7.6/GWW/bse/direct_www.f90\nq-e-qe-7.6/GWW/bse/dvpsi_bse.f90\nq-e-qe-7.6/GWW/bse/exc_h_a.f90\nq-e-qe-7.6/GWW/bse/exchange_exc.f90\nq-e-qe-7.6/GWW/bse/exciton.f90\nq-e-qe-7.6/GWW/bse/find_eig.f90\nq-e-qe-7.6/GWW/bse/h_h.f90\nq-e-qe-7.6/GWW/bse/lanczos.f90\nq-e-qe-7.6/GWW/bse/openfil_bse.f90\nq-e-qe-7.6/GWW/bse/plot_excwfn.f90\nq-e-qe-7.6/GWW/bse/print_bse.f90\nq-e-qe-7.6/GWW/bse/print_spectrum.f90\nq-e-qe-7.6/GWW/bse/qpcorrections.f90\nq-e-qe-7.6/GWW/bse/qpe_exc.f90\nq-e-qe-7.6/GWW/bse/read_export.f90\nq-e-qe-7.6/GWW/bse/rotate_wannier.f90\nq-e-qe-7.6/GWW/bse/sdescent.f90\nq-e-qe-7.6/GWW/bse/spectrum.f90\nq-e-qe-7.6/GWW/bse/start_bse.f90\nq-e-qe-7.6/GWW/bse/tmp.f90\nq-e-qe-7.6/GWW/bse/transitions.f90\nq-e-qe-7.6/GWW/bse/tspace.f90\nq-e-qe-7.6/GWW/bse/write_wannier_matrix.f90\nq-e-qe-7.6/GWW/doc/\nq-e-qe-7.6/GWW/doc/README\nq-e-qe-7.6/GWW/doc/make.sys_SCALAPACK\nq-e-qe-7.6/GWW/examples/\nq-e-qe-7.6/GWW/examples/README\nq-e-qe-7.6/GWW/examples/example01/\nq-e-qe-7.6/GWW/examples/example01/methane_gww.in\nq-e-qe-7.6/GWW/examples/example01/methane_gww_steps.in\nq-e-qe-7.6/GWW/examples/example01/methane_pw4gww.in\nq-e-qe-7.6/GWW/examples/example01/methane_pw4gww_basis.in\nq-e-qe-7.6/GWW/examples/example01/methane_pw4gww_steps.in\nq-e-qe-7.6/GWW/examples/example01/methane_scf.in\nq-e-qe-7.6/GWW/examples/example01/methane_scf_25.in\nq-e-qe-7.6/GWW/examples/example01/methane_scf_35.in\nq-e-qe-7.6/GWW/examples/example01/reference/\nq-e-qe-7.6/GWW/examples/example01/reference/methane_gww.out\nq-e-qe-7.6/GWW/examples/example01/reference/methane_pw4gww.out\nq-e-qe-7.6/GWW/examples/example01/reference/methane_scf.out\nq-e-qe-7.6/GWW/examples/example01/run_example\nq-e-qe-7.6/GWW/examples/example02/\nq-e-qe-7.6/GWW/examples/example02/reference/\nq-e-qe-7.6/GWW/examples/example02/reference/si_gww.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_head.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_nscf.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_pw4gww.out\nq-e-qe-7.6/GWW/examples/example02/reference/si_scf_k.out\nq-e-qe-7.6/GWW/examples/example02/run_example\nq-e-qe-7.6/GWW/examples/example02/si_gww.in\nq-e-qe-7.6/GWW/examples/example02/si_head.in\nq-e-qe-7.6/GWW/examples/example02/si_nscf.in\nq-e-qe-7.6/GWW/examples/example02/si_pw4gww.in\nq-e-qe-7.6/GWW/examples/example02/si_pw4gww_planewaves.in\nq-e-qe-7.6/GWW/examples/example02/si_scf_k.in\nq-e-qe-7.6/GWW/examples/example03/\nq-e-qe-7.6/GWW/examples/example03/run_example\nq-e-qe-7.6/GWW/examples/example04/\nq-e-qe-7.6/GWW/examples/example04/Ag_ONCV_PBE-1.0.upf\nq-e-qe-7.6/GWW/examples/example04/README\nq-e-qe-7.6/GWW/examples/example04/reference/\nq-e-qe-7.6/GWW/examples/example04/reference/ag.dos_broadening.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eels.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_inter_im.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_inter_re.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_tot_im.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.eps_tot_re.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.jdos.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag.optical_constants.dat\nq-e-qe-7.6/GWW/examples/example04/reference/ag_nscf.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_nscf.out\nq-e-qe-7.6/GWW/examples/example04/reference/ag_scf.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_scf.out\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple.out\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple_ip.in\nq-e-qe-7.6/GWW/examples/example04/reference/ag_simple_ip.out\nq-e-qe-7.6/GWW/examples/example04/reference/pippo.txt\nq-e-qe-7.6/GWW/examples/example04/run_example\nq-e-qe-7.6/GWW/examples/example05/\nq-e-qe-7.6/GWW/examples/example05/reference/\nq-e-qe-7.6/GWW/examples/example05/reference/ab_coeff.dat\nq-e-qe-7.6/GWW/examples/example05/reference/abcoeff_to_eps.in\nq-e-qe-7.6/GWW/examples/example05/reference/abcoeff_to_eps.tmp\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps1x.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps1y.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps1z.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps2x.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps2y.dat\nq-e-qe-7.6/GWW/examples/example05/reference/lanczos.eps2z.dat\nq-e-qe-7.6/GWW/examples/example05/reference/si_gww.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_gww.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_head.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_head.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf_k.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_nscf_k.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_pw4gww.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_pw4gww.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_scf_k.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_scf_k.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple.out\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple_bse.in\nq-e-qe-7.6/GWW/examples/example05/reference/si_simple_bse.out\nq-e-qe-7.6/GWW/examples/example05/run_example\nq-e-qe-7.6/GWW/examples/example06/\nq-e-qe-7.6/GWW/examples/example06/reference/\nq-e-qe-7.6/GWW/examples/example06/reference/silane_bse.out\nq-e-qe-7.6/GWW/examples/example06/reference/silane_pw4gww.out\nq-e-qe-7.6/GWW/examples/example06/reference/silane_scf.out\nq-e-qe-7.6/GWW/examples/example06/run_example\nq-e-qe-7.6/GWW/gww/\nq-e-qe-7.6/GWW/gww/Makefile\nq-e-qe-7.6/GWW/gww/basic_structures.f90\nq-e-qe-7.6/GWW/gww/compact_product.f90\nq-e-qe-7.6/GWW/gww/contour.f90\nq-e-qe-7.6/GWW/gww/create_hf.f90\nq-e-qe-7.6/GWW/gww/create_quasi_particle.f90\nq-e-qe-7.6/GWW/gww/create_quasi_particle_off.f90\nq-e-qe-7.6/GWW/gww/do_contour.f90\nq-e-qe-7.6/GWW/gww/do_polarization_lanczos.f90\nq-e-qe-7.6/GWW/gww/do_self_lanczos.f90\nq-e-qe-7.6/GWW/gww/do_self_lanczos_full.f90\nq-e-qe-7.6/GWW/gww/do_self_lanczos_time.f90\nq-e-qe-7.6/GWW/gww/energies_gww.f90\nq-e-qe-7.6/GWW/gww/expansion.f90\nq-e-qe-7.6/GWW/gww/fft_gw.f90\nq-e-qe-7.6/GWW/gww/fit_multipole.f90\nq-e-qe-7.6/GWW/gww/fit_polynomial.f90\nq-e-qe-7.6/GWW/gww/go_dressed_w.f90\nq-e-qe-7.6/GWW/gww/go_exchange.f90\nq-e-qe-7.6/GWW/gww/go_fft.f90\nq-e-qe-7.6/GWW/gww/go_green.f90\nq-e-qe-7.6/GWW/gww/go_polarization.f90\nq-e-qe-7.6/GWW/gww/green_function.f90\nq-e-qe-7.6/GWW/gww/gv_time.f90\nq-e-qe-7.6/GWW/gww/gww.f90\nq-e-qe-7.6/GWW/gww/gww_fit.f90\nq-e-qe-7.6/GWW/gww/input_gw.f90\nq-e-qe-7.6/GWW/gww/lanczos_polarization.f90\nq-e-qe-7.6/GWW/gww/para_gww.f90\nq-e-qe-7.6/GWW/gww/polarization.f90\nq-e-qe-7.6/GWW/gww/read_data_pw.f90\nq-e-qe-7.6/GWW/gww/remainder.f90\nq-e-qe-7.6/GWW/gww/self_energy.f90\nq-e-qe-7.6/GWW/gww/self_energy_storage.f90\nq-e-qe-7.6/GWW/gww/start_end.f90\nq-e-qe-7.6/GWW/gww/times_gw.f90\nq-e-qe-7.6/GWW/gww/vcprim.f90\nq-e-qe-7.6/GWW/head/\nq-e-qe-7.6/GWW/head/Makefile\nq-e-qe-7.6/GWW/head/bcast_gwl_input.f90\nq-e-qe-7.6/GWW/head/close_gwl.f90\nq-e-qe-7.6/GWW/head/gwl_readin.f90\nq-e-qe-7.6/GWW/head/head.f90\nq-e-qe-7.6/GWW/head/lanczos_k.f90\nq-e-qe-7.6/GWW/head/openfilq_gwl.f90\nq-e-qe-7.6/GWW/head/solve_head.f90\nq-e-qe-7.6/GWW/minpack/\nq-e-qe-7.6/GWW/minpack/Makefile\nq-e-qe-7.6/GWW/minpack/dpmpar.f90\nq-e-qe-7.6/GWW/minpack/enorm.f90\nq-e-qe-7.6/GWW/minpack/fdjac2.f90\nq-e-qe-7.6/GWW/minpack/lmder.f90\nq-e-qe-7.6/GWW/minpack/lmder1.f90\nq-e-qe-7.6/GWW/minpack/lmdif.f90\nq-e-qe-7.6/GWW/minpack/lmdif1.f90\nq-e-qe-7.6/GWW/minpack/lmpar.f90\nq-e-qe-7.6/GWW/minpack/mlagzo.f90\nq-e-qe-7.6/GWW/minpack/mlegzo.f90\nq-e-qe-7.6/GWW/minpack/qrfac.f90\nq-e-qe-7.6/GWW/minpack/qrsolv.f90\nq-e-qe-7.6/GWW/minpack/test.f90\nq-e-qe-7.6/GWW/pw4gww/\nq-e-qe-7.6/GWW/pw4gww/Makefile\nq-e-qe-7.6/GWW/pw4gww/allocate_wannier.f90\nq-e-qe-7.6/GWW/pw4gww/calculate_wing.f90\nq-e-qe-7.6/GWW/pw4gww/cgsolve_all_gamma.f90\nq-e-qe-7.6/GWW/pw4gww/contour_terms.f90\nq-e-qe-7.6/GWW/pw4gww/convergence.f90\nq-e-qe-7.6/GWW/pw4gww/dft_exchange.f90\nq-e-qe-7.6/GWW/pw4gww/diago_cg.f90\nq-e-qe-7.6/GWW/pw4gww/diago_cg_g.f90\nq-e-qe-7.6/GWW/pw4gww/easy_gw.f90\nq-e-qe-7.6/GWW/pw4gww/energies_xc.f90\nq-e-qe-7.6/GWW/pw4gww/exchange_custom.f90\nq-e-qe-7.6/GWW/pw4gww/fake_conduction.f90\nq-e-qe-7.6/GWW/pw4gww/fft_custom.f90\nq-e-qe-7.6/GWW/pw4gww/full.f90\nq-e-qe-7.6/GWW/pw4gww/gww_realus.f90\nq-e-qe-7.6/GWW/pw4gww/hpsi_pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/lanczos_chains.f90\nq-e-qe-7.6/GWW/pw4gww/matrix_wannier_gamma.f90\nq-e-qe-7.6/GWW/pw4gww/mp_wave_parallel.f90\nq-e-qe-7.6/GWW/pw4gww/o_1psi.f90\nq-e-qe-7.6/GWW/pw4gww/o_bands.f90\nq-e-qe-7.6/GWW/pw4gww/o_rinitcgg.f90\nq-e-qe-7.6/GWW/pw4gww/openfil_pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/operator_1_vp.f90\nq-e-qe-7.6/GWW/pw4gww/operator_debug.f90\nq-e-qe-7.6/GWW/pw4gww/optimal.f90\nq-e-qe-7.6/GWW/pw4gww/pola_lanczos.f90\nq-e-qe-7.6/GWW/pw4gww/pola_partial.f90\nq-e-qe-7.6/GWW/pw4gww/produce_wannier_gamma.f90\nq-e-qe-7.6/GWW/pw4gww/pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/rotate_wannier.f90\nq-e-qe-7.6/GWW/pw4gww/self_lanczos.f90\nq-e-qe-7.6/GWW/pw4gww/semicore.f90\nq-e-qe-7.6/GWW/pw4gww/semicore_read.f90\nq-e-qe-7.6/GWW/pw4gww/start_pw4gww.f90\nq-e-qe-7.6/GWW/pw4gww/stop_pp.f90\nq-e-qe-7.6/GWW/pw4gww/v_basis.f90\nq-e-qe-7.6/GWW/pw4gww/wannier.f90\nq-e-qe-7.6/GWW/pw4gww/wannier_bse.f90\nq-e-qe-7.6/GWW/pw4gww/wannier_uterms.f90\nq-e-qe-7.6/GWW/pw4gww/wfc_real.f90\nq-e-qe-7.6/GWW/pw4gww/write_vpot_matrix.f90\nq-e-qe-7.6/GWW/pw4gww/write_wannier_matrix.f90\nq-e-qe-7.6/GWW/simple/\nq-e-qe-7.6/GWW/simple/Makefile\nq-e-qe-7.6/GWW/simple/commutator.f90\nq-e-qe-7.6/GWW/simple/epe.f90\nq-e-qe-7.6/GWW/simple/gk_sort_limit.f90\nq-e-qe-7.6/GWW/simple/input_simple.f90\nq-e-qe-7.6/GWW/simple/khamiltonian.f90\nq-e-qe-7.6/GWW/simple/openfile_simple.f90\nq-e-qe-7.6/GWW/simple/product_basis.f90\nq-e-qe-7.6/GWW/simple/read_export.f90\nq-e-qe-7.6/GWW/simple/simple.f90\nq-e-qe-7.6/GWW/simple/stop_pp.f90\nq-e-qe-7.6/GWW/simple/v_product.f90\nq-e-qe-7.6/GWW/simple/wfc_basis.f90\nq-e-qe-7.6/GWW/simple_bse/\nq-e-qe-7.6/GWW/simple_bse/Makefile\nq-e-qe-7.6/GWW/simple_bse/build_eemat.f90\nq-e-qe-7.6/GWW/simple_bse/derived_object.f90\nq-e-qe-7.6/GWW/simple_bse/diago_exc_cg.f90\nq-e-qe-7.6/GWW/simple_bse/diago_exc_sd.f90\nq-e-qe-7.6/GWW/simple_bse/hamiltonian.f90\nq-e-qe-7.6/GWW/simple_bse/input_simple_exc.f90\nq-e-qe-7.6/GWW/simple_bse/lanczos.f90\nq-e-qe-7.6/GWW/simple_bse/simple_bse.f90\nq-e-qe-7.6/GWW/simple_bse/simple_eigen.f90\nq-e-qe-7.6/GWW/simple_bse/simple_object.f90\nq-e-qe-7.6/GWW/simple_bse/spectrum.f90\nq-e-qe-7.6/GWW/simple_bse/start_end.f90\nq-e-qe-7.6/GWW/simple_ip/\nq-e-qe-7.6/GWW/simple_ip/Makefile\nq-e-qe-7.6/GWW/simple_ip/diagonalization.f90\nq-e-qe-7.6/GWW/simple_ip/dielectric.f90\nq-e-qe-7.6/GWW/simple_ip/input_simple_ip.f90\nq-e-qe-7.6/GWW/simple_ip/interpolation.f90\nq-e-qe-7.6/GWW/simple_ip/simple_ip.f90\nq-e-qe-7.6/GWW/simple_ip/simple_ip_objects.f90\nq-e-qe-7.6/GWW/simple_ip/start_end.f90\nq-e-qe-7.6/GWW/simple_ip/tetra_mod1.f90\nq-e-qe-7.6/GWW/simple_ip/tetra_mod2.f90\nq-e-qe-7.6/GWW/util/\nq-e-qe-7.6/GWW/util/Makefile\nq-e-qe-7.6/GWW/util/abcoeff_to_eps.f90\nq-e-qe-7.6/GWW/util/graph.f90\nq-e-qe-7.6/GWW/util/memory_pw4gww.f90\nq-e-qe-7.6/HP/\nq-e-qe-7.6/HP/CMakeLists.txt\nq-e-qe-7.6/HP/Doc/\nq-e-qe-7.6/HP/Doc/INPUT_HP.def\nq-e-qe-7.6/HP/Doc/Makefile\nq-e-qe-7.6/HP/Doc/README\nq-e-qe-7.6/HP/Makefile\nq-e-qe-7.6/HP/examples/\nq-e-qe-7.6/HP/examples/README\nq-e-qe-7.6/HP/examples/clean_all\nq-e-qe-7.6/HP/examples/example01/\nq-e-qe-7.6/HP/examples/example01/reference/\nq-e-qe-7.6/HP/examples/example01/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example01/reference/LiCoO2.hp.in\nq-e-qe-7.6/HP/examples/example01/reference/LiCoO2.scf.in\nq-e-qe-7.6/HP/examples/example01/run_example\nq-e-qe-7.6/HP/examples/example02/\nq-e-qe-7.6/HP/examples/example02/README\nq-e-qe-7.6/HP/examples/example02/reference/\nq-e-qe-7.6/HP/examples/example02/reference/NiO.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example02/reference/NiO.hp.in\nq-e-qe-7.6/HP/examples/example02/reference/NiO.scf1.in\nq-e-qe-7.6/HP/examples/example02/reference/NiO.scf2.in\nq-e-qe-7.6/HP/examples/example02/run_example1\nq-e-qe-7.6/HP/examples/example02/run_example2\nq-e-qe-7.6/HP/examples/example03/\nq-e-qe-7.6/HP/examples/example03/reference/\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.hp.in\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.scf1.in\nq-e-qe-7.6/HP/examples/example03/reference/CrI3.scf2.in\nq-e-qe-7.6/HP/examples/example03/run_example\nq-e-qe-7.6/HP/examples/example04/\nq-e-qe-7.6/HP/examples/example04/reference/\nq-e-qe-7.6/HP/examples/example04/reference/Ni.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example04/reference/Ni.hp.in\nq-e-qe-7.6/HP/examples/example04/reference/Ni.scf.in\nq-e-qe-7.6/HP/examples/example04/run_example\nq-e-qe-7.6/HP/examples/example05/\nq-e-qe-7.6/HP/examples/example05/reference/\nq-e-qe-7.6/HP/examples/example05/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example05/reference/LiCoO2.hp.in\nq-e-qe-7.6/HP/examples/example05/reference/LiCoO2.scf.in\nq-e-qe-7.6/HP/examples/example05/run_example\nq-e-qe-7.6/HP/examples/example06/\nq-e-qe-7.6/HP/examples/example06/reference/\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.hp.Mn.in\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.hp.Ni.in\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.hp.final.in\nq-e-qe-7.6/HP/examples/example06/reference/Ni2MnGa.scf.in\nq-e-qe-7.6/HP/examples/example06/run_example\nq-e-qe-7.6/HP/examples/example07/\nq-e-qe-7.6/HP/examples/example07/reference/\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step1.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step2.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Mn.step3.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step1.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step2.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.Ni.step3.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.hp.final.in\nq-e-qe-7.6/HP/examples/example07/reference/Ni2MnGa.scf.in\nq-e-qe-7.6/HP/examples/example07/run_example\nq-e-qe-7.6/HP/examples/example08/\nq-e-qe-7.6/HP/examples/example08/reference/\nq-e-qe-7.6/HP/examples/example08/reference/NiO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example08/reference/NiO2.hp.in\nq-e-qe-7.6/HP/examples/example08/reference/NiO2.scf.in\nq-e-qe-7.6/HP/examples/example08/run_example\nq-e-qe-7.6/HP/examples/example09/\nq-e-qe-7.6/HP/examples/example09/reference/\nq-e-qe-7.6/HP/examples/example09/reference/CoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example09/reference/CoO2.hp.in\nq-e-qe-7.6/HP/examples/example09/reference/CoO2.scf.in\nq-e-qe-7.6/HP/examples/example09/run_example\nq-e-qe-7.6/HP/examples/example10/\nq-e-qe-7.6/HP/examples/example10/reference/\nq-e-qe-7.6/HP/examples/example10/reference/HUBBARD.dat\nq-e-qe-7.6/HP/examples/example10/reference/LiCoO2.Hubbard_parameters.dat\nq-e-qe-7.6/HP/examples/example10/reference/LiCoO2.hp.in\nq-e-qe-7.6/HP/examples/example10/reference/LiCoO2.scf.in\nq-e-qe-7.6/HP/examples/example10/run_example\nq-e-qe-7.6/HP/examples/run_all_examples\nq-e-qe-7.6/HP/src/\nq-e-qe-7.6/HP/src/Makefile\nq-e-qe-7.6/HP/src/hp_R_points.f90\nq-e-qe-7.6/HP/src/hp_allocate_q.f90\nq-e-qe-7.6/HP/src/hp_bcast_input.f90\nq-e-qe-7.6/HP/src/hp_calc_chi.f90\nq-e-qe-7.6/HP/src/hp_check_pert.f90\nq-e-qe-7.6/HP/src/hp_check_type.f90\nq-e-qe-7.6/HP/src/hp_clean_q.f90\nq-e-qe-7.6/HP/src/hp_close_q.f90\nq-e-qe-7.6/HP/src/hp_dealloc_1.f90\nq-e-qe-7.6/HP/src/hp_dealloc_2.f90\nq-e-qe-7.6/HP/src/hp_dealloc_q.f90\nq-e-qe-7.6/HP/src/hp_dnsq.f90\nq-e-qe-7.6/HP/src/hp_dnstot_sum_q.f90\nq-e-qe-7.6/HP/src/hp_dvpsi_pert.f90\nq-e-qe-7.6/HP/src/hp_find_inequiv_sites.f90\nq-e-qe-7.6/HP/src/hp_generate_grids.f90\nq-e-qe-7.6/HP/src/hp_init.f90\nq-e-qe-7.6/HP/src/hp_init_q.f90\nq-e-qe-7.6/HP/src/hp_load_q.f90\nq-e-qe-7.6/HP/src/hp_main.f90\nq-e-qe-7.6/HP/src/hp_ns_trace.f90\nq-e-qe-7.6/HP/src/hp_openfil_q.f90\nq-e-qe-7.6/HP/src/hp_postproc.f90\nq-e-qe-7.6/HP/src/hp_prepare_q.f90\nq-e-qe-7.6/HP/src/hp_print_clock.f90\nq-e-qe-7.6/HP/src/hp_psym_dmag.f90\nq-e-qe-7.6/HP/src/hp_psymdvscf.f90\nq-e-qe-7.6/HP/src/hp_q_points.f90\nq-e-qe-7.6/HP/src/hp_read_chi.f90\nq-e-qe-7.6/HP/src/hp_read_dnsq.f90\nq-e-qe-7.6/HP/src/hp_readin.f90\nq-e-qe-7.6/HP/src/hp_rotate_dnsq.f90\nq-e-qe-7.6/HP/src/hp_run_nscf.f90\nq-e-qe-7.6/HP/src/hp_setup_q.f90\nq-e-qe-7.6/HP/src/hp_solve_linear_system.f90\nq-e-qe-7.6/HP/src/hp_stop_smoothly.f90\nq-e-qe-7.6/HP/src/hp_summary.f90\nq-e-qe-7.6/HP/src/hp_summary_q.f90\nq-e-qe-7.6/HP/src/hp_sym_dmag.f90\nq-e-qe-7.6/HP/src/hp_symdnsq.f90\nq-e-qe-7.6/HP/src/hp_symdvscf.f90\nq-e-qe-7.6/HP/src/hp_write_chi.f90\nq-e-qe-7.6/HP/src/hp_write_chi_full.f90\nq-e-qe-7.6/HP/src/hp_write_dnsq.f90\nq-e-qe-7.6/HP/src/hpcom.f90\nq-e-qe-7.6/KCW/\nq-e-qe-7.6/KCW/CMakeLists.txt\nq-e-qe-7.6/KCW/Doc/\nq-e-qe-7.6/KCW/Doc/INPUT_kcw.def\nq-e-qe-7.6/KCW/Doc/Makefile\nq-e-qe-7.6/KCW/Doc/input_xx.xsl\nq-e-qe-7.6/KCW/Makefile\nq-e-qe-7.6/KCW/PP/\nq-e-qe-7.6/KCW/PP/CMakeLists.txt\nq-e-qe-7.6/KCW/PP/Makefile\nq-e-qe-7.6/KCW/PP/bcast_kcw_pp_input.f90\nq-e-qe-7.6/KCW/PP/compute_self_hartree.f90\nq-e-qe-7.6/KCW/PP/input_pp_summary.f90\nq-e-qe-7.6/KCW/PP/interp_r_to_k.f90\nq-e-qe-7.6/KCW/PP/kcw_bands.f90\nq-e-qe-7.6/KCW/PP/kcw_pp_readin.f90\nq-e-qe-7.6/KCW/PP/makedeps.sh\nq-e-qe-7.6/KCW/PP/merge_Umat.f90\nq-e-qe-7.6/KCW/PP/merge_wann.f90\nq-e-qe-7.6/KCW/PP/read_hr.f90\nq-e-qe-7.6/KCW/PP/sh_setup.f90\nq-e-qe-7.6/KCW/PP/ups.f90\nq-e-qe-7.6/KCW/diff_7.2-7.1.txt\nq-e-qe-7.6/KCW/diff_wrt_v7.1.txt\nq-e-qe-7.6/KCW/examples/\nq-e-qe-7.6/KCW/examples/.gitignore\nq-e-qe-7.6/KCW/examples/example01/\nq-e-qe-7.6/KCW/examples/example01/README\nq-e-qe-7.6/KCW/examples/example01/compare.sh\nq-e-qe-7.6/KCW/examples/example01/reference/\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example01/reference/Si.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example01/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example01/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example01/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example01/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example01/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example01/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example01/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example01/run_example\nq-e-qe-7.6/KCW/examples/example01_sym/\nq-e-qe-7.6/KCW/examples/example01_sym/README\nq-e-qe-7.6/KCW/examples/example01_sym/compare.sh\nq-e-qe-7.6/KCW/examples/example01_sym/compare_nosym.sh\nq-e-qe-7.6/KCW/examples/example01_sym/reference/\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example01_sym/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example01_sym/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example01_sym/run_example\nq-e-qe-7.6/KCW/examples/example02/\nq-e-qe-7.6/KCW/examples/example02/README\nq-e-qe-7.6/KCW/examples/example02/compare.sh\nq-e-qe-7.6/KCW/examples/example02/reference/\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example02/reference/h2o.scf.out\nq-e-qe-7.6/KCW/examples/example02/run_example\nq-e-qe-7.6/KCW/examples/example03/\nq-e-qe-7.6/KCW/examples/example03/compare.sh\nq-e-qe-7.6/KCW/examples/example03/reference/\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcwpp_bands.dat\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcwpp_interp.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.kcwpp_sh.out\nq-e-qe-7.6/KCW/examples/example03/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example03/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example03/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example03/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example03/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example03/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example03/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example03/run_example\nq-e-qe-7.6/KCW/examples/example04/\nq-e-qe-7.6/KCW/examples/example04/README\nq-e-qe-7.6/KCW/examples/example04/compare.sh\nq-e-qe-7.6/KCW/examples/example04/reference/\nq-e-qe-7.6/KCW/examples/example04/reference/GaAs.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example04/reference/GaAs.nscf.out\nq-e-qe-7.6/KCW/examples/example04/reference/GaAs.scf.out\nq-e-qe-7.6/KCW/examples/example04/reference/kc.kho\nq-e-qe-7.6/KCW/examples/example04/reference/kc.w2ko\nq-e-qe-7.6/KCW/examples/example04/reference/merge_U.out\nq-e-qe-7.6/KCW/examples/example04/reference/merge_centres.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block2/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference/wann_block3/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference/wann_u.mat\nq-e-qe-7.6/KCW/examples/example04/reference_1block/\nq-e-qe-7.6/KCW/examples/example04/reference_1block/GaAs.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example04/reference_1block/GaAs.nscf.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/GaAs.scf.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/kc.kho\nq-e-qe-7.6/KCW/examples/example04/reference_1block/kc.w2ko\nq-e-qe-7.6/KCW/examples/example04/reference_1block/merge_U.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/merge_centres.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/wann_band.dat\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example04/reference_1block/wann_u.mat\nq-e-qe-7.6/KCW/examples/example04/run_example\nq-e-qe-7.6/KCW/examples/example04/run_example_1block\nq-e-qe-7.6/KCW/examples/example05.1/\nq-e-qe-7.6/KCW/examples/example05.1/README.md\nq-e-qe-7.6/KCW/examples/example05.1/clean_all.sh\nq-e-qe-7.6/KCW/examples/example05.1/compare.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin1/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin2/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/CRASH\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_MAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_SOC_noMAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/CRASH\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_MAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/bands.in\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/bands.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/0_dft/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/.kc.w2ko.swp\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/README.md\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/emp/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/kc.w2ki\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/nscf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/pw2wan.p2wi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/occ/wann.win\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/plot_bands.gnu\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/1_wannier/scf.pwi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/kc.ksi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/2_screening/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/filealpharef.txt\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/kc.khi\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/link_wann.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/3_hamiltonian/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/clean.sh\nq-e-qe-7.6/KCW/examples/example05.1/nspin4_noSOC_noMAG/run.sh\nq-e-qe-7.6/KCW/examples/example05.1/pseudo/\nq-e-qe-7.6/KCW/examples/example05.1/pseudo/Si.upf\nq-e-qe-7.6/KCW/examples/example05.1/pseudo/Si_r.upf\nq-e-qe-7.6/KCW/examples/example05.1/run_all.sh\nq-e-qe-7.6/KCW/examples/example05/\nq-e-qe-7.6/KCW/examples/example05/compare.sh\nq-e-qe-7.6/KCW/examples/example05/reference/\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw-screen.out\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example05/reference/Si.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example05/reference/Si.scf.out\nq-e-qe-7.6/KCW/examples/example05/reference/wann_emp/\nq-e-qe-7.6/KCW/examples/example05/reference/wann_emp/Si_emp.wout\nq-e-qe-7.6/KCW/examples/example05/reference/wann_emp/Si_emp_band.dat\nq-e-qe-7.6/KCW/examples/example05/reference/wann_occ/\nq-e-qe-7.6/KCW/examples/example05/reference/wann_occ/Si.wout\nq-e-qe-7.6/KCW/examples/example05/reference/wann_occ/Si_band.dat\nq-e-qe-7.6/KCW/examples/example05/run_example\nq-e-qe-7.6/KCW/examples/example06/\nq-e-qe-7.6/KCW/examples/example06/README\nq-e-qe-7.6/KCW/examples/example06/compare.sh\nq-e-qe-7.6/KCW/examples/example06/reference/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/cri3.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/file_alpharef.txt\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_U.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_U_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_centre.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/merge_centre_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block1/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block2/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block3/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block4/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block5/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_block6/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_emp_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_emp_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_DOWN/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/cri3.kcw-ham.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/cri3.kcw-wann2kcw.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/cri3.kcw_bands.dat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/file_alpharef.txt\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_U.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_U_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_centre.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/merge_centre_emp.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block1/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block2/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block3/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block4/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/pw2wann.out\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann.wout\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_block5/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_emp_centres.xyz\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_emp_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/SPIN_UP/wann_u.mat\nq-e-qe-7.6/KCW/examples/example06/reference/cri3.scf.out\nq-e-qe-7.6/KCW/examples/example06/run_example\nq-e-qe-7.6/KCW/examples/run_all.sh\nq-e-qe-7.6/KCW/examples/test_io/\nq-e-qe-7.6/KCW/examples/test_io/README\nq-e-qe-7.6/KCW/examples/test_io/example01/\nq-e-qe-7.6/KCW/examples/test_io/example01/compare.sh\nq-e-qe-7.6/KCW/examples/test_io/example01/run_example\nq-e-qe-7.6/KCW/examples/test_io/example02/\nq-e-qe-7.6/KCW/examples/test_io/example02/compare.sh\nq-e-qe-7.6/KCW/examples/test_io/example02/run_example\nq-e-qe-7.6/KCW/examples/test_io/example03/\nq-e-qe-7.6/KCW/examples/test_io/example03/compare.sh\nq-e-qe-7.6/KCW/examples/test_io/example03/run_example\nq-e-qe-7.6/KCW/examples/test_io/run_all.sh\nq-e-qe-7.6/KCW/kcw.md\nq-e-qe-7.6/KCW/src/\nq-e-qe-7.6/KCW/src/CMakeLists.txt\nq-e-qe-7.6/KCW/src/Makefile\nq-e-qe-7.6/KCW/src/alpha_corr.f90\nq-e-qe-7.6/KCW/src/apply_u_matrix.f90\nq-e-qe-7.6/KCW/src/bare_pot.f90\nq-e-qe-7.6/KCW/src/bcast_kcw_input.f90\nq-e-qe-7.6/KCW/src/bcast_wfc.f90\nq-e-qe-7.6/KCW/src/calculate_phase.f90\nq-e-qe-7.6/KCW/src/clean_pw_kcw.f90\nq-e-qe-7.6/KCW/src/close_kcw.f90\nq-e-qe-7.6/KCW/src/compute_map_ikq.f90\nq-e-qe-7.6/KCW/src/compute_map_ikq_single.f90\nq-e-qe-7.6/KCW/src/convert_kpts_names.f90\nq-e-qe-7.6/KCW/src/coulomb.f90\nq-e-qe-7.6/KCW/src/find_IBZ_q.f90\nq-e-qe-7.6/KCW/src/full_ham.f90\nq-e-qe-7.6/KCW/src/group_orbitals.f90\nq-e-qe-7.6/KCW/src/ham_R0_2nd.f90\nq-e-qe-7.6/KCW/src/hamilt.f90\nq-e-qe-7.6/KCW/src/input_summary.f90\nq-e-qe-7.6/KCW/src/interpolation.f90\nq-e-qe-7.6/KCW/src/kcw.f90\nq-e-qe-7.6/KCW/src/kcw_R_points.f90\nq-e-qe-7.6/KCW/src/kcw_allocate_q.f90\nq-e-qe-7.6/KCW/src/kcw_comm.f90\nq-e-qe-7.6/KCW/src/kcw_deallocate_q.f90\nq-e-qe-7.6/KCW/src/kcw_deallocate_symmetry_arrays.f90\nq-e-qe-7.6/KCW/src/kcw_ham.f90\nq-e-qe-7.6/KCW/src/kcw_init_q.f90\nq-e-qe-7.6/KCW/src/kcw_initialize_ph.f90\nq-e-qe-7.6/KCW/src/kcw_io_new.f90\nq-e-qe-7.6/KCW/src/kcw_kpoint_grid.f90\nq-e-qe-7.6/KCW/src/kcw_openfilq.f90\nq-e-qe-7.6/KCW/src/kcw_prepare_q.f90\nq-e-qe-7.6/KCW/src/kcw_q_setup.f90\nq-e-qe-7.6/KCW/src/kcw_read_sym.f90\nq-e-qe-7.6/KCW/src/kcw_readin.f90\nq-e-qe-7.6/KCW/src/kcw_run_nscf.f90\nq-e-qe-7.6/KCW/src/kcw_screen.f90\nq-e-qe-7.6/KCW/src/kcw_setup.f90\nq-e-qe-7.6/KCW/src/kcw_setup_ham.f90\nq-e-qe-7.6/KCW/src/kcw_setup_screen.f90\nq-e-qe-7.6/KCW/src/kcw_write_sym.f90\nq-e-qe-7.6/KCW/src/koopmans_ham.f90\nq-e-qe-7.6/KCW/src/ks_hamiltonian.f90\nq-e-qe-7.6/KCW/src/makedeps.sh\nq-e-qe-7.6/KCW/src/print_clock_kcw.f90\nq-e-qe-7.6/KCW/src/read_alpha.f90\nq-e-qe-7.6/KCW/src/read_qlist_ibz.f90\nq-e-qe-7.6/KCW/src/read_wannier.f90\nq-e-qe-7.6/KCW/src/rho_of_q.f90\nq-e-qe-7.6/KCW/src/rotate_ks.f90\nq-e-qe-7.6/KCW/src/screen_coeff.f90\nq-e-qe-7.6/KCW/src/self_hartree.f90\nq-e-qe-7.6/KCW/src/setup_coulomb.f90\nq-e-qe-7.6/KCW/src/setup_coulomb_exx.f90\nq-e-qe-7.6/KCW/src/solve_linter_koop_mod.f90\nq-e-qe-7.6/KCW/src/structure_factor.f90\nq-e-qe-7.6/KCW/src/wann2kcw.f90\nq-e-qe-7.6/KCW/src/write_hr_to_file.f90\nq-e-qe-7.6/KCW/src/write_qlist_ibz.f90\nq-e-qe-7.6/KS_Solvers/\nq-e-qe-7.6/KS_Solvers/CG/\nq-e-qe-7.6/KS_Solvers/CG/Makefile\nq-e-qe-7.6/KS_Solvers/CG/ccgdiagg.f90\nq-e-qe-7.6/KS_Solvers/CG/rcgdiagg.f90\nq-e-qe-7.6/KS_Solvers/CMakeLists.txt\nq-e-qe-7.6/KS_Solvers/DENSE/\nq-e-qe-7.6/KS_Solvers/DENSE/Makefile\nq-e-qe-7.6/KS_Solvers/DENSE/gram_schmidt_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/gram_schmidt_k.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_HSpsi_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_HSpsi_k.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_driver.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_wfc_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_wfc_k.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_xpsi_gamma.f90\nq-e-qe-7.6/KS_Solvers/DENSE/rotate_xpsi_k.f90\nq-e-qe-7.6/KS_Solvers/Davidson/\nq-e-qe-7.6/KS_Solvers/Davidson/Makefile\nq-e-qe-7.6/KS_Solvers/Davidson/cegterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson/pcegterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson/pregterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson/regterg.f90\nq-e-qe-7.6/KS_Solvers/Davidson_RCI/\nq-e-qe-7.6/KS_Solvers/Davidson_RCI/Makefile\nq-e-qe-7.6/KS_Solvers/Davidson_RCI/david_rci.f90\nq-e-qe-7.6/KS_Solvers/Direct/\nq-e-qe-7.6/KS_Solvers/Direct/Makefile\nq-e-qe-7.6/KS_Solvers/Direct/direct_diag_k.f90\nq-e-qe-7.6/KS_Solvers/Makefile\nq-e-qe-7.6/KS_Solvers/ParO/\nq-e-qe-7.6/KS_Solvers/ParO/Makefile\nq-e-qe-7.6/KS_Solvers/ParO/bpcg_gamma.f90\nq-e-qe-7.6/KS_Solvers/ParO/bpcg_k.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_gamma.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_gamma_new.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_k.f90\nq-e-qe-7.6/KS_Solvers/ParO/paro_k_new.f90\nq-e-qe-7.6/KS_Solvers/ParO/pcg_gamma.f90\nq-e-qe-7.6/KS_Solvers/ParO/pcg_k.f90\nq-e-qe-7.6/KS_Solvers/RMM/\nq-e-qe-7.6/KS_Solvers/RMM/Makefile\nq-e-qe-7.6/KS_Solvers/RMM/crmmdiagg.f90\nq-e-qe-7.6/KS_Solvers/RMM/rrmmdiagg.f90\nq-e-qe-7.6/KS_Solvers/ks_solver_interfaces.h\nq-e-qe-7.6/LAXlib/\nq-e-qe-7.6/LAXlib/CMakeLists.txt\nq-e-qe-7.6/LAXlib/Makefile\nq-e-qe-7.6/LAXlib/README.TEST\nq-e-qe-7.6/LAXlib/cdiagh.f90\nq-e-qe-7.6/LAXlib/cdiaghg.f90\nq-e-qe-7.6/LAXlib/distools.f90\nq-e-qe-7.6/LAXlib/dspev_drv.f90\nq-e-qe-7.6/LAXlib/la_error.f90\nq-e-qe-7.6/LAXlib/la_helper.f90\nq-e-qe-7.6/LAXlib/la_module.f90\nq-e-qe-7.6/LAXlib/la_param.f90\nq-e-qe-7.6/LAXlib/la_types.f90\nq-e-qe-7.6/LAXlib/laxlib.h\nq-e-qe-7.6/LAXlib/laxlib_hi.h\nq-e-qe-7.6/LAXlib/laxlib_kinds.h\nq-e-qe-7.6/LAXlib/laxlib_low.h\nq-e-qe-7.6/LAXlib/laxlib_mid.h\nq-e-qe-7.6/LAXlib/laxlib_param.h\nq-e-qe-7.6/LAXlib/mp_diag.f90\nq-e-qe-7.6/LAXlib/ptoolkit.f90\nq-e-qe-7.6/LAXlib/rdiagh.f90\nq-e-qe-7.6/LAXlib/rdiaghg.f90\nq-e-qe-7.6/LAXlib/test.f90\nq-e-qe-7.6/LAXlib/tests/\nq-e-qe-7.6/LAXlib/tests/.gitattributes\nq-e-qe-7.6/LAXlib/tests/CMakeLists.txt\nq-e-qe-7.6/LAXlib/tests/Makefile\nq-e-qe-7.6/LAXlib/tests/README.md\nq-e-qe-7.6/LAXlib/tests/ZnOG1.bin\nq-e-qe-7.6/LAXlib/tests/ZnOG2.bin\nq-e-qe-7.6/LAXlib/tests/ZnOK1.bin\nq-e-qe-7.6/LAXlib/tests/ZnOK2.bin\nq-e-qe-7.6/LAXlib/tests/mp_world.f90\nq-e-qe-7.6/LAXlib/tests/test_diagh_1.f90\nq-e-qe-7.6/LAXlib/tests/test_diagh_2.f90\nq-e-qe-7.6/LAXlib/tests/test_diagh_4.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_1.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_2.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_3.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_4.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_1.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_2.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_3.f90\nq-e-qe-7.6/LAXlib/tests/test_diaghg_gpu_4.f90\nq-e-qe-7.6/LAXlib/tests/test_helpers.f90\nq-e-qe-7.6/LAXlib/tests/test_io.f90\nq-e-qe-7.6/LAXlib/tests/test_lapack_zdotc.f90\nq-e-qe-7.6/LAXlib/tests/tester.f90\nq-e-qe-7.6/LAXlib/tests/utils.f90\nq-e-qe-7.6/LAXlib/transto.f90\nq-e-qe-7.6/LAXlib/zhpev_drv.f90\nq-e-qe-7.6/LR_Modules/\nq-e-qe-7.6/LR_Modules/CMakeLists.txt\nq-e-qe-7.6/LR_Modules/Coul_cut_2D_ph.f90\nq-e-qe-7.6/LR_Modules/Makefile\nq-e-qe-7.6/LR_Modules/adddvepsi_us.f90\nq-e-qe-7.6/LR_Modules/adddvhubscf.f90\nq-e-qe-7.6/LR_Modules/adddvscf.f90\nq-e-qe-7.6/LR_Modules/addusdbec.f90\nq-e-qe-7.6/LR_Modules/addusdbec_nc.f90\nq-e-qe-7.6/LR_Modules/addusldos.f90\nq-e-qe-7.6/LR_Modules/apply_dpot.f90\nq-e-qe-7.6/LR_Modules/apply_dpot_mod.f90\nq-e-qe-7.6/LR_Modules/apply_trev.f90\nq-e-qe-7.6/LR_Modules/c_bands_ph.f90\nq-e-qe-7.6/LR_Modules/ccg_psi.f90\nq-e-qe-7.6/LR_Modules/ccgsolve_all.f90\nq-e-qe-7.6/LR_Modules/cft_wave.f90\nq-e-qe-7.6/LR_Modules/cg_psi.f90\nq-e-qe-7.6/LR_Modules/cgsolve_all.f90\nq-e-qe-7.6/LR_Modules/ch_psi_all.f90\nq-e-qe-7.6/LR_Modules/ch_psi_all_complex.f90\nq-e-qe-7.6/LR_Modules/check_q_points_sym.f90\nq-e-qe-7.6/LR_Modules/compute_vsgga.f90\nq-e-qe-7.6/LR_Modules/dfpt_kernels.f90\nq-e-qe-7.6/LR_Modules/dfpt_tetra_mod.f90\nq-e-qe-7.6/LR_Modules/dfpt_type.f90\nq-e-qe-7.6/LR_Modules/dgradcorr.f90\nq-e-qe-7.6/LR_Modules/dnonloccorr.f90\nq-e-qe-7.6/LR_Modules/dnsq_scf.f90\nq-e-qe-7.6/LR_Modules/dv_of_drho.f90\nq-e-qe-7.6/LR_Modules/dv_rVV10.f90\nq-e-qe-7.6/LR_Modules/dv_vdW_DF.f90\nq-e-qe-7.6/LR_Modules/dynmat_sub.f90\nq-e-qe-7.6/LR_Modules/efermi_shift.f90\nq-e-qe-7.6/LR_Modules/h_prec.f90\nq-e-qe-7.6/LR_Modules/h_prec_freq.f90\nq-e-qe-7.6/LR_Modules/incdrhoscf_mod.f90\nq-e-qe-7.6/LR_Modules/lanczos_nonhermitian.f90\nq-e-qe-7.6/LR_Modules/lanczos_nonhermitian_c.f90\nq-e-qe-7.6/LR_Modules/lanczos_pseudohermitian.f90\nq-e-qe-7.6/LR_Modules/lanczos_pseudohermitian_c.f90\nq-e-qe-7.6/LR_Modules/localdos.f90\nq-e-qe-7.6/LR_Modules/lr_addusddens.f90\nq-e-qe-7.6/LR_Modules/lr_dot.f90\nq-e-qe-7.6/LR_Modules/lr_dot_magnons.f90\nq-e-qe-7.6/LR_Modules/lr_nc_mag.f90\nq-e-qe-7.6/LR_Modules/lr_orthoUwfc.f90\nq-e-qe-7.6/LR_Modules/lr_restart.f90\nq-e-qe-7.6/LR_Modules/lr_sm1_psi.f90\nq-e-qe-7.6/LR_Modules/lr_sym_mod.f90\nq-e-qe-7.6/LR_Modules/lr_sym_paw.f90\nq-e-qe-7.6/LR_Modules/lr_two_chem.f90\nq-e-qe-7.6/LR_Modules/lrcom.f90\nq-e-qe-7.6/LR_Modules/mix_pot.f90\nq-e-qe-7.6/LR_Modules/mode_group.f90\nq-e-qe-7.6/LR_Modules/newdq.f90\nq-e-qe-7.6/LR_Modules/non_scf_ph.f90\nq-e-qe-7.6/LR_Modules/orthogonalize.f90\nq-e-qe-7.6/LR_Modules/orthogonalize_omega.f90\nq-e-qe-7.6/LR_Modules/psymdvscf.f90\nq-e-qe-7.6/LR_Modules/qdipol_cryst.f90\nq-e-qe-7.6/LR_Modules/qpoint.f90\nq-e-qe-7.6/LR_Modules/response_kernels.f90\nq-e-qe-7.6/LR_Modules/set_dbecsum_nc.f90\nq-e-qe-7.6/LR_Modules/set_int3_nc.f90\nq-e-qe-7.6/LR_Modules/set_intq_nc.f90\nq-e-qe-7.6/LR_Modules/set_kplusq_nc.f90\nq-e-qe-7.6/LR_Modules/set_small_group_of_q.f90\nq-e-qe-7.6/LR_Modules/setqmod.f90\nq-e-qe-7.6/LR_Modules/setup_alpha_pv.f90\nq-e-qe-7.6/LR_Modules/setup_dgc.f90\nq-e-qe-7.6/LR_Modules/setup_dmuxc.f90\nq-e-qe-7.6/LR_Modules/setup_nbnd_occ.f90\nq-e-qe-7.6/LR_Modules/setup_nscf.f90\nq-e-qe-7.6/LR_Modules/sgam_lr.f90\nq-e-qe-7.6/LR_Modules/smallgq.f90\nq-e-qe-7.6/LR_Modules/star_q.f90\nq-e-qe-7.6/LR_Modules/sym_def.f90\nq-e-qe-7.6/LR_Modules/sym_dmag.f90\nq-e-qe-7.6/LR_Modules/sym_dns.f90\nq-e-qe-7.6/LR_Modules/symdvscf.f90\nq-e-qe-7.6/LR_Modules/twochem_postproc_dfpt.f90\nq-e-qe-7.6/License\nq-e-qe-7.6/Makefile\nq-e-qe-7.6/Modules/\nq-e-qe-7.6/Modules/CMakeLists.txt\nq-e-qe-7.6/Modules/Makefile\nq-e-qe-7.6/Modules/additional_kpoints.f90\nq-e-qe-7.6/Modules/allocate_fft_3drism.f90\nq-e-qe-7.6/Modules/atom_weight.f90\nq-e-qe-7.6/Modules/atomic_wfc_mod.f90\nq-e-qe-7.6/Modules/autopilot.f90\nq-e-qe-7.6/Modules/basic_algebra_routines.f90\nq-e-qe-7.6/Modules/becmod.f90\nq-e-qe-7.6/Modules/bfgs_module.f90\nq-e-qe-7.6/Modules/bspline.f90\nq-e-qe-7.6/Modules/bz_form.f90\nq-e-qe-7.6/Modules/cell_base.f90\nq-e-qe-7.6/Modules/cell_nose.f90\nq-e-qe-7.6/Modules/check_stop.f90\nq-e-qe-7.6/Modules/chempot.f90\nq-e-qe-7.6/Modules/chempot_lauerism.f90\nq-e-qe-7.6/Modules/closure.f90\nq-e-qe-7.6/Modules/command_line_options.f90\nq-e-qe-7.6/Modules/compute_dipole.f90\nq-e-qe-7.6/Modules/constants.f90\nq-e-qe-7.6/Modules/constraints_module.f90\nq-e-qe-7.6/Modules/control_flags.f90\nq-e-qe-7.6/Modules/copy_order_um_from_xml.f90\nq-e-qe-7.6/Modules/corrdipole_laue.f90\nq-e-qe-7.6/Modules/correctat0_vv.f90\nq-e-qe-7.6/Modules/corrgxy0_laue.f90\nq-e-qe-7.6/Modules/coulomb_vcut.f90\nq-e-qe-7.6/Modules/cryst_to_car.f90\nq-e-qe-7.6/Modules/cryst_to_car_2d.f90\nq-e-qe-7.6/Modules/customize_signals.c\nq-e-qe-7.6/Modules/data_structure_3drism.f90\nq-e-qe-7.6/Modules/date_and_tim.f90\nq-e-qe-7.6/Modules/deviatoric.f90\nq-e-qe-7.6/Modules/dist.f90\nq-e-qe-7.6/Modules/do_1drism.f90\nq-e-qe-7.6/Modules/do_3drism.f90\nq-e-qe-7.6/Modules/do_lauerism.f90\nq-e-qe-7.6/Modules/electrons_base.f90\nq-e-qe-7.6/Modules/environ_api_stub.f90\nq-e-qe-7.6/Modules/environ_base_module.f90\nq-e-qe-7.6/Modules/environment.f90\nq-e-qe-7.6/Modules/eqn_1drism.f90\nq-e-qe-7.6/Modules/eqn_3drism.f90\nq-e-qe-7.6/Modules/eqn_lauedipole.f90\nq-e-qe-7.6/Modules/eqn_lauegxy0.f90\nq-e-qe-7.6/Modules/eqn_lauelong.f90\nq-e-qe-7.6/Modules/eqn_lauerism.f90\nq-e-qe-7.6/Modules/eqn_laueshort.f90\nq-e-qe-7.6/Modules/eqn_lauevoid.f90\nq-e-qe-7.6/Modules/err_rism.f90\nq-e-qe-7.6/Modules/expint.f90\nq-e-qe-7.6/Modules/extffield.f90\nq-e-qe-7.6/Modules/fd_gradient.f90\nq-e-qe-7.6/Modules/fft_base.f90\nq-e-qe-7.6/Modules/fft_rho.f90\nq-e-qe-7.6/Modules/fft_wave.f90\nq-e-qe-7.6/Modules/fox_init_module.f90\nq-e-qe-7.6/Modules/fsockets.f90\nq-e-qe-7.6/Modules/funct.f90\nq-e-qe-7.6/Modules/generate_function.f90\nq-e-qe-7.6/Modules/generate_k_along_lines.f90\nq-e-qe-7.6/Modules/gradutils.f90\nq-e-qe-7.6/Modules/guess_3drism.f90\nq-e-qe-7.6/Modules/gvecw.f90\nq-e-qe-7.6/Modules/has_xml.f90\nq-e-qe-7.6/Modules/hdf5_qe.f90\nq-e-qe-7.6/Modules/init_1drism.f90\nq-e-qe-7.6/Modules/init_3drism.f90\nq-e-qe-7.6/Modules/inpfile.f90\nq-e-qe-7.6/Modules/input_1drism.f90\nq-e-qe-7.6/Modules/input_3drism.f90\nq-e-qe-7.6/Modules/input_parameters.f90\nq-e-qe-7.6/Modules/int_to_char.f90\nq-e-qe-7.6/Modules/invmat.f90\nq-e-qe-7.6/Modules/io_base.f90\nq-e-qe-7.6/Modules/io_files.f90\nq-e-qe-7.6/Modules/io_global.f90\nq-e-qe-7.6/Modules/io_rism_xml.f90\nq-e-qe-7.6/Modules/ions_base.f90\nq-e-qe-7.6/Modules/ions_nose.f90\nq-e-qe-7.6/Modules/kind.f90\nq-e-qe-7.6/Modules/latgen.f90\nq-e-qe-7.6/Modules/lauefft.f90\nq-e-qe-7.6/Modules/lauefft_subs.f90\nq-e-qe-7.6/Modules/linpack.f90\nq-e-qe-7.6/Modules/lj_forcefield.f90\nq-e-qe-7.6/Modules/lj_solute.f90\nq-e-qe-7.6/Modules/lmdif.f90\nq-e-qe-7.6/Modules/makov_payne.f90\nq-e-qe-7.6/Modules/mbdlib.f90\nq-e-qe-7.6/Modules/mdiis.f90\nq-e-qe-7.6/Modules/mm_dispersion.f90\nq-e-qe-7.6/Modules/molebridge_vv.f90\nq-e-qe-7.6/Modules/molecorr_vv.f90\nq-e-qe-7.6/Modules/molecule_const.f90\nq-e-qe-7.6/Modules/molecule_types.f90\nq-e-qe-7.6/Modules/more_functionals.f90\nq-e-qe-7.6/Modules/mp_bands.f90\nq-e-qe-7.6/Modules/mp_exx.f90\nq-e-qe-7.6/Modules/mp_global.f90\nq-e-qe-7.6/Modules/mp_images.f90\nq-e-qe-7.6/Modules/mp_pools.f90\nq-e-qe-7.6/Modules/mp_rism.f90\nq-e-qe-7.6/Modules/mp_swap_ax_rism.f90\nq-e-qe-7.6/Modules/mp_wave.f90\nq-e-qe-7.6/Modules/mp_world.f90\nq-e-qe-7.6/Modules/noncol.f90\nq-e-qe-7.6/Modules/normalize_lauerism.f90\nq-e-qe-7.6/Modules/open_close_input_file.f90\nq-e-qe-7.6/Modules/parameters.f90\nq-e-qe-7.6/Modules/parser.f90\nq-e-qe-7.6/Modules/plot_io.f90\nq-e-qe-7.6/Modules/plot_rism.f90\nq-e-qe-7.6/Modules/plugin_arguments.f90\nq-e-qe-7.6/Modules/plugin_flags.f90\nq-e-qe-7.6/Modules/plugin_variables.f90\nq-e-qe-7.6/Modules/potential_3drism.f90\nq-e-qe-7.6/Modules/potential_esm.f90\nq-e-qe-7.6/Modules/potential_vv.f90\nq-e-qe-7.6/Modules/print_chempot_3drism.f90\nq-e-qe-7.6/Modules/print_chempot_lauerism.f90\nq-e-qe-7.6/Modules/print_chempot_vv.f90\nq-e-qe-7.6/Modules/print_corr_vv.f90\nq-e-qe-7.6/Modules/print_solvavg.f90\nq-e-qe-7.6/Modules/printout_base.f90\nq-e-qe-7.6/Modules/pw_dot.f90\nq-e-qe-7.6/Modules/qeh5_module.f90\nq-e-qe-7.6/Modules/qes_bcast_module.f90\nq-e-qe-7.6/Modules/qes_init_module.f90\nq-e-qe-7.6/Modules/qes_libs_module.f90\nq-e-qe-7.6/Modules/qes_read_module.f90\nq-e-qe-7.6/Modules/qes_reset_module.f90\nq-e-qe-7.6/Modules/qes_types_module.f90\nq-e-qe-7.6/Modules/qes_write_module.f90\nq-e-qe-7.6/Modules/qexsd.f90\nq-e-qe-7.6/Modules/qexsd_copy.f90\nq-e-qe-7.6/Modules/qexsd_init.f90\nq-e-qe-7.6/Modules/qexsd_input.f90\nq-e-qe-7.6/Modules/qmmm.f90\nq-e-qe-7.6/Modules/qmmm_aux.c\nq-e-qe-7.6/Modules/radfft.f90\nq-e-qe-7.6/Modules/radial_gradients.f90\nq-e-qe-7.6/Modules/random_numbers.f90\nq-e-qe-7.6/Modules/random_numbers_gpu.f90\nq-e-qe-7.6/Modules/read_cards.f90\nq-e-qe-7.6/Modules/read_input.f90\nq-e-qe-7.6/Modules/read_mol.f90\nq-e-qe-7.6/Modules/read_namelists.f90\nq-e-qe-7.6/Modules/read_pseudo.f90\nq-e-qe-7.6/Modules/read_solv.f90\nq-e-qe-7.6/Modules/recips.f90\nq-e-qe-7.6/Modules/recvec.f90\nq-e-qe-7.6/Modules/recvec_3drism.f90\nq-e-qe-7.6/Modules/recvec_subs.f90\nq-e-qe-7.6/Modules/remove_tot_torque.f90\nq-e-qe-7.6/Modules/rgen.f90\nq-e-qe-7.6/Modules/rism.f90\nq-e-qe-7.6/Modules/rism1d_facade.f90\nq-e-qe-7.6/Modules/rism3d_facade.f90\nq-e-qe-7.6/Modules/rms_residual.f90\nq-e-qe-7.6/Modules/run_info.f90\nq-e-qe-7.6/Modules/scale_fft_3drism.f90\nq-e-qe-7.6/Modules/scale_fft_lauerism.f90\nq-e-qe-7.6/Modules/set_para_diag.f90\nq-e-qe-7.6/Modules/set_signal.f90\nq-e-qe-7.6/Modules/set_vdw_corr.f90\nq-e-qe-7.6/Modules/setqf.f90\nq-e-qe-7.6/Modules/sockets.c\nq-e-qe-7.6/Modules/solute.f90\nq-e-qe-7.6/Modules/solvation_3drism.f90\nq-e-qe-7.6/Modules/solvation_esm.f90\nq-e-qe-7.6/Modules/solvation_force.f90\nq-e-qe-7.6/Modules/solvation_lauerism.f90\nq-e-qe-7.6/Modules/solvation_pbc.f90\nq-e-qe-7.6/Modules/solvation_stress.f90\nq-e-qe-7.6/Modules/solvavg.f90\nq-e-qe-7.6/Modules/solvmol.f90\nq-e-qe-7.6/Modules/sort.f90\nq-e-qe-7.6/Modules/space_group.f90\nq-e-qe-7.6/Modules/summary_1drism.f90\nq-e-qe-7.6/Modules/summary_3drism.f90\nq-e-qe-7.6/Modules/suscept_g0.f90\nq-e-qe-7.6/Modules/suscept_laue.f90\nq-e-qe-7.6/Modules/suscept_laueint.f90\nq-e-qe-7.6/Modules/suscept_vv.f90\nq-e-qe-7.6/Modules/timestep.f90\nq-e-qe-7.6/Modules/trimcheck.f90\nq-e-qe-7.6/Modules/tsvdw.f90\nq-e-qe-7.6/Modules/version.f90\nq-e-qe-7.6/Modules/volume.f90\nq-e-qe-7.6/Modules/w0gauss.f90\nq-e-qe-7.6/Modules/w1gauss.f90\nq-e-qe-7.6/Modules/wannier_gw.f90\nq-e-qe-7.6/Modules/wannier_new.f90\nq-e-qe-7.6/Modules/wave_gauge.f90\nq-e-qe-7.6/Modules/wavefunctions.f90\nq-e-qe-7.6/Modules/wgauss.f90\nq-e-qe-7.6/Modules/write_rism_type.f90\nq-e-qe-7.6/Modules/ws_base.f90\nq-e-qe-7.6/Modules/wyckoff.f90\nq-e-qe-7.6/Modules/wypos.f90\nq-e-qe-7.6/Modules/xc_rVV10.f90\nq-e-qe-7.6/Modules/xc_vdW_DF.f90\nq-e-qe-7.6/Modules/xml_io_rism.f90\nq-e-qe-7.6/Modules/xsf.f90\nq-e-qe-7.6/Modules/zvscal.f90\nq-e-qe-7.6/NEB/\nq-e-qe-7.6/NEB/CMakeLists.txt\nq-e-qe-7.6/NEB/Doc/\nq-e-qe-7.6/NEB/Doc/INPUT_NEB.def\nq-e-qe-7.6/NEB/Doc/Makefile\nq-e-qe-7.6/NEB/Doc/user_guide.pdf\nq-e-qe-7.6/NEB/Doc/user_guide.tex\nq-e-qe-7.6/NEB/Makefile\nq-e-qe-7.6/NEB/examples/\nq-e-qe-7.6/NEB/examples/ESM_example/\nq-e-qe-7.6/NEB/examples/ESM_example/README\nq-e-qe-7.6/NEB/examples/ESM_example/reference/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_1/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_2/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_3/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_4/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/Al001+H_FCP_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_FCP_vm05_5/Al001+H_FCP_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_1/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_2/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_3/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_4/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/Al001+H_GCSCF_vm05.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_GCSCF_vm05_5/Al001+H_GCSCF_vm05.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_1/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_1/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_2/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_2/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_3/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_3/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_4/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_4/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_5/Al001+H_bc3.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_5/Al001+H_bc3.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.axsf\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.crd\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.dat\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.int\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.path\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.xyz\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_1/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_2/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_3/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_4/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/Al001+H_bc3_n215.esm1\nq-e-qe-7.6/NEB/examples/ESM_example/reference/Al001+H_bc3_n215_5/Al001+H_bc3_n215.xml\nq-e-qe-7.6/NEB/examples/ESM_example/run_example\nq-e-qe-7.6/NEB/examples/ESM_example/run_example_ESM\nq-e-qe-7.6/NEB/examples/ESM_example/run_example_FCP\nq-e-qe-7.6/NEB/examples/ESM_example/run_example_GCSCF\nq-e-qe-7.6/NEB/examples/check-neb.x.j\nq-e-qe-7.6/NEB/examples/clean_all\nq-e-qe-7.6/NEB/examples/example01/\nq-e-qe-7.6/NEB/examples/example01/README\nq-e-qe-7.6/NEB/examples/example01/reference/\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.axsf\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.dat\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.int\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.out\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.path\nq-e-qe-7.6/NEB/examples/example01/reference/H2+H.xyz\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.axsf\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.dat\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.int\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.out\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.path\nq-e-qe-7.6/NEB/examples/example01/reference/asymmetric_H2+H.xyz\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.axsf\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.dat\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.int\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.out\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.path\nq-e-qe-7.6/NEB/examples/example01/reference/symmetric_H2+H.xyz\nq-e-qe-7.6/NEB/examples/example01/run_example\nq-e-qe-7.6/NEB/examples/neb0.in\nq-e-qe-7.6/NEB/examples/neb0.ref\nq-e-qe-7.6/NEB/examples/neb1.in\nq-e-qe-7.6/NEB/examples/neb1.ref\nq-e-qe-7.6/NEB/examples/neb2.in\nq-e-qe-7.6/NEB/examples/neb2.ref\nq-e-qe-7.6/NEB/src/\nq-e-qe-7.6/NEB/src/Makefile\nq-e-qe-7.6/NEB/src/bcast_file.f90\nq-e-qe-7.6/NEB/src/compute_scf.f90\nq-e-qe-7.6/NEB/src/engine_to_path_alat.f90\nq-e-qe-7.6/NEB/src/engine_to_path_fix_atom_pos.f90\nq-e-qe-7.6/NEB/src/engine_to_path_nat.f90\nq-e-qe-7.6/NEB/src/engine_to_path_pos.f90\nq-e-qe-7.6/NEB/src/engine_to_path_tot_charge.f90\nq-e-qe-7.6/NEB/src/fcp_opt_routines.f90\nq-e-qe-7.6/NEB/src/fcp_variables.f90\nq-e-qe-7.6/NEB/src/gcscf_variables.f90\nq-e-qe-7.6/NEB/src/neb.f90\nq-e-qe-7.6/NEB/src/neb_input.f90\nq-e-qe-7.6/NEB/src/path_base.f90\nq-e-qe-7.6/NEB/src/path_formats.f90\nq-e-qe-7.6/NEB/src/path_gen_inputs.f90\nq-e-qe-7.6/NEB/src/path_input_parameters_module.f90\nq-e-qe-7.6/NEB/src/path_interpolation.f90\nq-e-qe-7.6/NEB/src/path_io_routines.f90\nq-e-qe-7.6/NEB/src/path_io_tools.f90\nq-e-qe-7.6/NEB/src/path_io_units_module.f90\nq-e-qe-7.6/NEB/src/path_opt_routines.f90\nq-e-qe-7.6/NEB/src/path_read_cards_module.f90\nq-e-qe-7.6/NEB/src/path_read_namelists_module.f90\nq-e-qe-7.6/NEB/src/path_reparametrisation.f90\nq-e-qe-7.6/NEB/src/path_to_engine_fix_atom_pos.f90\nq-e-qe-7.6/NEB/src/path_variables.f90\nq-e-qe-7.6/NEB/src/set_defaults.f90\nq-e-qe-7.6/NEB/src/stop_run_path.f90\nq-e-qe-7.6/NEB/tools/\nq-e-qe-7.6/NEB/tools/path_interpolation.sh\nq-e-qe-7.6/NEB/tools/path_merge.sh\nq-e-qe-7.6/PHonon/\nq-e-qe-7.6/PHonon/CMakeLists.txt\nq-e-qe-7.6/PHonon/Doc/\nq-e-qe-7.6/PHonon/Doc/INPUT_DYNMAT.def\nq-e-qe-7.6/PHonon/Doc/INPUT_Gamma\nq-e-qe-7.6/PHonon/Doc/INPUT_MATDYN.def\nq-e-qe-7.6/PHonon/Doc/INPUT_PH.def\nq-e-qe-7.6/PHonon/Doc/INPUT_POSTAHC.def\nq-e-qe-7.6/PHonon/Doc/INPUT_Q2R.def\nq-e-qe-7.6/PHonon/Doc/Makefile\nq-e-qe-7.6/PHonon/Doc/developer_man.pdf\nq-e-qe-7.6/PHonon/Doc/dfpt_self_energy.pdf\nq-e-qe-7.6/PHonon/Doc/dfpt_self_energy.tex\nq-e-qe-7.6/PHonon/Doc/dfpt_tetra.pdf\nq-e-qe-7.6/PHonon/Doc/dfpt_tetra.tex\nq-e-qe-7.6/PHonon/Doc/input_xx.xsl\nq-e-qe-7.6/PHonon/Doc/pic/\nq-e-qe-7.6/PHonon/Doc/pic/elph_tetra.pdf\nq-e-qe-7.6/PHonon/Doc/user_guide.pdf\nq-e-qe-7.6/PHonon/Doc/user_guide.tex\nq-e-qe-7.6/PHonon/FD/\nq-e-qe-7.6/PHonon/FD/Makefile\nq-e-qe-7.6/PHonon/FD/example/\nq-e-qe-7.6/PHonon/FD/example/README\nq-e-qe-7.6/PHonon/FD/example/Si_example/\nq-e-qe-7.6/PHonon/FD/example/Si_example/fd.in\nq-e-qe-7.6/PHonon/FD/example/Si_example/fd_ifc.in\nq-e-qe-7.6/PHonon/FD/example/Si_example/run_fd\nq-e-qe-7.6/PHonon/FD/example/Si_example/si.scf.in\nq-e-qe-7.6/PHonon/FD/fd.f90\nq-e-qe-7.6/PHonon/FD/fd_ef.f90\nq-e-qe-7.6/PHonon/FD/fd_ifc.f90\nq-e-qe-7.6/PHonon/FD/run_fd\nq-e-qe-7.6/PHonon/FD/stop_pp.f90\nq-e-qe-7.6/PHonon/Ford.md\nq-e-qe-7.6/PHonon/Ford/\nq-e-qe-7.6/PHonon/Ford/index.md\nq-e-qe-7.6/PHonon/Gamma/\nq-e-qe-7.6/PHonon/Gamma/Makefile\nq-e-qe-7.6/PHonon/Gamma/a_h.f90\nq-e-qe-7.6/PHonon/Gamma/cg_readin.f90\nq-e-qe-7.6/PHonon/Gamma/cg_setup.f90\nq-e-qe-7.6/PHonon/Gamma/cgcom.f90\nq-e-qe-7.6/PHonon/Gamma/cgsolve.f90\nq-e-qe-7.6/PHonon/Gamma/d2ion.f90\nq-e-qe-7.6/PHonon/Gamma/dgradcorr.f90\nq-e-qe-7.6/PHonon/Gamma/dielec.f90\nq-e-qe-7.6/PHonon/Gamma/drhodv.f90\nq-e-qe-7.6/PHonon/Gamma/dvb_cc.f90\nq-e-qe-7.6/PHonon/Gamma/dvpsi_e.f90\nq-e-qe-7.6/PHonon/Gamma/dvpsi_kb.f90\nq-e-qe-7.6/PHonon/Gamma/dyndiar.f90\nq-e-qe-7.6/PHonon/Gamma/dynmat_init.f90\nq-e-qe-7.6/PHonon/Gamma/dynmatcc.f90\nq-e-qe-7.6/PHonon/Gamma/find_equiv_sites.f90\nq-e-qe-7.6/PHonon/Gamma/generate_dynamical_matrix.f90\nq-e-qe-7.6/PHonon/Gamma/generate_effective_charges.f90\nq-e-qe-7.6/PHonon/Gamma/h_h.f90\nq-e-qe-7.6/PHonon/Gamma/macro.f90\nq-e-qe-7.6/PHonon/Gamma/phcg.f90\nq-e-qe-7.6/PHonon/Gamma/rhod2vkb.f90\nq-e-qe-7.6/PHonon/Gamma/solve_e.f90\nq-e-qe-7.6/PHonon/Gamma/solve_ph.f90\nq-e-qe-7.6/PHonon/Gamma/writedyn.f90\nq-e-qe-7.6/PHonon/Makefile\nq-e-qe-7.6/PHonon/PH/\nq-e-qe-7.6/PHonon/PH/Makefile\nq-e-qe-7.6/PHonon/PH/acfdtest.f90\nq-e-qe-7.6/PHonon/PH/add_dkmds.f90\nq-e-qe-7.6/PHonon/PH/add_for_charges.f90\nq-e-qe-7.6/PHonon/PH/add_zstar_ue.f90\nq-e-qe-7.6/PHonon/PH/add_zstar_ue_us.f90\nq-e-qe-7.6/PHonon/PH/addcore.f90\nq-e-qe-7.6/PHonon/PH/addnlcc_zstar_eu_us.f90\nq-e-qe-7.6/PHonon/PH/addusddens_pulay.f90\nq-e-qe-7.6/PHonon/PH/addusdynmat.f90\nq-e-qe-7.6/PHonon/PH/ahc.f90\nq-e-qe-7.6/PHonon/PH/allocate_part.f90\nq-e-qe-7.6/PHonon/PH/allocate_pert.f90\nq-e-qe-7.6/PHonon/PH/allocate_phq.f90\nq-e-qe-7.6/PHonon/PH/alpha2f.f90\nq-e-qe-7.6/PHonon/PH/bcast_ph_input.f90\nq-e-qe-7.6/PHonon/PH/cch_psi_all.f90\nq-e-qe-7.6/PHonon/PH/check_if_partial_dyn.f90\nq-e-qe-7.6/PHonon/PH/check_initial_status.f90\nq-e-qe-7.6/PHonon/PH/check_restart_recover.f90\nq-e-qe-7.6/PHonon/PH/chi_test.f90\nq-e-qe-7.6/PHonon/PH/clean_pw_ph.f90\nq-e-qe-7.6/PHonon/PH/clinear.f90\nq-e-qe-7.6/PHonon/PH/close_phq.f90\nq-e-qe-7.6/PHonon/PH/compute_alphasum.f90\nq-e-qe-7.6/PHonon/PH/compute_becalp.f90\nq-e-qe-7.6/PHonon/PH/compute_becsum_ph.f90\nq-e-qe-7.6/PHonon/PH/compute_drhous.f90\nq-e-qe-7.6/PHonon/PH/compute_drhous_nc.f90\nq-e-qe-7.6/PHonon/PH/compute_dvloc.f90\nq-e-qe-7.6/PHonon/PH/compute_nldyn.f90\nq-e-qe-7.6/PHonon/PH/compute_weight.f90\nq-e-qe-7.6/PHonon/PH/d2ionq.f90\nq-e-qe-7.6/PHonon/PH/d2ionq_disp.f90\nq-e-qe-7.6/PHonon/PH/d2mxc.f90\nq-e-qe-7.6/PHonon/PH/d2nsq_bare.f90\nq-e-qe-7.6/PHonon/PH/davcio_drho.f90\nq-e-qe-7.6/PHonon/PH/deallocate_part.f90\nq-e-qe-7.6/PHonon/PH/deallocate_phq.f90\nq-e-qe-7.6/PHonon/PH/delta_sphi.f90\nq-e-qe-7.6/PHonon/PH/dfile_autoname.f90\nq-e-qe-7.6/PHonon/PH/dfile_star.f90\nq-e-qe-7.6/PHonon/PH/dhdrhopsi.f90\nq-e-qe-7.6/PHonon/PH/dielec.f90\nq-e-qe-7.6/PHonon/PH/dielec_test.f90\nq-e-qe-7.6/PHonon/PH/dnsq_bare.f90\nq-e-qe-7.6/PHonon/PH/dnsq_orth.f90\nq-e-qe-7.6/PHonon/PH/dnsq_orth_set_irr.f90\nq-e-qe-7.6/PHonon/PH/dnsq_store.f90\nq-e-qe-7.6/PHonon/PH/do_phonon.f90\nq-e-qe-7.6/PHonon/PH/do_q2r.f90\nq-e-qe-7.6/PHonon/PH/dpsi_orth.f90\nq-e-qe-7.6/PHonon/PH/drho.f90\nq-e-qe-7.6/PHonon/PH/drhodv.f90\nq-e-qe-7.6/PHonon/PH/drhodvloc.f90\nq-e-qe-7.6/PHonon/PH/drhodvnl.f90\nq-e-qe-7.6/PHonon/PH/drhodvus.f90\nq-e-qe-7.6/PHonon/PH/dump_drho.f90\nq-e-qe-7.6/PHonon/PH/dvanqq.f90\nq-e-qe-7.6/PHonon/PH/dvkb3.f90\nq-e-qe-7.6/PHonon/PH/dvpsi_e.f90\nq-e-qe-7.6/PHonon/PH/dvpsi_e2.f90\nq-e-qe-7.6/PHonon/PH/dvqhub_barepsi_us.f90\nq-e-qe-7.6/PHonon/PH/dvqhub_barepsi_us2.f90\nq-e-qe-7.6/PHonon/PH/dvqpsi_us.f90\nq-e-qe-7.6/PHonon/PH/dvqpsi_us_only.f90\nq-e-qe-7.6/PHonon/PH/dvscf_interpolate.f90\nq-e-qe-7.6/PHonon/PH/dvscf_q2r.f90\nq-e-qe-7.6/PHonon/PH/dwfc.f90\nq-e-qe-7.6/PHonon/PH/dyndia.f90\nq-e-qe-7.6/PHonon/PH/dynmat.f90\nq-e-qe-7.6/PHonon/PH/dynmat0.f90\nq-e-qe-7.6/PHonon/PH/dynmat_hub_bare.f90\nq-e-qe-7.6/PHonon/PH/dynmat_hub_scf.f90\nq-e-qe-7.6/PHonon/PH/dynmat_nlcc.f90\nq-e-qe-7.6/PHonon/PH/dynmat_us.f90\nq-e-qe-7.6/PHonon/PH/dynmatcc.f90\nq-e-qe-7.6/PHonon/PH/dynmatrix.f90\nq-e-qe-7.6/PHonon/PH/el_opt.f90\nq-e-qe-7.6/PHonon/PH/el_ph_collect.f90\nq-e-qe-7.6/PHonon/PH/elph.f90\nq-e-qe-7.6/PHonon/PH/elph_scdft_mod.f90\nq-e-qe-7.6/PHonon/PH/elph_tetra_mod.f90\nq-e-qe-7.6/PHonon/PH/elphon.f90\nq-e-qe-7.6/PHonon/PH/ep_matrix_element_wannier.f90\nq-e-qe-7.6/PHonon/PH/epa.f90\nq-e-qe-7.6/PHonon/PH/find_equiv_sites.f90\nq-e-qe-7.6/PHonon/PH/find_irrep.f90\nq-e-qe-7.6/PHonon/PH/find_mode_sym.f90\nq-e-qe-7.6/PHonon/PH/fqha.f90\nq-e-qe-7.6/PHonon/PH/generate_dynamical_matrix_c.f90\nq-e-qe-7.6/PHonon/PH/generate_effective_charges_c.f90\nq-e-qe-7.6/PHonon/PH/gmressolve_all.f90\nq-e-qe-7.6/PHonon/PH/hdiag.f90\nq-e-qe-7.6/PHonon/PH/incdrhous.f90\nq-e-qe-7.6/PHonon/PH/incdrhous_nc.f90\nq-e-qe-7.6/PHonon/PH/init_representations.f90\nq-e-qe-7.6/PHonon/PH/initialize_ph.f90\nq-e-qe-7.6/PHonon/PH/io_dyn_mat.f90\nq-e-qe-7.6/PHonon/PH/io_dyn_mat_old.f90\nq-e-qe-7.6/PHonon/PH/io_pattern.f90\nq-e-qe-7.6/PHonon/PH/lambda.f90\nq-e-qe-7.6/PHonon/PH/matdyn.f90\nq-e-qe-7.6/PHonon/PH/obsolete.f90\nq-e-qe-7.6/PHonon/PH/openfilq.f90\nq-e-qe-7.6/PHonon/PH/pcgreen.f90\nq-e-qe-7.6/PHonon/PH/ph_restart.f90\nq-e-qe-7.6/PHonon/PH/ph_set_upert.f90\nq-e-qe-7.6/PHonon/PH/phcom.f90\nq-e-qe-7.6/PHonon/PH/phescf.f90\nq-e-qe-7.6/PHonon/PH/phonon.f90\nq-e-qe-7.6/PHonon/PH/phq_init.f90\nq-e-qe-7.6/PHonon/PH/phq_readin.f90\nq-e-qe-7.6/PHonon/PH/phq_recover.f90\nq-e-qe-7.6/PHonon/PH/phq_setup.f90\nq-e-qe-7.6/PHonon/PH/phq_summary.f90\nq-e-qe-7.6/PHonon/PH/phqscf.f90\nq-e-qe-7.6/PHonon/PH/polariz.f90\nq-e-qe-7.6/PHonon/PH/postahc.f90\nq-e-qe-7.6/PHonon/PH/prepare_q.f90\nq-e-qe-7.6/PHonon/PH/prepare_sym_analysis.f90\nq-e-qe-7.6/PHonon/PH/print_clock_ph.f90\nq-e-qe-7.6/PHonon/PH/psidspsi.f90\nq-e-qe-7.6/PHonon/PH/psyme2.f90\nq-e-qe-7.6/PHonon/PH/punch_plot_e.f90\nq-e-qe-7.6/PHonon/PH/q2qstar.f90\nq-e-qe-7.6/PHonon/PH/q2qstar_ph.f90\nq-e-qe-7.6/PHonon/PH/q2r.f90\nq-e-qe-7.6/PHonon/PH/q_points.f90\nq-e-qe-7.6/PHonon/PH/q_points_wannier.f90\nq-e-qe-7.6/PHonon/PH/raman.f90\nq-e-qe-7.6/PHonon/PH/raman_mat.f90\nq-e-qe-7.6/PHonon/PH/ramanm.f90\nq-e-qe-7.6/PHonon/PH/random_matrix.f90\nq-e-qe-7.6/PHonon/PH/read_wfc_rspace_and_fwfft.f90\nq-e-qe-7.6/PHonon/PH/rigid.f90\nq-e-qe-7.6/PHonon/PH/rotate_and_add_dyn.f90\nq-e-qe-7.6/PHonon/PH/rotate_dvscf_star.f90\nq-e-qe-7.6/PHonon/PH/rotate_pattern_add.f90\nq-e-qe-7.6/PHonon/PH/run_nscf.f90\nq-e-qe-7.6/PHonon/PH/save_ph_input.f90\nq-e-qe-7.6/PHonon/PH/set_asr_c.f90\nq-e-qe-7.6/PHonon/PH/set_drhoc.f90\nq-e-qe-7.6/PHonon/PH/set_dvscf.f90\nq-e-qe-7.6/PHonon/PH/set_int12_nc.f90\nq-e-qe-7.6/PHonon/PH/set_irr.f90\nq-e-qe-7.6/PHonon/PH/set_irr_nosym.f90\nq-e-qe-7.6/PHonon/PH/set_irr_sym.f90\nq-e-qe-7.6/PHonon/PH/setlocq.f90\nq-e-qe-7.6/PHonon/PH/solve_e.f90\nq-e-qe-7.6/PHonon/PH/solve_e2.f90\nq-e-qe-7.6/PHonon/PH/solve_e_fpol.f90\nq-e-qe-7.6/PHonon/PH/solve_e_nscf.f90\nq-e-qe-7.6/PHonon/PH/solve_linter.f90\nq-e-qe-7.6/PHonon/PH/stop_ph.f90\nq-e-qe-7.6/PHonon/PH/summarize.f90\nq-e-qe-7.6/PHonon/PH/swfc.f90\nq-e-qe-7.6/PHonon/PH/sym_and_write_zue.f90\nq-e-qe-7.6/PHonon/PH/sym_dns_wrapper.f90\nq-e-qe-7.6/PHonon/PH/symdyn_munu.f90\nq-e-qe-7.6/PHonon/PH/symdynph_gq.f90\nq-e-qe-7.6/PHonon/PH/syme2.f90\nq-e-qe-7.6/PHonon/PH/symm.f90\nq-e-qe-7.6/PHonon/PH/symmorphic_or_nzb.f90\nq-e-qe-7.6/PHonon/PH/tra_write_matrix.f90\nq-e-qe-7.6/PHonon/PH/transform_alphasum_nc.f90\nq-e-qe-7.6/PHonon/PH/transform_alphasum_so.f90\nq-e-qe-7.6/PHonon/PH/transform_int_nc.f90\nq-e-qe-7.6/PHonon/PH/transform_int_so.f90\nq-e-qe-7.6/PHonon/PH/trntnsc.f90\nq-e-qe-7.6/PHonon/PH/write_eigenvectors.f90\nq-e-qe-7.6/PHonon/PH/write_epsilon_and_zeu.f90\nq-e-qe-7.6/PHonon/PH/write_hub.f90\nq-e-qe-7.6/PHonon/PH/write_matrix.f90\nq-e-qe-7.6/PHonon/PH/write_modes.f90\nq-e-qe-7.6/PHonon/PH/write_qplot_data.f90\nq-e-qe-7.6/PHonon/PH/write_ramtns.f90\nq-e-qe-7.6/PHonon/PH/write_rec.f90\nq-e-qe-7.6/PHonon/PH/yambo.f90\nq-e-qe-7.6/PHonon/PH/zstar_eu.f90\nq-e-qe-7.6/PHonon/PH/zstar_eu_us.f90\nq-e-qe-7.6/PHonon/examples/\nq-e-qe-7.6/PHonon/examples/GRID_example/\nq-e-qe-7.6/PHonon/examples/GRID_example/README\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.ph.out0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.1.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.2.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.3.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.4.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.5.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.6.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.7.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/output.8.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.7\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/output.8\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_1/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.7\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_2/al.elph.out.8\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.444.fc.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn1.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn2.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn3.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn4.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn5.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn6.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn7.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.dyn8.xml\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.freq\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.freq.rap\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.ph.in0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.ph.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.ph.out0\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.1.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.1.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.1.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.2.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.2.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.3.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.3.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.4.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.4.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.5.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/freq.plot.5.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.freq\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.freq.rap\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.modes\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.1.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.2.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.3.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.4.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.5.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.6.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.7.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.1\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.2\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.3\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.4\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.5\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/output.8.6\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/phdos.out\nq-e-qe-7.6/PHonon/examples/GRID_example/reference_3/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example_1\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example_2\nq-e-qe-7.6/PHonon/examples/GRID_example/run_example_3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/README\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.444.fc\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dispersions.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn0\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn7\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.dyn8\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.collect.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.1.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.2.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.3.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.4.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.5.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.6.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.7.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.out.8.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.prep.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.1.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.2.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.3.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.4.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.5.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.6.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.7.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.ph.rec.out.8.6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.phdos.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/freq.plot\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/phdos.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dispersions.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn0\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn1\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn2\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn3\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn4\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn5\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn6\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn7\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.dyn8\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.ph.collect.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.ph.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.ph.rec.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.phdos\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.phdos.ps\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas.scf.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/alas444.fc\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/freq.plot\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.freq\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.freq.gp\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.modes\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/matdyn.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/out.1_0\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/phdos.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/reference_2/q2r.out\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/run_example\nq-e-qe-7.6/PHonon/examples/GRID_recover_example/run_example_2\nq-e-qe-7.6/PHonon/examples/Image_example/\nq-e-qe-7.6/PHonon/examples/Image_example/README\nq-e-qe-7.6/PHonon/examples/Image_example/reference/\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.ph.out1\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/Image_example/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/out.1_0\nq-e-qe-7.6/PHonon/examples/Image_example/reference/phdos.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn0\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn1\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn2\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn3\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn4\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn5\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn6\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn7\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.disp.dyn8\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn0\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn1\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn10\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn11\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn12\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn13\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn14\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn15\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn16\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.dyn17\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.freq\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.collect.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.disp.collect.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.disp.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.ph.out\nq-e-qe-7.6/PHonon/examples/Image_example/reference_1/al.scf.out\nq-e-qe-7.6/PHonon/examples/Image_example/run_example\nq-e-qe-7.6/PHonon/examples/Image_example/run_example_1\nq-e-qe-7.6/PHonon/examples/Partial_example/\nq-e-qe-7.6/PHonon/examples/Partial_example/README\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phA1.out\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phE.out1\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phE.out2\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.phG.out\nq-e-qe-7.6/PHonon/examples/Partial_example/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/Partial_example/run_example\nq-e-qe-7.6/PHonon/examples/README\nq-e-qe-7.6/PHonon/examples/Recover_example/\nq-e-qe-7.6/PHonon/examples/Recover_example/README\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Au.phX_rel.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Au.phX_rel.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Au.scf_rel.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phG_pbe.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phG_pbe.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phX_pbe_one_mode.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.phX_pbe_one_mode.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/Cu.scf_pbe.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/ni.phX.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/ni.phX.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/si.phG.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/si.phG.out2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference/si.scf.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/Al444.fc\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/Al444.freq\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/Al444.freq.gp\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos10\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/a2F.dos9\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn0\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.dyn8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.elph.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.elph.out1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.scf.fit.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/al.scf.out\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/dyna2F\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.61\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.62\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.63\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.64\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.65\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.66\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.67\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.68\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.69\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fmatdyn.70\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.59.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.1\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.2\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.3\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.4\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.5\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.6\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.7\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/elph_dir/elph.inp_lambda.8\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/lambda\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/matdyn.in.dos\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/matdyn.modes\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/matdyn.out.dos\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/phonon.dos\nq-e-qe-7.6/PHonon/examples/Recover_example/reference_1/q2r.out\nq-e-qe-7.6/PHonon/examples/Recover_example/run_example\nq-e-qe-7.6/PHonon/examples/Recover_example/run_example_1\nq-e-qe-7.6/PHonon/examples/clean_all\nq-e-qe-7.6/PHonon/examples/example01/\nq-e-qe-7.6/PHonon/examples/example01/README\nq-e-qe-7.6/PHonon/examples/example01/reference/\nq-e-qe-7.6/PHonon/examples/example01/reference/c.phG.out\nq-e-qe-7.6/PHonon/examples/example01/reference/c.scf.out\nq-e-qe-7.6/PHonon/examples/example01/reference/ni.phX.out\nq-e-qe-7.6/PHonon/examples/example01/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.phG.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.phX.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.phXsingle.out\nq-e-qe-7.6/PHonon/examples/example01/reference/si.scf.out\nq-e-qe-7.6/PHonon/examples/example01/run_example\nq-e-qe-7.6/PHonon/examples/example014/\nq-e-qe-7.6/PHonon/examples/example014/run_example_ep_simple\nq-e-qe-7.6/PHonon/examples/example02/\nq-e-qe-7.6/PHonon/examples/example02/README\nq-e-qe-7.6/PHonon/examples/example02/reference/\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.freq\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.phdos\nq-e-qe-7.6/PHonon/examples/example02/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/example02/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/example02/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example02/run_example\nq-e-qe-7.6/PHonon/examples/example03/\nq-e-qe-7.6/PHonon/examples/example03/README\nq-e-qe-7.6/PHonon/examples/example03/reference/\nq-e-qe-7.6/PHonon/examples/example03/reference/al.elph.out\nq-e-qe-7.6/PHonon/examples/example03/reference/al.scf.fit.out\nq-e-qe-7.6/PHonon/examples/example03/reference/al.scf.out\nq-e-qe-7.6/PHonon/examples/example03/reference/lambda\nq-e-qe-7.6/PHonon/examples/example03/run_example\nq-e-qe-7.6/PHonon/examples/example04/\nq-e-qe-7.6/PHonon/examples/example04/README\nq-e-qe-7.6/PHonon/examples/example04/reference/\nq-e-qe-7.6/PHonon/examples/example04/reference/ch4.dyn.out\nq-e-qe-7.6/PHonon/examples/example04/reference/ch4.nm.out\nq-e-qe-7.6/PHonon/examples/example04/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/example04/run_example\nq-e-qe-7.6/PHonon/examples/example05/\nq-e-qe-7.6/PHonon/examples/example05/README\nq-e-qe-7.6/PHonon/examples/example05/reference/\nq-e-qe-7.6/PHonon/examples/example05/reference/alas.dynG\nq-e-qe-7.6/PHonon/examples/example05/reference/alas.ph.out\nq-e-qe-7.6/PHonon/examples/example05/reference/alas.scf.out\nq-e-qe-7.6/PHonon/examples/example05/run_example\nq-e-qe-7.6/PHonon/examples/example06/\nq-e-qe-7.6/PHonon/examples/example06/README\nq-e-qe-7.6/PHonon/examples/example06/reference/\nq-e-qe-7.6/PHonon/examples/example06/reference/pt.ph.out\nq-e-qe-7.6/PHonon/examples/example06/reference/pt.phX.out\nq-e-qe-7.6/PHonon/examples/example06/reference/pt.scf_ph.out\nq-e-qe-7.6/PHonon/examples/example06/run_example\nq-e-qe-7.6/PHonon/examples/example07/\nq-e-qe-7.6/PHonon/examples/example07/README\nq-e-qe-7.6/PHonon/examples/example07/reference/\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.phG.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.phX.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.phX2.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.phG.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.phX.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.phX2.out\nq-e-qe-7.6/PHonon/examples/example07/reference/ni_so.scf.out\nq-e-qe-7.6/PHonon/examples/example07/reference/pt.phG.out\nq-e-qe-7.6/PHonon/examples/example07/reference/pt.phX.out\nq-e-qe-7.6/PHonon/examples/example07/reference/pt.scf.out\nq-e-qe-7.6/PHonon/examples/example07/run_example\nq-e-qe-7.6/PHonon/examples/example08/\nq-e-qe-7.6/PHonon/examples/example08/README\nq-e-qe-7.6/PHonon/examples/example08/reference/\nq-e-qe-7.6/PHonon/examples/example08/reference/Cu.phG_pbe.out\nq-e-qe-7.6/PHonon/examples/example08/reference/Cu.scf_pbe.out\nq-e-qe-7.6/PHonon/examples/example08/reference/c.phG.out\nq-e-qe-7.6/PHonon/examples/example08/reference/c.phX.out\nq-e-qe-7.6/PHonon/examples/example08/reference/c.scf.out\nq-e-qe-7.6/PHonon/examples/example08/reference/ch4.nm.out\nq-e-qe-7.6/PHonon/examples/example08/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/example08/run_example\nq-e-qe-7.6/PHonon/examples/example09/\nq-e-qe-7.6/PHonon/examples/example09/README\nq-e-qe-7.6/PHonon/examples/example09/reference/\nq-e-qe-7.6/PHonon/examples/example09/reference/ch4.fpol.out\nq-e-qe-7.6/PHonon/examples/example09/reference/ch4.scf.out\nq-e-qe-7.6/PHonon/examples/example09/run_example\nq-e-qe-7.6/PHonon/examples/example10/\nq-e-qe-7.6/PHonon/examples/example10/README\nq-e-qe-7.6/PHonon/examples/example10/reference/\nq-e-qe-7.6/PHonon/examples/example10/reference/c.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/c.scf.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2.scf.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2_nc.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/o2_nc.scf.out\nq-e-qe-7.6/PHonon/examples/example10/reference/si.phG.out\nq-e-qe-7.6/PHonon/examples/example10/reference/si.scf.out\nq-e-qe-7.6/PHonon/examples/example10/run_example\nq-e-qe-7.6/PHonon/examples/example11/\nq-e-qe-7.6/PHonon/examples/example11/README\nq-e-qe-7.6/PHonon/examples/example11/reference/\nq-e-qe-7.6/PHonon/examples/example11/reference/Au.phG_pz.out\nq-e-qe-7.6/PHonon/examples/example11/reference/Au.phX_pz.out\nq-e-qe-7.6/PHonon/examples/example11/reference/Au.scf_pz.out\nq-e-qe-7.6/PHonon/examples/example11/run_example\nq-e-qe-7.6/PHonon/examples/example12/\nq-e-qe-7.6/PHonon/examples/example12/README\nq-e-qe-7.6/PHonon/examples/example12/reference/\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4-gga.dyn.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4-gga.nm.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4-gga.scf.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4.dyn.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4.nm.out\nq-e-qe-7.6/PHonon/examples/example12/reference/sih4.scf.out\nq-e-qe-7.6/PHonon/examples/example12/run_example\nq-e-qe-7.6/PHonon/examples/example13/\nq-e-qe-7.6/PHonon/examples/example13/reference/\nq-e-qe-7.6/PHonon/examples/example13/reference/ni.ph.out\nq-e-qe-7.6/PHonon/examples/example13/reference/ni.scf.out\nq-e-qe-7.6/PHonon/examples/example13/run_example\nq-e-qe-7.6/PHonon/examples/example14/\nq-e-qe-7.6/PHonon/examples/example14/README\nq-e-qe-7.6/PHonon/examples/example14/reference/\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn0\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn1\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn2\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn3\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn4\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn5\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn6\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn7\nq-e-qe-7.6/PHonon/examples/example14/reference/al.disp.dyn8\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn.freq\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn0\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn1\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn10\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn11\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn12\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn13\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn14\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn15\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn16\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn17\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn2\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn3\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn4\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn5\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn6\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn7\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn8\nq-e-qe-7.6/PHonon/examples/example14/reference/al.dyn9\nq-e-qe-7.6/PHonon/examples/example14/reference/al.freq\nq-e-qe-7.6/PHonon/examples/example14/reference/al.freq.gp\nq-e-qe-7.6/PHonon/examples/example14/reference/al.ph.disp.out\nq-e-qe-7.6/PHonon/examples/example14/reference/al.ph.out\nq-e-qe-7.6/PHonon/examples/example14/reference/al.scf.out\nq-e-qe-7.6/PHonon/examples/example14/reference/freq.disp.plot\nq-e-qe-7.6/PHonon/examples/example14/reference/freq.plot\nq-e-qe-7.6/PHonon/examples/example14/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/example14/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/example14/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example14/run_example\nq-e-qe-7.6/PHonon/examples/example15/\nq-e-qe-7.6/PHonon/examples/example15/README\nq-e-qe-7.6/PHonon/examples/example15/reference/\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.dm.in\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.dm.out\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.ph.in\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.ph.out\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.scf.in\nq-e-qe-7.6/PHonon/examples/example15/reference/co2.scf.out\nq-e-qe-7.6/PHonon/examples/example15/reference/dmat.co2\nq-e-qe-7.6/PHonon/examples/example15/reference/dmat.zno\nq-e-qe-7.6/PHonon/examples/example15/reference/dynmat.axsf\nq-e-qe-7.6/PHonon/examples/example15/reference/dynmat.mold\nq-e-qe-7.6/PHonon/examples/example15/reference/dynmat.out\nq-e-qe-7.6/PHonon/examples/example15/reference/plot_command_co2.cmd\nq-e-qe-7.6/PHonon/examples/example15/reference/plot_command_zno.cmd\nq-e-qe-7.6/PHonon/examples/example15/reference/plotdata_co2.dat\nq-e-qe-7.6/PHonon/examples/example15/reference/plotdata_zno.dat\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.dm.in\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.dm.out\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.ph.in\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.ph.out\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.scf.in\nq-e-qe-7.6/PHonon/examples/example15/reference/zno.scf.out\nq-e-qe-7.6/PHonon/examples/example15/run_example\nq-e-qe-7.6/PHonon/examples/example16/\nq-e-qe-7.6/PHonon/examples/example16/README\nq-e-qe-7.6/PHonon/examples/example16/reference/\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.rvv10.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.rvv10.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.rvv10.scf.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.scf.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df.scf.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df2.phG.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df2.phK.out\nq-e-qe-7.6/PHonon/examples/example16/reference/graphite.vdw-df2.scf.out\nq-e-qe-7.6/PHonon/examples/example16/run_example\nq-e-qe-7.6/PHonon/examples/example17/\nq-e-qe-7.6/PHonon/examples/example17/README\nq-e-qe-7.6/PHonon/examples/example17/reference/\nq-e-qe-7.6/PHonon/examples/example17/reference/al.dispersions.ps\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn0\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn1\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn10\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn2\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn3\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn4\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn5\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn6\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn7\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn8\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.disp.dyn9\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.freq\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.freq.gp\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.ph.disp.in\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.ph.disp.out\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.scf.in\nq-e-qe-7.6/PHonon/examples/example17/reference/bn.scf.out\nq-e-qe-7.6/PHonon/examples/example17/reference/bn881.fc\nq-e-qe-7.6/PHonon/examples/example17/reference/freq.disp.plot\nq-e-qe-7.6/PHonon/examples/example17/reference/freq.disp.ps\nq-e-qe-7.6/PHonon/examples/example17/reference/matdyn.in\nq-e-qe-7.6/PHonon/examples/example17/reference/matdyn.modes\nq-e-qe-7.6/PHonon/examples/example17/reference/matdyn.out\nq-e-qe-7.6/PHonon/examples/example17/reference/plotband.in\nq-e-qe-7.6/PHonon/examples/example17/reference/q2r.in\nq-e-qe-7.6/PHonon/examples/example17/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example17/run_example\nq-e-qe-7.6/PHonon/examples/example18/\nq-e-qe-7.6/PHonon/examples/example18/README\nq-e-qe-7.6/PHonon/examples/example18/reference/\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.dynG\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.dynq\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.phG.in\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.phq.in\nq-e-qe-7.6/PHonon/examples/example18/reference/LiCoO2.scf.in\nq-e-qe-7.6/PHonon/examples/example18/run_example\nq-e-qe-7.6/PHonon/examples/example19/\nq-e-qe-7.6/PHonon/examples/example19/README\nq-e-qe-7.6/PHonon/examples/example19/reference/\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.coarse.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.coarse.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.fine.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ahc.fine.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn0\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn1\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn2\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn3\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.dyn4\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ifc\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.modes_coarse\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.modes_fine\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.nscf.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.nscf.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ph.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.ph.out\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.scf.in\nq-e-qe-7.6/PHonon/examples/example19/reference/diam.scf.out\nq-e-qe-7.6/PHonon/examples/example19/reference/dvscfq2r.in\nq-e-qe-7.6/PHonon/examples/example19/reference/dvscfq2r.out\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.coarse.in\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.coarse.out\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.fine.in\nq-e-qe-7.6/PHonon/examples/example19/reference/matdyn.fine.out\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.coarse.in\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.coarse.out\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.fine.in\nq-e-qe-7.6/PHonon/examples/example19/reference/postahc.fine.out\nq-e-qe-7.6/PHonon/examples/example19/reference/q2r.in\nq-e-qe-7.6/PHonon/examples/example19/reference/q2r.out\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_coarse_imag.dat\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_coarse_real.dat\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_fine_imag.dat\nq-e-qe-7.6/PHonon/examples/example19/reference/selfen_fine_real.dat\nq-e-qe-7.6/PHonon/examples/example19/run_example\nq-e-qe-7.6/PHonon/examples/run_all_examples\nq-e-qe-7.6/PHonon/examples/tetra_example/\nq-e-qe-7.6/PHonon/examples/tetra_example/README\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.a2F.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn0\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn1\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn1.elph.1\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn10\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn10.elph.10\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn2\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn2.elph.2\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn3\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn3.elph.3\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn4\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn4.elph.4\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn5\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn5.elph.5\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn6\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn6.elph.6\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn7\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn7.elph.7\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn8\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn8.elph.8\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn9\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.dyn9.elph.9\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.elph.in\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.elph.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.ph.in\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.ph.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.scf.in\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/al.scf.out\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/aluminum.McMillan.gp\nq-e-qe-7.6/PHonon/examples/tetra_example/reference/aluminum.a2F.dat\nq-e-qe-7.6/PHonon/examples/tetra_example/run_example\nq-e-qe-7.6/PIOUD/\nq-e-qe-7.6/PIOUD/CMakeLists.txt\nq-e-qe-7.6/PIOUD/Makefile\nq-e-qe-7.6/PIOUD/examples/\nq-e-qe-7.6/PIOUD/examples/clean_all\nq-e-qe-7.6/PIOUD/examples/test_example_diamond/\nq-e-qe-7.6/PIOUD/examples/test_example_diamond/run_example\nq-e-qe-7.6/PIOUD/examples/test_example_diamond/script_sub\nq-e-qe-7.6/PIOUD/src/\nq-e-qe-7.6/PIOUD/src/Makefile\nq-e-qe-7.6/PIOUD/src/compute_scf_pioud.f90\nq-e-qe-7.6/PIOUD/src/engine_to_trpmd_nat_alat.f90\nq-e-qe-7.6/PIOUD/src/engine_to_trpmd_pos.f90\nq-e-qe-7.6/PIOUD/src/fcp_opt_routines.f90\nq-e-qe-7.6/PIOUD/src/fcp_variables.f90\nq-e-qe-7.6/PIOUD/src/make.depend\nq-e-qe-7.6/PIOUD/src/makedeps.sh\nq-e-qe-7.6/PIOUD/src/pimd_subrout.f90\nq-e-qe-7.6/PIOUD/src/pimd_utils.f90\nq-e-qe-7.6/PIOUD/src/pimd_variables.f90\nq-e-qe-7.6/PIOUD/src/pioud.f90\nq-e-qe-7.6/PIOUD/src/pw_gen_inputs.f90\nq-e-qe-7.6/PIOUD/src/ring_formats.f90\nq-e-qe-7.6/PIOUD/src/ring_input_parameters_module.f90\nq-e-qe-7.6/PIOUD/src/ring_io_units_module.f90\nq-e-qe-7.6/PIOUD/src/ring_variables.f90\nq-e-qe-7.6/PIOUD/src/set_defaults.f90\nq-e-qe-7.6/PIOUD/src/stop_run_path.f90\nq-e-qe-7.6/PIOUD/src/trpmd_base.f90\nq-e-qe-7.6/PIOUD/src/trpmd_io_routines.f90\nq-e-qe-7.6/PP/\nq-e-qe-7.6/PP/CMakeLists.txt\nq-e-qe-7.6/PP/Doc/\nq-e-qe-7.6/PP/Doc/INPUT_BANDS.def\nq-e-qe-7.6/PP/Doc/INPUT_BAND_INTERPOLATION.def\nq-e-qe-7.6/PP/Doc/INPUT_D3HESS.def\nq-e-qe-7.6/PP/Doc/INPUT_DOS.def\nq-e-qe-7.6/PP/Doc/INPUT_OSCDFT_ET.def\nq-e-qe-7.6/PP/Doc/INPUT_OSCDFT_PP.def\nq-e-qe-7.6/PP/Doc/INPUT_PP.def\nq-e-qe-7.6/PP/Doc/INPUT_PPACF.def\nq-e-qe-7.6/PP/Doc/INPUT_PPRISM.def\nq-e-qe-7.6/PP/Doc/INPUT_PROJWFC.def\nq-e-qe-7.6/PP/Doc/INPUT_bgw2pw.def\nq-e-qe-7.6/PP/Doc/INPUT_molecularpdos.def\nq-e-qe-7.6/PP/Doc/INPUT_pw2bgw.def\nq-e-qe-7.6/PP/Doc/INPUT_pw2gw.def\nq-e-qe-7.6/PP/Doc/INPUT_pw2wannier90.def\nq-e-qe-7.6/PP/Doc/INPUT_wannier2pw.def\nq-e-qe-7.6/PP/Doc/Makefile\nq-e-qe-7.6/PP/Doc/eps_man.tex\nq-e-qe-7.6/PP/Doc/user_guide.tex\nq-e-qe-7.6/PP/Makefile\nq-e-qe-7.6/PP/examples/\nq-e-qe-7.6/PP/examples/ACF_example/\nq-e-qe-7.6/PP/examples/ACF_example/README\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/atoms.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/atoms.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_fock.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_fock.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_plot.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_plot.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_scale.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_pbe/ppacf_scale.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/atoms.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/atoms.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/atoms_ppacf.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_fock.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_fock.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_plot.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_plot.out\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_scale.in\nq-e-qe-7.6/PP/examples/ACF_example/reference_vdw-df-cx/ppacf_scale.out\nq-e-qe-7.6/PP/examples/ACF_example/run_example\nq-e-qe-7.6/PP/examples/BGW_example/\nq-e-qe-7.6/PP/examples/BGW_example/README\nq-e-qe-7.6/PP/examples/BGW_example/references/\nq-e-qe-7.6/PP/examples/BGW_example/references/si.pw2bgw.in\nq-e-qe-7.6/PP/examples/BGW_example/references/si.pw2bgw.out\nq-e-qe-7.6/PP/examples/BGW_example/references/si.scf.in\nq-e-qe-7.6/PP/examples/BGW_example/references/si.scf.out\nq-e-qe-7.6/PP/examples/BGW_example/references/vxc.dat\nq-e-qe-7.6/PP/examples/BGW_example/references/vxc0.dat\nq-e-qe-7.6/PP/examples/BGW_example/run_example\nq-e-qe-7.6/PP/examples/CLS_FS_example/\nq-e-qe-7.6/PP/examples/CLS_FS_example/README\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/final-state.txt\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/rh011bulk.scf.out\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/rh011layer1.scf.out\nq-e-qe-7.6/PP/examples/CLS_FS_example/reference/rh011surf.scf.out\nq-e-qe-7.6/PP/examples/CLS_FS_example/run_example\nq-e-qe-7.6/PP/examples/CLS_IS_example/\nq-e-qe-7.6/PP/examples/CLS_IS_example/README\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/initial-state.txt\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/rh011slab.istate.out\nq-e-qe-7.6/PP/examples/CLS_IS_example/reference/rh011slab.scf.out\nq-e-qe-7.6/PP/examples/CLS_IS_example/run_example\nq-e-qe-7.6/PP/examples/ForceTheorem_example/\nq-e-qe-7.6/PP/examples/ForceTheorem_example/README\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/eband_par.dat\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/eband_per.dat\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/par.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/per.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/proj_par.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/proj_per.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/reference/sr.out\nq-e-qe-7.6/PP/examples/ForceTheorem_example/run_example\nq-e-qe-7.6/PP/examples/MolDos_example/\nq-e-qe-7.6/PP/examples/MolDos_example/README\nq-e-qe-7.6/PP/examples/MolDos_example/reference/\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.bands.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.k.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/H2.scf.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.bands.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.k.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.projwfc.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2.scf.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2_onto_H2.k.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/chainH2_onto_H2.out\nq-e-qe-7.6/PP/examples/MolDos_example/reference/gnuplot.tmp\nq-e-qe-7.6/PP/examples/MolDos_example/reference/project_chainH2_onto_H2.ps\nq-e-qe-7.6/PP/examples/MolDos_example/run_example\nq-e-qe-7.6/PP/examples/README\nq-e-qe-7.6/PP/examples/W90_open_grid_example/\nq-e-qe-7.6/PP/examples/W90_open_grid_example/README\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.lib.win\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.openg.sa.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.openg.sa.out\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.lib.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.sa.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.pw2wan.sa.out\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.eig\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.nnkp\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.win\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.sa.wout\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.scf.in\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/diamond.scf.out\nq-e-qe-7.6/PP/examples/W90_open_grid_example/reference/k_points.txt\nq-e-qe-7.6/PP/examples/W90_open_grid_example/run_example\nq-e-qe-7.6/PP/examples/WAN90_example/\nq-e-qe-7.6/PP/examples/WAN90_example/README\nq-e-qe-7.6/PP/examples/WAN90_example/reference/\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.lib.win\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.lib.wout\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.nscf.out\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.pw2wan.lib.out\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.pw2wan.sa.out\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.eig\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.nnkp\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.win\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.sa.wout\nq-e-qe-7.6/PP/examples/WAN90_example/reference/diamond.scf.out\nq-e-qe-7.6/PP/examples/WAN90_example/run_example\nq-e-qe-7.6/PP/examples/WannierHam_example/\nq-e-qe-7.6/PP/examples/WannierHam_example/README\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/NiO.nscf.out\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/NiO.scf.out\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/hamilt.gz\nq-e-qe-7.6/PP/examples/WannierHam_example/reference/wannier_hamilt.out\nq-e-qe-7.6/PP/examples/WannierHam_example/run_example\nq-e-qe-7.6/PP/examples/WorkFct_example/\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.avg.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.avg.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.pp.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al.bulkref.pp.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.avg.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.avg.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.pot\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.pp.in\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.pp.out\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.wf.data\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Al100.wf.eps\nq-e-qe-7.6/PP/examples/WorkFct_example/reference/Albulkrefpot\nq-e-qe-7.6/PP/examples/WorkFct_example/run_example\nq-e-qe-7.6/PP/examples/clean_all\nq-e-qe-7.6/PP/examples/dipole_example/\nq-e-qe-7.6/PP/examples/dipole_example/README\nq-e-qe-7.6/PP/examples/dipole_example/reference/\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.avg.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.eps\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.pp.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.pp.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.scf.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.scf.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/ni+co.vpot-z\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.avg.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.eps\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.pp.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.pp.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.scf.in\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.scf.out\nq-e-qe-7.6/PP/examples/dipole_example/reference/water.vpot-z\nq-e-qe-7.6/PP/examples/dipole_example/run_example\nq-e-qe-7.6/PP/examples/example01/\nq-e-qe-7.6/PP/examples/example01/README\nq-e-qe-7.6/PP/examples/example01/reference/\nq-e-qe-7.6/PP/examples/example01/reference/si.band.out\nq-e-qe-7.6/PP/examples/example01/reference/si.bands.out\nq-e-qe-7.6/PP/examples/example01/reference/si.plotband.out\nq-e-qe-7.6/PP/examples/example01/reference/si.plotrho.out\nq-e-qe-7.6/PP/examples/example01/reference/si.pp_rho.out\nq-e-qe-7.6/PP/examples/example01/reference/si.rho.dat\nq-e-qe-7.6/PP/examples/example01/reference/si.rho.ps\nq-e-qe-7.6/PP/examples/example01/reference/si.scf.out\nq-e-qe-7.6/PP/examples/example01/reference/sibands.dat\nq-e-qe-7.6/PP/examples/example01/reference/sibands.dat.rap\nq-e-qe-7.6/PP/examples/example01/reference/sibands.ps\nq-e-qe-7.6/PP/examples/example01/reference/sicharge\nq-e-qe-7.6/PP/examples/example01/run_example\nq-e-qe-7.6/PP/examples/example02/\nq-e-qe-7.6/PP/examples/example02/README\nq-e-qe-7.6/PP/examples/example02/reference/\nq-e-qe-7.6/PP/examples/example02/reference/FS.in\nq-e-qe-7.6/PP/examples/example02/reference/FS.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos2.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.dos2.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_NSP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_NSP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_SP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.fs_SP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos_atm#1(Ni)_wfc#1(s)\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos_atm#1(Ni)_wfc#2(d)\nq-e-qe-7.6/PP/examples/example02/reference/ni.pdos_tot\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf0.NSP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf0.SP.out\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf_NSP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni.scf_SP.in\nq-e-qe-7.6/PP/examples/example02/reference/ni_fs.bxsf\nq-e-qe-7.6/PP/examples/example02/reference/ni_fsdw.bxsf\nq-e-qe-7.6/PP/examples/example02/reference/ni_fsup.bxsf\nq-e-qe-7.6/PP/examples/example02/run_example\nq-e-qe-7.6/PP/examples/example03/\nq-e-qe-7.6/PP/examples/example03/README\nq-e-qe-7.6/PP/examples/example03/reference/\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110+1.0eV.ps\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110-1.0eV.ps\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.box.projwfc.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.box.projwfc.ps\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.ldos_boxes\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.pp_stm+.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110.pp_stm-.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110re.nonscf.out\nq-e-qe-7.6/PP/examples/example03/reference/AlAs110re.scf.out\nq-e-qe-7.6/PP/examples/example03/run_example\nq-e-qe-7.6/PP/examples/example04/\nq-e-qe-7.6/PP/examples/example04/README\nq-e-qe-7.6/PP/examples/example04/reference/\nq-e-qe-7.6/PP/examples/example04/reference/pt.bands.out\nq-e-qe-7.6/PP/examples/example04/reference/pt.nscf.out\nq-e-qe-7.6/PP/examples/example04/reference/pt.pdos.out\nq-e-qe-7.6/PP/examples/example04/reference/pt.scf.out\nq-e-qe-7.6/PP/examples/example04/run_example\nq-e-qe-7.6/PP/examples/example05/\nq-e-qe-7.6/PP/examples/example05/README\nq-e-qe-7.6/PP/examples/example05/reference/\nq-e-qe-7.6/PP/examples/example05/reference/feo_LDA.in\nq-e-qe-7.6/PP/examples/example05/reference/feo_wannier.in\nq-e-qe-7.6/PP/examples/example05/reference/pmw.in\nq-e-qe-7.6/PP/examples/example05/run_example\nq-e-qe-7.6/PP/examples/example06/\nq-e-qe-7.6/PP/examples/example06/README\nq-e-qe-7.6/PP/examples/example06/reference/\nq-e-qe-7.6/PP/examples/example06/reference/Fe.band_pbe.out\nq-e-qe-7.6/PP/examples/example06/reference/Fe.bands.out\nq-e-qe-7.6/PP/examples/example06/reference/Fe.scf_pbe.out\nq-e-qe-7.6/PP/examples/example06/reference/fe.bands.ps\nq-e-qe-7.6/PP/examples/example06/reference/plotband.out\nq-e-qe-7.6/PP/examples/example06/run_example\nq-e-qe-7.6/PP/examples/example07/\nq-e-qe-7.6/PP/examples/example07/README\nq-e-qe-7.6/PP/examples/example07/reference1/\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.nscf.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.pw2wan.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.scf-wan.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.scf.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.wan2pw.in\nq-e-qe-7.6/PP/examples/example07/reference1/TiO2.win\nq-e-qe-7.6/PP/examples/example07/reference2/\nq-e-qe-7.6/PP/examples/example07/reference2/MnO.nscf.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO.scf-wan.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO.scf.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_down.pw2wan.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_down.wan2pw.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_down.win\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_up.pw2wan.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_up.wan2pw.in\nq-e-qe-7.6/PP/examples/example07/reference2/MnO_up.win\nq-e-qe-7.6/PP/examples/example07/run_example1\nq-e-qe-7.6/PP/examples/example07/run_example2\nq-e-qe-7.6/PP/examples/example08/\nq-e-qe-7.6/PP/examples/example08/README\nq-e-qe-7.6/PP/examples/example08/reference/\nq-e-qe-7.6/PP/examples/example08/reference/TiO2.pp.in\nq-e-qe-7.6/PP/examples/example08/reference/TiO2.scf.in\nq-e-qe-7.6/PP/examples/example08/run_example\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/README\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier-diff.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/log.pbe0.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/out.fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/out.fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe0_fourier/pbe0.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier-diff.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/log.pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/out.fourier-diff.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/out.fourier.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_fourier/pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw-sphere.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw-sphere.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/idw.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/log.pbe.scf.nosym.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/out.idw-sphere.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/out.idw.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_idw/pbe.scf.nosym.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/filexml.tar.gz\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.bands.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.nscf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.pp.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/log.pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat.gnu\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.dat.rap\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.bands.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.nscf.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.pp.in\nq-e-qe-7.6/PP/examples/exx_interpolated_bands_example/pbe_reference_bands/pbe.scf.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/README\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/bands.dat\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.bands.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.bands.out\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.plotband.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.plotband.out\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.scf.in\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/si.scf.out\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/sibands-p.dat\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/sibands.dat\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/reference/sibands.dat.gnu\nq-e-qe-7.6/PP/examples/exx_scf_bands_example/run_example\nq-e-qe-7.6/PP/examples/fermisurf_example/\nq-e-qe-7.6/PP/examples/fermisurf_example/README\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/FS_b2pz.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/FS_vf.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/b2pz.frmsf\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#1(Mg)_wfc#1(s)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#1(Mg)_wfc#2(p)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#2(B)_wfc#1(s)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#2(B)_wfc#2(p)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#3(B)_wfc#1(s)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_atm#3(B)_wfc#2(p)\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.pdos_tot\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.proj.in\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.proj.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.scf.in\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/mgb2.scf.out\nq-e-qe-7.6/PP/examples/fermisurf_example/reference/vfermi.frmsf\nq-e-qe-7.6/PP/examples/fermisurf_example/run_example\nq-e-qe-7.6/PP/examples/projected_bands_example/\nq-e-qe-7.6/PP/examples/projected_bands_example/README\nq-e-qe-7.6/PP/examples/projected_bands_example/projwfc_to_bands.awk\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/ni.kpdos_dw.png\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/ni.kpdos_up.png\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/pt.s-bands.png\nq-e-qe-7.6/PP/examples/projected_bands_example/reference/silicene.projbands.png\nq-e-qe-7.6/PP/examples/projected_bands_example/run_example\nq-e-qe-7.6/PP/examples/pw2gw_example/\nq-e-qe-7.6/PP/examples/pw2gw_example/README\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/bn.nscf.out.xz\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/bn.pw2gw.out.xz\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/bn.scf.out\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsTOT.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsX.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsY.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/epsZ.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/k.dat\nq-e-qe-7.6/PP/examples/pw2gw_example/reference/matrixelements.xz\nq-e-qe-7.6/PP/examples/pw2gw_example/run_example\nq-e-qe-7.6/PP/examples/run_all_examples\nq-e-qe-7.6/PP/simple_transport/\nq-e-qe-7.6/PP/simple_transport/README\nq-e-qe-7.6/PP/simple_transport/examples/\nq-e-qe-7.6/PP/simple_transport/examples/eg_ef/\nq-e-qe-7.6/PP/simple_transport/examples/eg_ef/out.32\nq-e-qe-7.6/PP/simple_transport/examples/eg_ef/run_ef\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/README\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/Def_0.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/Se_0.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/reference/sig_0.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_0/run_0\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/README\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/dop_vs_ef\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+18.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+19.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+20.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Def.1e+21.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+18.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+19.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+20.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/Se.1e+21.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+18\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+19\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+20\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/report.1e+21\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+18.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+19.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+20.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/reference/sig.1e+21.out\nq-e-qe-7.6/PP/simple_transport/examples/eg_fermi_int_1/run_1\nq-e-qe-7.6/PP/simple_transport/examples/scf/\nq-e-qe-7.6/PP/simple_transport/examples/scf/As.pbe-n-kjpaw_psl.0.2.upf\nq-e-qe-7.6/PP/simple_transport/examples/scf/Ga.pbe-dn-kjpaw_psl.0.2.upf\nq-e-qe-7.6/PP/simple_transport/examples/scf/info-q\nq-e-qe-7.6/PP/simple_transport/examples/scf/reference/\nq-e-qe-7.6/PP/simple_transport/examples/scf/reference/GaAs.32.a2Fsave\nq-e-qe-7.6/PP/simple_transport/examples/scf/reference/GaAs.scf.out\nq-e-qe-7.6/PP/simple_transport/examples/scf/run_GaAs_scf\nq-e-qe-7.6/PP/simple_transport/src/\nq-e-qe-7.6/PP/simple_transport/src/Makefile\nq-e-qe-7.6/PP/simple_transport/src/cryst_to_car.f90\nq-e-qe-7.6/PP/simple_transport/src/dos.f90\nq-e-qe-7.6/PP/simple_transport/src/ef.f90\nq-e-qe-7.6/PP/simple_transport/src/fermi_int_0.f90\nq-e-qe-7.6/PP/simple_transport/src/fermi_int_1.f90\nq-e-qe-7.6/PP/simple_transport/src/lint.f90\nq-e-qe-7.6/PP/simple_transport/src/reducegrid.f90\nq-e-qe-7.6/PP/simple_transport/src/smearing_mod.f90\nq-e-qe-7.6/PP/simple_transport/src/vband_ibz.f90\nq-e-qe-7.6/PP/src/\nq-e-qe-7.6/PP/src/Makefile\nq-e-qe-7.6/PP/src/add_shift_cc.f90\nq-e-qe-7.6/PP/src/add_shift_lc.f90\nq-e-qe-7.6/PP/src/add_shift_us.f90\nq-e-qe-7.6/PP/src/adduscore.f90\nq-e-qe-7.6/PP/src/addusdens1d.f90\nq-e-qe-7.6/PP/src/average.f90\nq-e-qe-7.6/PP/src/band_interpolation.f90\nq-e-qe-7.6/PP/src/bands.f90\nq-e-qe-7.6/PP/src/bgw2pw.f90.orig\nq-e-qe-7.6/PP/src/chdens_bspline.f90\nq-e-qe-7.6/PP/src/chdens_bspline_sphere.f90\nq-e-qe-7.6/PP/src/chdens_module.f90\nq-e-qe-7.6/PP/src/compute_ppsi.f90\nq-e-qe-7.6/PP/src/compute_sigma_avg.f90\nq-e-qe-7.6/PP/src/cube.f90\nq-e-qe-7.6/PP/src/d3hess.f90\nq-e-qe-7.6/PP/src/d_matrix_nc.f90\nq-e-qe-7.6/PP/src/d_matrix_so.f90\nq-e-qe-7.6/PP/src/do_initial_state.f90\nq-e-qe-7.6/PP/src/do_shift_ew.f90\nq-e-qe-7.6/PP/src/dos.f90\nq-e-qe-7.6/PP/src/dosg.f90\nq-e-qe-7.6/PP/src/elf.f90\nq-e-qe-7.6/PP/src/epsilon.f90\nq-e-qe-7.6/PP/src/fermi_proj.f90\nq-e-qe-7.6/PP/src/fermi_velocity.f90\nq-e-qe-7.6/PP/src/fermisurface.f90\nq-e-qe-7.6/PP/src/fermisurfer_common.f90\nq-e-qe-7.6/PP/src/fft_interpolation_mod.f90\nq-e-qe-7.6/PP/src/fouriermod.f90\nq-e-qe-7.6/PP/src/ggen1d.f90\nq-e-qe-7.6/PP/src/globalmod.f90\nq-e-qe-7.6/PP/src/hubbard_projectors.f90\nq-e-qe-7.6/PP/src/idwmod.f90\nq-e-qe-7.6/PP/src/initial_state.f90\nq-e-qe-7.6/PP/src/lebedev.f90\nq-e-qe-7.6/PP/src/local_dos.f90\nq-e-qe-7.6/PP/src/local_dos1d.f90\nq-e-qe-7.6/PP/src/local_dos_mag.f90\nq-e-qe-7.6/PP/src/molecularpdos.f90\nq-e-qe-7.6/PP/src/open_grid.f90\nq-e-qe-7.6/PP/src/openfil_pp.f90\nq-e-qe-7.6/PP/src/oscdft_et.f90\nq-e-qe-7.6/PP/src/oscdft_et_mod.f90\nq-e-qe-7.6/PP/src/oscdft_pp.f90\nq-e-qe-7.6/PP/src/oscdft_pp_mod.f90\nq-e-qe-7.6/PP/src/partialdos.f90\nq-e-qe-7.6/PP/src/paw_postproc.f90\nq-e-qe-7.6/PP/src/pawplot.f90\nq-e-qe-7.6/PP/src/plan_avg.f90\nq-e-qe-7.6/PP/src/plotband.f90\nq-e-qe-7.6/PP/src/plotproj.f90\nq-e-qe-7.6/PP/src/plotrho.f90\nq-e-qe-7.6/PP/src/poormanwannier.f90\nq-e-qe-7.6/PP/src/postproc.f90\nq-e-qe-7.6/PP/src/postrism.f90\nq-e-qe-7.6/PP/src/pp_example.f90\nq-e-qe-7.6/PP/src/ppacf.f90\nq-e-qe-7.6/PP/src/projections_mod.f90\nq-e-qe-7.6/PP/src/projwfc.f90\nq-e-qe-7.6/PP/src/projwfc_box.f90\nq-e-qe-7.6/PP/src/punch_plot.f90\nq-e-qe-7.6/PP/src/punch_rism.f90\nq-e-qe-7.6/PP/src/pw2bgw.f90\nq-e-qe-7.6/PP/src/pw2critic.f90\nq-e-qe-7.6/PP/src/pw2gt.f90\nq-e-qe-7.6/PP/src/pw2gw.f90\nq-e-qe-7.6/PP/src/pw2wannier90.f90\nq-e-qe-7.6/PP/src/read_proj.f90\nq-e-qe-7.6/PP/src/smallgk.f90\nq-e-qe-7.6/PP/src/solvdens.f90\nq-e-qe-7.6/PP/src/stm.f90\nq-e-qe-7.6/PP/src/stop_pp.f90\nq-e-qe-7.6/PP/src/sum_band_kin.f90\nq-e-qe-7.6/PP/src/sumpdos.f90\nq-e-qe-7.6/PP/src/sym_band.f90\nq-e-qe-7.6/PP/src/vasp_read_chgcar_mod.f90\nq-e-qe-7.6/PP/src/vasp_xml_module.f90\nq-e-qe-7.6/PP/src/wannier2pw.f90\nq-e-qe-7.6/PP/src/wannier_enrg.f90\nq-e-qe-7.6/PP/src/wannier_ham.f90\nq-e-qe-7.6/PP/src/wannier_mod.f90\nq-e-qe-7.6/PP/src/wannier_plot.f90\nq-e-qe-7.6/PP/src/wannier_proj.f90\nq-e-qe-7.6/PP/src/wfck2r.f90\nq-e-qe-7.6/PP/src/work_function.f90\nq-e-qe-7.6/PP/src/write_hamiltonians.f90\nq-e-qe-7.6/PP/src/write_io_header.f90\nq-e-qe-7.6/PP/src/write_p_avg.f90\nq-e-qe-7.6/PP/src/write_proj.f90\nq-e-qe-7.6/PP/src/xc_vdW_scale_mod.f90\nq-e-qe-7.6/PP/tools/\nq-e-qe-7.6/PP/tools/sum_states.py\nq-e-qe-7.6/PW/\nq-e-qe-7.6/PW/CMakeLists.txt\nq-e-qe-7.6/PW/Doc/\nq-e-qe-7.6/PW/Doc/INPUT_OSCDFT.def\nq-e-qe-7.6/PW/Doc/INPUT_PW.def\nq-e-qe-7.6/PW/Doc/Makefile\nq-e-qe-7.6/PW/Doc/user_guide.tex\nq-e-qe-7.6/PW/Ford.md\nq-e-qe-7.6/PW/Ford/\nq-e-qe-7.6/PW/Ford/index.md\nq-e-qe-7.6/PW/Makefile\nq-e-qe-7.6/PW/examples/\nq-e-qe-7.6/PW/examples/ESM_example/\nq-e-qe-7.6/PW/examples/ESM_example/README\nq-e-qe-7.6/PW/examples/ESM_example/reference/\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc1.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc1.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc1.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_FCP_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_GCSCF_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_efield.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_efield.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc2_efield.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_FCP_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_v00.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vm05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_GCSCF_vp05.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_m002.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_m002.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_m002.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_p002.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_p002.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_bc3_p002.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_pbc.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_pbc.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/Al001_pbc.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_bc1.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_bc1.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_bc1.xml\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_pbc.esm1\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_pbc.out\nq-e-qe-7.6/PW/examples/ESM_example/reference/H2O_pbc.xml\nq-e-qe-7.6/PW/examples/ESM_example/run_example\nq-e-qe-7.6/PW/examples/ESM_example/run_example_ESM\nq-e-qe-7.6/PW/examples/ESM_example/run_example_FCP\nq-e-qe-7.6/PW/examples/ESM_example/run_example_GCSCF\nq-e-qe-7.6/PW/examples/EXX_example/\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/CPBE085nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/CPBE1nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/NPBE085nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/NPBE1nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/OPBE085nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/Pseudo/OPBE1nlcc.RRKJ3\nq-e-qe-7.6/PW/examples/EXX_example/README\nq-e-qe-7.6/PW/examples/EXX_example/README.gaupbe\nq-e-qe-7.6/PW/examples/EXX_example/reference/\nq-e-qe-7.6/PW/examples/EXX_example/reference/c.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/c.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/c.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/co.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/co.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/co.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n2.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n2.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/n2.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o2.gaupbe.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o2.hse.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/o2.pbe0.1nlcc.out-80\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.PBE0_nq=1.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.PBE0_nq=2.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.PBE0_nq=4.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.gaupbe_nq=1.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.gaupbe_nq=2.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.gaupbe_nq=4.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.hse_nq=1.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.hse_nq=2.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/si.hse_nq=4.out\nq-e-qe-7.6/PW/examples/EXX_example/reference/summarize\nq-e-qe-7.6/PW/examples/EXX_example/run_example\nq-e-qe-7.6/PW/examples/Extffield_example/\nq-e-qe-7.6/PW/examples/Extffield_example/README\nq-e-qe-7.6/PW/examples/Extffield_example/reference/\nq-e-qe-7.6/PW/examples/Extffield_example/reference/SiH4.extffield\nq-e-qe-7.6/PW/examples/Extffield_example/reference/SiH4.inp\nq-e-qe-7.6/PW/examples/Extffield_example/reference/SiH4.out\nq-e-qe-7.6/PW/examples/Extffield_example/reference/extffield.dat\nq-e-qe-7.6/PW/examples/Extffield_example/run_example\nq-e-qe-7.6/PW/examples/README\nq-e-qe-7.6/PW/examples/RISM_example/\nq-e-qe-7.6/PW/examples/RISM_example/MOL/\nq-e-qe-7.6/PW/examples/RISM_example/MOL/Cl-.aq.MOL\nq-e-qe-7.6/PW/examples/RISM_example/MOL/Ethanol.oplsua.MOL\nq-e-qe-7.6/PW/examples/RISM_example/MOL/H2O.spc.MOL\nq-e-qe-7.6/PW/examples/RISM_example/MOL/Na+.aq.MOL\nq-e-qe-7.6/PW/examples/RISM_example/README\nq-e-qe-7.6/PW/examples/RISM_example/reference/\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.esm1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.rism1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Al-NaCl_aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.esm1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.rism1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Cl-_NaCl_aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/H2O.NaCl_aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/H2O.NaCl_aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/H2O.NaCl_aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/HCHO.aq.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/HCHO.aq.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/HCHO.aq.xml\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.1drism\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.esm1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.out\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.rism1\nq-e-qe-7.6/PW/examples/RISM_example/reference/Li-EtOH.xml\nq-e-qe-7.6/PW/examples/RISM_example/run_example\nq-e-qe-7.6/PW/examples/RISM_example/run_example_3D-RISM\nq-e-qe-7.6/PW/examples/RISM_example/run_example_ESM-RISM\nq-e-qe-7.6/PW/examples/VCSexample/\nq-e-qe-7.6/PW/examples/VCSexample/README\nq-e-qe-7.6/PW/examples/VCSexample/reference/\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.bfgs00.out\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.bfgs500.out\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.vcs00.out\nq-e-qe-7.6/PW/examples/VCSexample/reference/As.vcs500.out\nq-e-qe-7.6/PW/examples/VCSexample/run_example\nq-e-qe-7.6/PW/examples/clean_all\nq-e-qe-7.6/PW/examples/cluster_example/\nq-e-qe-7.6/PW/examples/cluster_example/README\nq-e-qe-7.6/PW/examples/cluster_example/reference/\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.eigenvalues\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-12\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-16\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-20\nq-e-qe-7.6/PW/examples/cluster_example/reference/h2o.out-24\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.eigenvalues\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-12\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-16\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-20\nq-e-qe-7.6/PW/examples/cluster_example/reference/n.out-24\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.eigenvalues\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-12\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-16\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-20\nq-e-qe-7.6/PW/examples/cluster_example/reference/nh4+.out-24\nq-e-qe-7.6/PW/examples/cluster_example/run_example\nq-e-qe-7.6/PW/examples/dftd3_example/\nq-e-qe-7.6/PW/examples/dftd3_example/reference/\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d2.in\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d2.out\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d3.in\nq-e-qe-7.6/PW/examples/dftd3_example/reference/graphite_d3.out\nq-e-qe-7.6/PW/examples/dftd3_example/run_example\nq-e-qe-7.6/PW/examples/example01/\nq-e-qe-7.6/PW/examples/example01/README\nq-e-qe-7.6/PW/examples/example01/reference/\nq-e-qe-7.6/PW/examples/example01/reference/al.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/al.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/al.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/al.scf.david.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/cu.scf.david.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/ni.scf.david.out\nq-e-qe-7.6/PW/examples/example01/reference/si.band.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/si.band.david.out\nq-e-qe-7.6/PW/examples/example01/reference/si.scf.cg.out\nq-e-qe-7.6/PW/examples/example01/reference/si.scf.david.out\nq-e-qe-7.6/PW/examples/example01/run_example\nq-e-qe-7.6/PW/examples/example02/\nq-e-qe-7.6/PW/examples/example02/README\nq-e-qe-7.6/PW/examples/example02/reference/\nq-e-qe-7.6/PW/examples/example02/reference/al001.mm.out\nq-e-qe-7.6/PW/examples/example02/reference/al001.rx.out\nq-e-qe-7.6/PW/examples/example02/reference/co.rx.out\nq-e-qe-7.6/PW/examples/example02/run_example\nq-e-qe-7.6/PW/examples/example03/\nq-e-qe-7.6/PW/examples/example03/README\nq-e-qe-7.6/PW/examples/example03/reference/\nq-e-qe-7.6/PW/examples/example03/reference/si.md2.out\nq-e-qe-7.6/PW/examples/example03/reference/si.md2_G3X.out\nq-e-qe-7.6/PW/examples/example03/reference/si.md8.out\nq-e-qe-7.6/PW/examples/example03/run_example\nq-e-qe-7.6/PW/examples/example04/\nq-e-qe-7.6/PW/examples/example04/README\nq-e-qe-7.6/PW/examples/example04/reference/\nq-e-qe-7.6/PW/examples/example04/reference/BP.out\nq-e-qe-7.6/PW/examples/example04/reference/chg.out\nq-e-qe-7.6/PW/examples/example04/run_example\nq-e-qe-7.6/PW/examples/example05/\nq-e-qe-7.6/PW/examples/example05/README\nq-e-qe-7.6/PW/examples/example05/reference/\nq-e-qe-7.6/PW/examples/example05/reference/Ni_gamma_d8s2.out\nq-e-qe-7.6/PW/examples/example05/reference/Ni_gamma_d9s1.out\nq-e-qe-7.6/PW/examples/example05/reference/O.out\nq-e-qe-7.6/PW/examples/example05/reference/O_gamma.out\nq-e-qe-7.6/PW/examples/example05/reference/al.out\nq-e-qe-7.6/PW/examples/example05/run_example\nq-e-qe-7.6/PW/examples/example06/\nq-e-qe-7.6/PW/examples/example06/README\nq-e-qe-7.6/PW/examples/example06/reference/\nq-e-qe-7.6/PW/examples/example06/reference/cu.band.out\nq-e-qe-7.6/PW/examples/example06/reference/cu.cg.out\nq-e-qe-7.6/PW/examples/example06/reference/cu.scf.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.angl.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.band.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.pen.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.scf.out\nq-e-qe-7.6/PW/examples/example06/reference/fe.total.out\nq-e-qe-7.6/PW/examples/example06/reference/ni.band.out\nq-e-qe-7.6/PW/examples/example06/reference/ni.scf.out\nq-e-qe-7.6/PW/examples/example06/reference/o2.relax.out\nq-e-qe-7.6/PW/examples/example06/run_example\nq-e-qe-7.6/PW/examples/example07/\nq-e-qe-7.6/PW/examples/example07/README\nq-e-qe-7.6/PW/examples/example07/reference/\nq-e-qe-7.6/PW/examples/example07/reference/bands.pt.re\nq-e-qe-7.6/PW/examples/example07/reference/pt.nscf.out\nq-e-qe-7.6/PW/examples/example07/reference/pt.scf.out\nq-e-qe-7.6/PW/examples/example07/run_example\nq-e-qe-7.6/PW/examples/example08/\nq-e-qe-7.6/PW/examples/example08/README\nq-e-qe-7.6/PW/examples/example08/reference/\nq-e-qe-7.6/PW/examples/example08/reference/feo_LDA.in\nq-e-qe-7.6/PW/examples/example08/reference/feo_standard.in\nq-e-qe-7.6/PW/examples/example08/reference/feo_user_ns.in\nq-e-qe-7.6/PW/examples/example08/run_example\nq-e-qe-7.6/PW/examples/example09/\nq-e-qe-7.6/PW/examples/example09/README\nq-e-qe-7.6/PW/examples/example09/reference/\nq-e-qe-7.6/PW/examples/example09/reference/c4h6.pw.metaGGA.out\nq-e-qe-7.6/PW/examples/example09/run_example\nq-e-qe-7.6/PW/examples/example10/\nq-e-qe-7.6/PW/examples/example10/README\nq-e-qe-7.6/PW/examples/example10/reference/\nq-e-qe-7.6/PW/examples/example10/reference/alas.scf.efield.out\nq-e-qe-7.6/PW/examples/example10/reference/alas.scf.efield2.out\nq-e-qe-7.6/PW/examples/example10/reference/si.scf.efield.out\nq-e-qe-7.6/PW/examples/example10/reference/si.scf.efield2.out\nq-e-qe-7.6/PW/examples/example10/run_example\nq-e-qe-7.6/PW/examples/example11/\nq-e-qe-7.6/PW/examples/example11/README\nq-e-qe-7.6/PW/examples/example11/reference/\nq-e-qe-7.6/PW/examples/example11/reference/Fe.band_pbe.out\nq-e-qe-7.6/PW/examples/example11/reference/Fe.scf_pbe.out\nq-e-qe-7.6/PW/examples/example11/run_example\nq-e-qe-7.6/PW/examples/example12/\nq-e-qe-7.6/PW/examples/example12/README\nq-e-qe-7.6/PW/examples/example12/reference/\nq-e-qe-7.6/PW/examples/example12/reference/Fe.bands.in\nq-e-qe-7.6/PW/examples/example12/reference/Fe.bands.out\nq-e-qe-7.6/PW/examples/example12/reference/Fe.scf.in\nq-e-qe-7.6/PW/examples/example12/reference/Fe.scf.out\nq-e-qe-7.6/PW/examples/example12/run_example\nq-e-qe-7.6/PW/examples/example13/\nq-e-qe-7.6/PW/examples/example13/reference/\nq-e-qe-7.6/PW/examples/example13/reference/LiCoO2.scf.in\nq-e-qe-7.6/PW/examples/example13/reference/LiCoO2.scf.out\nq-e-qe-7.6/PW/examples/example13/run_example\nq-e-qe-7.6/PW/examples/example14/\nq-e-qe-7.6/PW/examples/example14/README\nq-e-qe-7.6/PW/examples/example14/reference/\nq-e-qe-7.6/PW/examples/example14/reference/srvo3.dmft_scf.out\nq-e-qe-7.6/PW/examples/example14/reference/srvo3.nscf.out\nq-e-qe-7.6/PW/examples/example14/reference/srvo3.scf.out\nq-e-qe-7.6/PW/examples/example14/run_example\nq-e-qe-7.6/PW/examples/example14/srvo3_dmft.h5\nq-e-qe-7.6/PW/examples/example15/\nq-e-qe-7.6/PW/examples/example15/README\nq-e-qe-7.6/PW/examples/example15/reference1/\nq-e-qe-7.6/PW/examples/example15/reference1/FeO.scf.in\nq-e-qe-7.6/PW/examples/example15/reference1/oscdft.in\nq-e-qe-7.6/PW/examples/example15/reference2/\nq-e-qe-7.6/PW/examples/example15/reference2/FeO.scf.in\nq-e-qe-7.6/PW/examples/example15/reference2/oscdft.in\nq-e-qe-7.6/PW/examples/example15/run1\nq-e-qe-7.6/PW/examples/example15/run2\nq-e-qe-7.6/PW/examples/example16/\nq-e-qe-7.6/PW/examples/example16/README\nq-e-qe-7.6/PW/examples/example16/reference/\nq-e-qe-7.6/PW/examples/example16/reference/LiCoO2.scf.1.in\nq-e-qe-7.6/PW/examples/example16/reference/LiCoO2.scf.2.in\nq-e-qe-7.6/PW/examples/example16/run_example\nq-e-qe-7.6/PW/examples/example17/\nq-e-qe-7.6/PW/examples/example17/README\nq-e-qe-7.6/PW/examples/example17/reference/\nq-e-qe-7.6/PW/examples/example17/reference/LiCoO2.scf.in\nq-e-qe-7.6/PW/examples/example17/run_example\nq-e-qe-7.6/PW/examples/gammaDFT_example/\nq-e-qe-7.6/PW/examples/gammaDFT_example/README\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/MgO_1.in\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/MgO_2.in\nq-e-qe-7.6/PW/examples/gammaDFT_example/reference/MgO_3.in\nq-e-qe-7.6/PW/examples/gammaDFT_example/run_example\nq-e-qe-7.6/PW/examples/gatefield/\nq-e-qe-7.6/PW/examples/gatefield/reference/\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.bands.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.bands.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.bands.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.bands.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_+0.10_nobarrier.out\nq-e-qe-7.6/PW/examples/gatefield/reference/single_-0.10.in\nq-e-qe-7.6/PW/examples/gatefield/reference/single_-0.10.out\nq-e-qe-7.6/PW/examples/gatefield/run_example\nq-e-qe-7.6/PW/examples/run_all_examples\nq-e-qe-7.6/PW/examples/vdwDF_example/\nq-e-qe-7.6/PW/examples/vdwDF_example/README\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/Ar.scf.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/graphite.scf.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference/water.scf.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/graphite.scf.+1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/graphite.scf.-1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/graphite.scf.0.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/water.scf.+1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/water.scf.-1.out\nq-e-qe-7.6/PW/examples/vdwDF_example/reference_dscf/water.scf.0.out\nq-e-qe-7.6/PW/examples/vdwDF_example/run_example\nq-e-qe-7.6/PW/examples/vdwDF_example/run_example_delta_scf\nq-e-qe-7.6/PW/src/\nq-e-qe-7.6/PW/src/Coul_cut_2D.f90\nq-e-qe-7.6/PW/src/Makefile\nq-e-qe-7.6/PW/src/a2fmod.f90\nq-e-qe-7.6/PW/src/acfdt_in_pw.f90\nq-e-qe-7.6/PW/src/add_bfield.f90\nq-e-qe-7.6/PW/src/add_dmft_occ.f90\nq-e-qe-7.6/PW/src/add_efield.f90\nq-e-qe-7.6/PW/src/add_gatefield.f90\nq-e-qe-7.6/PW/src/add_paw_to_deeq.f90\nq-e-qe-7.6/PW/src/add_paw_to_deeq_acc.f90\nq-e-qe-7.6/PW/src/add_qexsd_step.f90\nq-e-qe-7.6/PW/src/add_vhub_to_deeq.f90\nq-e-qe-7.6/PW/src/add_vhub_to_deeq_acc.f90\nq-e-qe-7.6/PW/src/add_vuspsi.f90\nq-e-qe-7.6/PW/src/add_vuspsi_acc.f90\nq-e-qe-7.6/PW/src/addusdens.f90\nq-e-qe-7.6/PW/src/addusforce.f90\nq-e-qe-7.6/PW/src/addusstress.f90\nq-e-qe-7.6/PW/src/allocate_fft.f90\nq-e-qe-7.6/PW/src/allocate_locpot.f90\nq-e-qe-7.6/PW/src/allocate_wfc.f90\nq-e-qe-7.6/PW/src/atomic_rho.f90\nq-e-qe-7.6/PW/src/atomic_wfc.f90\nq-e-qe-7.6/PW/src/atomic_wfc_mod.f90\nq-e-qe-7.6/PW/src/average_pp.f90\nq-e-qe-7.6/PW/src/beef.f90\nq-e-qe-7.6/PW/src/bp_c_phase.f90\nq-e-qe-7.6/PW/src/bp_mod.f90\nq-e-qe-7.6/PW/src/bp_strings.f90\nq-e-qe-7.6/PW/src/buffers.f90\nq-e-qe-7.6/PW/src/c_bands.f90\nq-e-qe-7.6/PW/src/c_phase_field.f90\nq-e-qe-7.6/PW/src/cdiagh.f90\nq-e-qe-7.6/PW/src/clean_pw.f90\nq-e-qe-7.6/PW/src/close_files.f90\nq-e-qe-7.6/PW/src/commutator_Hx_psi.f90\nq-e-qe-7.6/PW/src/commutator_Vhubx_psi.f90\nq-e-qe-7.6/PW/src/compute_becsum.f90\nq-e-qe-7.6/PW/src/compute_deff.f90\nq-e-qe-7.6/PW/src/compute_dip.f90\nq-e-qe-7.6/PW/src/compute_qdipol.f90\nq-e-qe-7.6/PW/src/compute_qdipol_so.f90\nq-e-qe-7.6/PW/src/compute_rho.f90\nq-e-qe-7.6/PW/src/compute_ux.f90\nq-e-qe-7.6/PW/src/d3hess_mod.f90\nq-e-qe-7.6/PW/src/d_matrix.f90\nq-e-qe-7.6/PW/src/data_structure.f90\nq-e-qe-7.6/PW/src/diag_direct.f90\nq-e-qe-7.6/PW/src/divide_class.f90\nq-e-qe-7.6/PW/src/divide_class_so.f90\nq-e-qe-7.6/PW/src/divide_et_impera.f90\nq-e-qe-7.6/PW/src/dynamics_module.f90\nq-e-qe-7.6/PW/src/efermig.f90\nq-e-qe-7.6/PW/src/efermit.f90\nq-e-qe-7.6/PW/src/electrons.f90\nq-e-qe-7.6/PW/src/environ_io_stub.f90\nq-e-qe-7.6/PW/src/environ_pw_module.f90\nq-e-qe-7.6/PW/src/eqvect.f90\nq-e-qe-7.6/PW/src/esm.f90\nq-e-qe-7.6/PW/src/esm_common_mod.f90\nq-e-qe-7.6/PW/src/esm_ewald_mod.f90\nq-e-qe-7.6/PW/src/esm_force_mod.f90\nq-e-qe-7.6/PW/src/esm_hartree_mod.f90\nq-e-qe-7.6/PW/src/esm_local_mod.f90\nq-e-qe-7.6/PW/src/esm_stres_mod.f90\nq-e-qe-7.6/PW/src/ewald.f90\nq-e-qe-7.6/PW/src/ewald_dipole.f90\nq-e-qe-7.6/PW/src/extfield.f90\nq-e-qe-7.6/PW/src/exx.f90\nq-e-qe-7.6/PW/src/exx_base.f90\nq-e-qe-7.6/PW/src/exx_bp.f90\nq-e-qe-7.6/PW/src/exx_bp_utils.f90\nq-e-qe-7.6/PW/src/exx_std.f90\nq-e-qe-7.6/PW/src/fcp_capacitance.f90\nq-e-qe-7.6/PW/src/fcp_dyn_calcavg.f90\nq-e-qe-7.6/PW/src/fcp_dyn_printavg.f90\nq-e-qe-7.6/PW/src/fcp_dynamics.f90\nq-e-qe-7.6/PW/src/fcp_hessian.f90\nq-e-qe-7.6/PW/src/fcp_input.f90\nq-e-qe-7.6/PW/src/fcp_module.f90\nq-e-qe-7.6/PW/src/fcp_relaxation.f90\nq-e-qe-7.6/PW/src/find_group.f90\nq-e-qe-7.6/PW/src/force_cc.f90\nq-e-qe-7.6/PW/src/force_corr.f90\nq-e-qe-7.6/PW/src/force_ew.f90\nq-e-qe-7.6/PW/src/force_hub.f90\nq-e-qe-7.6/PW/src/force_lc.f90\nq-e-qe-7.6/PW/src/force_us.f90\nq-e-qe-7.6/PW/src/forces.f90\nq-e-qe-7.6/PW/src/forces_bp_efield.f90\nq-e-qe-7.6/PW/src/g2_kin.f90\nq-e-qe-7.6/PW/src/g_psi.f90\nq-e-qe-7.6/PW/src/g_psi_mod.f90\nq-e-qe-7.6/PW/src/gcscf_input.f90\nq-e-qe-7.6/PW/src/gcscf_module.f90\nq-e-qe-7.6/PW/src/gen_at_dj.f90\nq-e-qe-7.6/PW/src/gen_at_dy.f90\nq-e-qe-7.6/PW/src/get_locals.f90\nq-e-qe-7.6/PW/src/gk_sort.f90\nq-e-qe-7.6/PW/src/gradcorr.f90\nq-e-qe-7.6/PW/src/gweights.f90\nq-e-qe-7.6/PW/src/h_epsi_her_apply.f90\nq-e-qe-7.6/PW/src/h_epsi_her_set.f90\nq-e-qe-7.6/PW/src/h_psi.f90\nq-e-qe-7.6/PW/src/h_psi_meta.f90\nq-e-qe-7.6/PW/src/hinit0.f90\nq-e-qe-7.6/PW/src/hinit1.f90\nq-e-qe-7.6/PW/src/hs_1psi.f90\nq-e-qe-7.6/PW/src/hs_psi.f90\nq-e-qe-7.6/PW/src/hubbard.f90\nq-e-qe-7.6/PW/src/init_ns.f90\nq-e-qe-7.6/PW/src/init_nsg.f90\nq-e-qe-7.6/PW/src/init_q_aeps.f90\nq-e-qe-7.6/PW/src/init_run.f90\nq-e-qe-7.6/PW/src/init_us_2.f90\nq-e-qe-7.6/PW/src/init_vloc.f90\nq-e-qe-7.6/PW/src/input.f90\nq-e-qe-7.6/PW/src/intersite_V.f90\nq-e-qe-7.6/PW/src/io_rho_xml.f90\nq-e-qe-7.6/PW/src/irreducible_BZ.f90\nq-e-qe-7.6/PW/src/iweights.f90\nq-e-qe-7.6/PW/src/kpoint_grid.f90\nq-e-qe-7.6/PW/src/lchk_tauxk.f90\nq-e-qe-7.6/PW/src/ldaU.f90\nq-e-qe-7.6/PW/src/loc_scdm.f90\nq-e-qe-7.6/PW/src/loc_scdm_k.f90\nq-e-qe-7.6/PW/src/make_pointlists.f90\nq-e-qe-7.6/PW/src/manypw.f90\nq-e-qe-7.6/PW/src/martyna_tuckerman.f90\nq-e-qe-7.6/PW/src/memory_report.f90\nq-e-qe-7.6/PW/src/mix_rho.f90\nq-e-qe-7.6/PW/src/move_ions.f90\nq-e-qe-7.6/PW/src/multable.f90\nq-e-qe-7.6/PW/src/n_plane_waves.f90\nq-e-qe-7.6/PW/src/new_ns.f90\nq-e-qe-7.6/PW/src/new_nsb.f90\nq-e-qe-7.6/PW/src/new_nsg.f90\nq-e-qe-7.6/PW/src/new_occ.f90\nq-e-qe-7.6/PW/src/newd_acc.f90\nq-e-qe-7.6/PW/src/non_scf.f90\nq-e-qe-7.6/PW/src/ns_adj.f90\nq-e-qe-7.6/PW/src/offset_atom_wfc.f90\nq-e-qe-7.6/PW/src/openfil.f90\nq-e-qe-7.6/PW/src/orbm_kubo.f90\nq-e-qe-7.6/PW/src/orthoUwfc.f90\nq-e-qe-7.6/PW/src/ortho_wfc.f90\nq-e-qe-7.6/PW/src/orthoatwfc.f90\nq-e-qe-7.6/PW/src/oscdft_base.f90\nq-e-qe-7.6/PW/src/oscdft_context.f90\nq-e-qe-7.6/PW/src/oscdft_enums.f90\nq-e-qe-7.6/PW/src/oscdft_extended.f90\nq-e-qe-7.6/PW/src/oscdft_forces.f90\nq-e-qe-7.6/PW/src/oscdft_forces_subs.f90\nq-e-qe-7.6/PW/src/oscdft_functions.f90\nq-e-qe-7.6/PW/src/oscdft_functions_gpu.f90\nq-e-qe-7.6/PW/src/oscdft_indices.f90\nq-e-qe-7.6/PW/src/oscdft_input.f90\nq-e-qe-7.6/PW/src/oscdft_occupations.f90\nq-e-qe-7.6/PW/src/oscdft_wavefunction.f90\nq-e-qe-7.6/PW/src/oscdft_wavefunction_subs.f90\nq-e-qe-7.6/PW/src/oscdft_wfcO.f90\nq-e-qe-7.6/PW/src/output_tau.f90\nq-e-qe-7.6/PW/src/para.f90\nq-e-qe-7.6/PW/src/paw_exx.f90\nq-e-qe-7.6/PW/src/paw_init.f90\nq-e-qe-7.6/PW/src/paw_onecenter.f90\nq-e-qe-7.6/PW/src/paw_symmetry.f90\nq-e-qe-7.6/PW/src/plugin_check.f90\nq-e-qe-7.6/PW/src/plugin_clean.f90\nq-e-qe-7.6/PW/src/plugin_clock.f90\nq-e-qe-7.6/PW/src/plugin_ext_forces.f90\nq-e-qe-7.6/PW/src/plugin_init_cell.f90\nq-e-qe-7.6/PW/src/plugin_init_ions.f90\nq-e-qe-7.6/PW/src/plugin_init_potential.f90\nq-e-qe-7.6/PW/src/plugin_initbase.f90\nq-e-qe-7.6/PW/src/plugin_initialization.f90\nq-e-qe-7.6/PW/src/plugin_int_forces.f90\nq-e-qe-7.6/PW/src/plugin_print_energies.f90\nq-e-qe-7.6/PW/src/plugin_read_input.f90\nq-e-qe-7.6/PW/src/plugin_scf_energy.f90\nq-e-qe-7.6/PW/src/plugin_scf_potential.f90\nq-e-qe-7.6/PW/src/plugin_summary.f90\nq-e-qe-7.6/PW/src/plus_u_full.f90\nq-e-qe-7.6/PW/src/potinit.f90\nq-e-qe-7.6/PW/src/print_clock_pw.f90\nq-e-qe-7.6/PW/src/print_ks_energies.f90\nq-e-qe-7.6/PW/src/printpot.f90\nq-e-qe-7.6/PW/src/punch.f90\nq-e-qe-7.6/PW/src/pw2blip.f90\nq-e-qe-7.6/PW/src/pw2casino.f90\nq-e-qe-7.6/PW/src/pw2casino_write.f90\nq-e-qe-7.6/PW/src/pw_init_qexsd_input.f90\nq-e-qe-7.6/PW/src/pw_restart_new.f90\nq-e-qe-7.6/PW/src/pwcom.f90\nq-e-qe-7.6/PW/src/pwscf.f90\nq-e-qe-7.6/PW/src/rdiagh.f90\nq-e-qe-7.6/PW/src/read_conf_from_file.f90\nq-e-qe-7.6/PW/src/read_file_new.f90\nq-e-qe-7.6/PW/src/realus.f90\nq-e-qe-7.6/PW/src/remove_atomic_rho.f90\nq-e-qe-7.6/PW/src/report_mag.f90\nq-e-qe-7.6/PW/src/restart_in_electrons.f90\nq-e-qe-7.6/PW/src/rho2zeta.f90\nq-e-qe-7.6/PW/src/rism_module.f90\nq-e-qe-7.6/PW/src/rotate_wfc.f90\nq-e-qe-7.6/PW/src/run_driver.f90\nq-e-qe-7.6/PW/src/run_pwscf.f90\nq-e-qe-7.6/PW/src/ruotaijk.f90\nq-e-qe-7.6/PW/src/s_1psi.f90\nq-e-qe-7.6/PW/src/s_psi.f90\nq-e-qe-7.6/PW/src/save_in_cbands.f90\nq-e-qe-7.6/PW/src/save_in_electrons.f90\nq-e-qe-7.6/PW/src/scale_h.f90\nq-e-qe-7.6/PW/src/scf_mod.f90\nq-e-qe-7.6/PW/src/scissor.f90\nq-e-qe-7.6/PW/src/set_kplusq.f90\nq-e-qe-7.6/PW/src/set_kup_and_kdw.f90\nq-e-qe-7.6/PW/src/set_occupations.f90\nq-e-qe-7.6/PW/src/set_rhoc.f90\nq-e-qe-7.6/PW/src/set_spin_vars.f90\nq-e-qe-7.6/PW/src/set_vrs.f90\nq-e-qe-7.6/PW/src/setlocal.f90\nq-e-qe-7.6/PW/src/setup.f90\nq-e-qe-7.6/PW/src/sic.f90\nq-e-qe-7.6/PW/src/start_k.f90\nq-e-qe-7.6/PW/src/starting_scf_mod.f90\nq-e-qe-7.6/PW/src/stop_run.f90\nq-e-qe-7.6/PW/src/stres_cc.f90\nq-e-qe-7.6/PW/src/stres_ewa.f90\nq-e-qe-7.6/PW/src/stres_gradcorr.f90\nq-e-qe-7.6/PW/src/stres_har.f90\nq-e-qe-7.6/PW/src/stres_hub.f90\nq-e-qe-7.6/PW/src/stres_knl.f90\nq-e-qe-7.6/PW/src/stres_loc.f90\nq-e-qe-7.6/PW/src/stres_mgga.f90\nq-e-qe-7.6/PW/src/stres_nonloc_dft.f90\nq-e-qe-7.6/PW/src/stres_us.f90\nq-e-qe-7.6/PW/src/stress.f90\nq-e-qe-7.6/PW/src/struct_fact.f90\nq-e-qe-7.6/PW/src/sum_band.f90\nq-e-qe-7.6/PW/src/sumkg.f90\nq-e-qe-7.6/PW/src/sumkt.f90\nq-e-qe-7.6/PW/src/summary.f90\nq-e-qe-7.6/PW/src/symm_base.f90\nq-e-qe-7.6/PW/src/symme.f90\nq-e-qe-7.6/PW/src/symmetrize_at.f90\nq-e-qe-7.6/PW/src/tetra.f90\nq-e-qe-7.6/PW/src/transform_becsum_nc.f90\nq-e-qe-7.6/PW/src/transform_becsum_so.f90\nq-e-qe-7.6/PW/src/trnvecc.f90\nq-e-qe-7.6/PW/src/two_chem.f90\nq-e-qe-7.6/PW/src/update_pot.f90\nq-e-qe-7.6/PW/src/us_exx.f90\nq-e-qe-7.6/PW/src/usnldiag.f90\nq-e-qe-7.6/PW/src/utils.f90\nq-e-qe-7.6/PW/src/utils_gpu.f90\nq-e-qe-7.6/PW/src/v_hubbard.f90\nq-e-qe-7.6/PW/src/v_of_rho.f90\nq-e-qe-7.6/PW/src/vcsmd.f90\nq-e-qe-7.6/PW/src/vcsubs.f90\nq-e-qe-7.6/PW/src/vhpsi.f90\nq-e-qe-7.6/PW/src/vhpsi_U.f90\nq-e-qe-7.6/PW/src/vloc_psi_acc.f90\nq-e-qe-7.6/PW/src/vloc_psi_tg.f90\nq-e-qe-7.6/PW/src/wannier_check.f90\nq-e-qe-7.6/PW/src/wannier_clean.f90\nq-e-qe-7.6/PW/src/wannier_init.f90\nq-e-qe-7.6/PW/src/wannier_occ.f90\nq-e-qe-7.6/PW/src/weights.f90\nq-e-qe-7.6/PW/src/wfcinit.f90\nq-e-qe-7.6/PW/src/write_ns.f90\nq-e-qe-7.6/PW/src/wsweight.f90\nq-e-qe-7.6/PW/src/xdm_dispersion.f90\nq-e-qe-7.6/PW/tools/\nq-e-qe-7.6/PW/tools/MINpuT.ipynb\nq-e-qe-7.6/PW/tools/MINpuT.py\nq-e-qe-7.6/PW/tools/Makefile\nq-e-qe-7.6/PW/tools/README\nq-e-qe-7.6/PW/tools/README_MINpuT.txt\nq-e-qe-7.6/PW/tools/castep2qe.sh\nq-e-qe-7.6/PW/tools/cell2ibrav.f90\nq-e-qe-7.6/PW/tools/cif2qe.sh\nq-e-qe-7.6/PW/tools/ev.f90\nq-e-qe-7.6/PW/tools/graphene.cif\nq-e-qe-7.6/PW/tools/graphene_hBN.in\nq-e-qe-7.6/PW/tools/hBN.cif\nq-e-qe-7.6/PW/tools/ibrav2cell.f90\nq-e-qe-7.6/PW/tools/kpoints.f90\nq-e-qe-7.6/PW/tools/md_analyzer.sh\nq-e-qe-7.6/PW/tools/pwi2xsf.f90\nq-e-qe-7.6/PW/tools/pwi2xsf.sh\nq-e-qe-7.6/PW/tools/pwo2xsf.sh\nq-e-qe-7.6/PW/tools/qeout2axsf.sh\nq-e-qe-7.6/PW/tools/rism1d.f90\nq-e-qe-7.6/PW/tools/scan_ibrav.f90\nq-e-qe-7.6/PW/tools/system.cif\nq-e-qe-7.6/PW/tools/xsf2pwi.sh\nq-e-qe-7.6/PWCOND/\nq-e-qe-7.6/PWCOND/CMakeLists.txt\nq-e-qe-7.6/PWCOND/Doc/\nq-e-qe-7.6/PWCOND/Doc/INPUT_PWCOND.def\nq-e-qe-7.6/PWCOND/Doc/Makefile\nq-e-qe-7.6/PWCOND/Makefile\nq-e-qe-7.6/PWCOND/examples/\nq-e-qe-7.6/PWCOND/examples/clean_all\nq-e-qe-7.6/PWCOND/examples/example01/\nq-e-qe-7.6/PWCOND/examples/example01/README\nq-e-qe-7.6/PWCOND/examples/example01/reference/\nq-e-qe-7.6/PWCOND/examples/example01/reference/AlwireAl.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/AlwireH.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/AlwireH.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/al.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/al.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/alwire.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/alwire.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/alwire1.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.al.co\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.al.im\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.al.re\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.alwire.co\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.alwire.im\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.alwire.re\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.ni_down.co\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.ni_down.im\nq-e-qe-7.6/PWCOND/examples/example01/reference/bands.ni_down.re\nq-e-qe-7.6/PWCOND/examples/example01/reference/ni.cond.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/ni.scf.out\nq-e-qe-7.6/PWCOND/examples/example01/reference/trans.alwire\nq-e-qe-7.6/PWCOND/examples/example01/reference/trans.alwireh\nq-e-qe-7.6/PWCOND/examples/example01/run_example\nq-e-qe-7.6/PWCOND/examples/example02/\nq-e-qe-7.6/PWCOND/examples/example02/README\nq-e-qe-7.6/PWCOND/examples/example02/reference/\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt.cond.out\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt.cond_t.out\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt.tet.out\nq-e-qe-7.6/PWCOND/examples/example02/reference/pt4.out\nq-e-qe-7.6/PWCOND/examples/example02/run_example\nq-e-qe-7.6/PWCOND/examples/example03/\nq-e-qe-7.6/PWCOND/examples/example03/README\nq-e-qe-7.6/PWCOND/examples/example03/reference/\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire1.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/Auwire1U.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/AuwireU.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/AuwireU.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwire.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwire.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwireU.cond.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/COatAuwireU.scf.out\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.co_im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.co_re\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bands.Auwire.re\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.co_im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.co_re\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.im\nq-e-qe-7.6/PWCOND/examples/example03/reference/bandsU.Auwire.re\nq-e-qe-7.6/PWCOND/examples/example03/reference/plot_results.gnu\nq-e-qe-7.6/PWCOND/examples/example03/reference/trans.AuwireCO\nq-e-qe-7.6/PWCOND/examples/example03/reference/transU.AuwireCO\nq-e-qe-7.6/PWCOND/examples/example03/run_example\nq-e-qe-7.6/PWCOND/examples/run_all_examples\nq-e-qe-7.6/PWCOND/src/\nq-e-qe-7.6/PWCOND/src/Makefile\nq-e-qe-7.6/PWCOND/src/allocate_cond.f90\nq-e-qe-7.6/PWCOND/src/bessj.f90\nq-e-qe-7.6/PWCOND/src/compbs.f90\nq-e-qe-7.6/PWCOND/src/compbs_2.f90\nq-e-qe-7.6/PWCOND/src/cond_out.f90\nq-e-qe-7.6/PWCOND/src/cond_restart.f90\nq-e-qe-7.6/PWCOND/src/condcom.f90\nq-e-qe-7.6/PWCOND/src/condmain.f90\nq-e-qe-7.6/PWCOND/src/do_cond.f90\nq-e-qe-7.6/PWCOND/src/eigenchnl.f90\nq-e-qe-7.6/PWCOND/src/form_zk.f90\nq-e-qe-7.6/PWCOND/src/four.f90\nq-e-qe-7.6/PWCOND/src/free_mem.f90\nq-e-qe-7.6/PWCOND/src/gep_x.f90\nq-e-qe-7.6/PWCOND/src/gramsh.f90\nq-e-qe-7.6/PWCOND/src/hev_ab.f90\nq-e-qe-7.6/PWCOND/src/init_cond.f90\nq-e-qe-7.6/PWCOND/src/init_gper.f90\nq-e-qe-7.6/PWCOND/src/init_orbitals.f90\nq-e-qe-7.6/PWCOND/src/integrals.f90\nq-e-qe-7.6/PWCOND/src/jbloch.f90\nq-e-qe-7.6/PWCOND/src/kbloch.f90\nq-e-qe-7.6/PWCOND/src/local.f90\nq-e-qe-7.6/PWCOND/src/local_set.f90\nq-e-qe-7.6/PWCOND/src/openfil_cond.f90\nq-e-qe-7.6/PWCOND/src/plus_u_setup.f90\nq-e-qe-7.6/PWCOND/src/poten.f90\nq-e-qe-7.6/PWCOND/src/print_clock_pwcond.f90\nq-e-qe-7.6/PWCOND/src/realus_scatt.f90\nq-e-qe-7.6/PWCOND/src/rotproc.f90\nq-e-qe-7.6/PWCOND/src/save_cond.f90\nq-e-qe-7.6/PWCOND/src/scat_states_plot.f90\nq-e-qe-7.6/PWCOND/src/scatter_forw.f90\nq-e-qe-7.6/PWCOND/src/summary_band.f90\nq-e-qe-7.6/PWCOND/src/summary_tran.f90\nq-e-qe-7.6/PWCOND/src/sunitary.f90\nq-e-qe-7.6/PWCOND/src/transmit.f90\nq-e-qe-7.6/QEHeat/\nq-e-qe-7.6/QEHeat/CMakeLists.txt\nq-e-qe-7.6/QEHeat/Doc/\nq-e-qe-7.6/QEHeat/Doc/INPUT_ALL_CURRENTS.def\nq-e-qe-7.6/QEHeat/Doc/Makefile\nq-e-qe-7.6/QEHeat/Doc/input_xx.xsl\nq-e-qe-7.6/QEHeat/Makefile\nq-e-qe-7.6/QEHeat/README\nq-e-qe-7.6/QEHeat/examples/\nq-e-qe-7.6/QEHeat/examples/README.md\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/input\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/current_hz\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/current_hz.dat\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/reference/output\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/run_example.sh\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/traj.pos\nq-e-qe-7.6/QEHeat/examples/example_H2O_trajectory/traj.vel\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/input_energycurrent\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/current_hz\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/current_hz.dat\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/reference/output_energycurrent\nq-e-qe-7.6/QEHeat/examples/example_SiO2_single/run_example.sh\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/input_all_currents\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/input_cp\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/current_hz\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/current_hz.dat\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/out_all_currents\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/out_cp\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.0_0\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.cel\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.con\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.eig\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.evp\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.for\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.hrs\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.ncg\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.nos\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.pol\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.pos\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.spr\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.str\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.the\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.vel\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/reference/traj/cp.wfc\nq-e-qe-7.6/QEHeat/examples/example_small_H20_trajectory/run_example_water\nq-e-qe-7.6/QEHeat/examples/pseudo/\nq-e-qe-7.6/QEHeat/examples/pseudo/Ar_ONCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/H_HSCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/O_HSCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/O_ONCV_PBE-1.0.upf\nq-e-qe-7.6/QEHeat/examples/pseudo/Si_ONCV_PBE-1.1.upf\nq-e-qe-7.6/QEHeat/src/\nq-e-qe-7.6/QEHeat/src/Makefile\nq-e-qe-7.6/QEHeat/src/all_currents.f90\nq-e-qe-7.6/QEHeat/src/averages.f90\nq-e-qe-7.6/QEHeat/src/compute_charge.f90\nq-e-qe-7.6/QEHeat/src/cpv_traj.f90\nq-e-qe-7.6/QEHeat/src/cpv_traj_test.f90\nq-e-qe-7.6/QEHeat/src/ec_functionals.f90\nq-e-qe-7.6/QEHeat/src/hartree_xc_mod.f90\nq-e-qe-7.6/QEHeat/src/init_us_3.f90\nq-e-qe-7.6/QEHeat/src/ionic_mod.f90\nq-e-qe-7.6/QEHeat/src/kohn_sham_mod.f90\nq-e-qe-7.6/QEHeat/src/project.f90\nq-e-qe-7.6/QEHeat/src/scf_result.f90\nq-e-qe-7.6/QEHeat/src/test_h_psi_s_psi_commutator_Hx_psi.f90\nq-e-qe-7.6/QEHeat/src/traj_object.f90\nq-e-qe-7.6/QEHeat/src/zero_mod.f90\nq-e-qe-7.6/README.md\nq-e-qe-7.6/README_GPU.md\nq-e-qe-7.6/TDDFPT/\nq-e-qe-7.6/TDDFPT/.dependencies\nq-e-qe-7.6/TDDFPT/CMakeLists.txt\nq-e-qe-7.6/TDDFPT/ColorCalculator/\nq-e-qe-7.6/TDDFPT/ColorCalculator/CIEx\nq-e-qe-7.6/TDDFPT/ColorCalculator/CIEy\nq-e-qe-7.6/TDDFPT/ColorCalculator/CIEz\nq-e-qe-7.6/TDDFPT/ColorCalculator/ColorCalculator5.jar\nq-e-qe-7.6/TDDFPT/ColorCalculator/D65.light\nq-e-qe-7.6/TDDFPT/ColorCalculator/Install\nq-e-qe-7.6/TDDFPT/ColorCalculator/Makefile\nq-e-qe-7.6/TDDFPT/ColorCalculator/README\nq-e-qe-7.6/TDDFPT/ColorCalculator/colorBlue.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/pelargonin_inter_sort.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/pelargonin_no_inter.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/pelargonin_no_inter_no_sort.dat\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/ColorCalculator.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/ColorWindow.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/GUITools.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/Graph.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/GraphFactory.java\nq-e-qe-7.6/TDDFPT/ColorCalculator/src/Manifest.txt\nq-e-qe-7.6/TDDFPT/Doc/\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Davidson.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_EELS.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Lanczos.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Magnon.def\nq-e-qe-7.6/TDDFPT/Doc/INPUT_Spectrum.def\nq-e-qe-7.6/TDDFPT/Doc/Makefile\nq-e-qe-7.6/TDDFPT/Makefile\nq-e-qe-7.6/TDDFPT/README\nq-e-qe-7.6/TDDFPT/examples/\nq-e-qe-7.6/TDDFPT/examples/README\nq-e-qe-7.6/TDDFPT/examples/clean_all\nq-e-qe-7.6/TDDFPT/examples/example01/\nq-e-qe-7.6/TDDFPT/examples/example01/reference/\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.plot_S.dat\nq-e-qe-7.6/TDDFPT/examples/example01/reference/CH4.plot_chi.dat\n\ngzip: stdin: unexpected end of file\ntar: Unexpected EOF in archive\ntar: Unexpected EOF in archive\ntar: Error is not recoverable: exiting now\n/kaggle/working/q-e-qe-7.6/q-e-qe-7.6\n","output_type":"stream"}],"execution_count":29},{"cell_type":"markdown","source":"Here, nvfortran is a requirement otherwise the code cannot work. Use cuda 12.3 or above (use versions which give direct tarball over the newer 13.0+ interactive installer as it does not work).","metadata":{}},{"cell_type":"code","source":"%cd /kaggle/working\n!wget https://developer.download.nvidia.com/hpc-sdk/24.11/nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\n!tar xpzf nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\n!rm -rf nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:26:57.322261Z","iopub.execute_input":"2026-08-17T17:26:57.322636Z","iopub.status.idle":"2026-08-17T17:26:59.295474Z","shell.execute_reply.started":"2026-08-17T17:26:57.322608Z","shell.execute_reply":"2026-08-17T17:26:59.294575Z"}},"outputs":[{"name":"stdout","text":"/kaggle/working\n--2026-08-17 17:26:57-- https://developer.download.nvidia.com/hpc-sdk/24.11/nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz\nResolving developer.download.nvidia.com (developer.download.nvidia.com)... 2.16.106.152, 2.16.106.132\nConnecting to developer.download.nvidia.com (developer.download.nvidia.com)|2.16.106.152|:443... connected.\nHTTP request sent, awaiting response... 200 OK\nLength: 6131381079 (5.7G) [application/x-tar]\nSaving to: ‘nvhpc_2024_2411_Linux_x86_64_cuda_12.6.tar.gz’\n\n nvhpc_2024 0%[ ] 30.82M 154MB/s ^C\n^C\n","output_type":"stream"}],"execution_count":30},{"cell_type":"markdown","source":"## 3. Setting environment for running ","metadata":{}},{"cell_type":"markdown","source":"This part is extremely crucial, **do not** skip. Without this step, the whole process is not applicable.","metadata":{}},{"cell_type":"code","source":"import os\n\nbase = \"/kaggle/working/nvhpc_2024_2411_Linux_x86_64_cuda_12.6/install_components/Linux_x86_64/24.11\" # Change path to current path where the nvhpc folder is\n\nos.environ[\"PATH\"] = base + \"/compilers/bin:\" + os.environ[\"PATH\"]\nos.environ[\"LD_LIBRARY_PATH\"] = base + \"/compilers/lib:\" + os.environ.get(\"LD_LIBRARY_PATH\", \"\")\nprint(\"Environment set.\")\n!nvfortran --version\nprint(\" \")\nprint(\"Check for error\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:26:59.297983Z","iopub.execute_input":"2026-08-17T17:26:59.298311Z","iopub.status.idle":"2026-08-17T17:26:59.46063Z","shell.execute_reply.started":"2026-08-17T17:26:59.298283Z","shell.execute_reply":"2026-08-17T17:26:59.459776Z"}},"outputs":[{"name":"stdout","text":"Environment set.\n\nnvfortran 24.11-0 64-bit target on x86-64 Linux -tp skylake-avx512 \nNVIDIA Compilers and Tools\nCopyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.\n \nCheck for error\n","output_type":"stream"}],"execution_count":31},{"cell_type":"markdown","source":"## 4. Set config ","metadata":{}},{"cell_type":"markdown","source":"Ensure to not tinker with the config unless **absolutely needed**. **Do not modify.**","metadata":{}},{"cell_type":"code","source":"%cd /kaggle/working/q-e-qe-7.6 \n# Change path as per need\n!export LIBXC_LIBS=\"-L/usr/lib/x86_64-linux-gnu -lxc -lxcf03\"\n!export LIBXC_CFLAGS=\"-I/usr/include\"\n!./configure \\\n FC=nvfortran \\\n F90=nvfortran \\\n F77=nvfortran \\\n MPIF90=nvfortran \\\n CC=nvc \\\n CXX=nvc++ \\\n LD=nvfortran \\\n --with-cuda=yes \\\n --with-cuda-runtime=12.6 \\\n --with-cuda-cc=60 \\\n --with-scalapack=no","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:26:59.46201Z","iopub.execute_input":"2026-08-17T17:26:59.462381Z","iopub.status.idle":"2026-08-17T17:27:00.904476Z","shell.execute_reply.started":"2026-08-17T17:26:59.462354Z","shell.execute_reply":"2026-08-17T17:27:00.903501Z"}},"outputs":[{"name":"stdout","text":"/kaggle/working/q-e-qe-7.6\nin-source build\nchecking build system type... x86_64-pc-linux-gnu\nchecking ARCH... x86_64\nchecking setting AR... ... ar\nchecking setting ARFLAGS... ... ruv\nconfigure: WARNING: --with-cuda is obsolete, use --with-gpu=cuda instead\nchecking whether the Fortran compiler works... yes\nchecking for Fortran compiler default output file name... a.out\nchecking for suffix of executables... \nchecking whether we are cross compiling... no\nchecking for suffix of object files... o\nchecking whether we are using the GNU Fortran compiler... ^C\n","output_type":"stream"}],"execution_count":32},{"cell_type":"markdown","source":"If final output shows configure: success, continue. Otherwise, search for documentation or use AI to help troubleshoot.","metadata":{}},{"cell_type":"code","source":"from pathlib import Path\nimport re\n\npath = Path(\"/kaggle/working/q-e-qe-7.6/make.inc\")\ntext = path.read_text()\n\nnew_lines = []\nfor line in text.splitlines():\n if line.strip().startswith(\"DFLAGS\"):\n line = re.sub(r\"-D__DFTI\\b\", \"\", line)\n line = re.sub(r\"-D__FFTW3\\b\", \"\", line)\n line = re.sub(r\"-D__FFTW\\b\", \"\", line)\n line = line.rstrip() + \" -D__FFTW\"\n new_lines.append(line)\n\npath.write_text(\"\\n\".join(new_lines) + \"\\n\")\n\nprint(\"Updated DFLAGS:\")\nfor line in new_lines:\n if line.strip().startswith(\"DFLAGS\"):\n print(line)","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:27:00.905865Z","iopub.execute_input":"2026-08-17T17:27:00.906209Z","iopub.status.idle":"2026-08-17T17:27:00.913805Z","shell.execute_reply.started":"2026-08-17T17:27:00.906181Z","shell.execute_reply":"2026-08-17T17:27:00.912995Z"}},"outputs":[{"name":"stdout","text":"Updated DFLAGS:\nDFLAGS = -D__PGI -D__CUDA -D__FFTW\n","output_type":"stream"}],"execution_count":33},{"cell_type":"markdown","source":"## 5. Compile and Run","metadata":{}},{"cell_type":"markdown","source":"The below code may take a few minutes to run. **Do not** interrupt execution. In case of errors saying certain parts are not there/broken, remove the comment on the cell below the given one. Then run the below cell and re-comment.","metadata":{}},{"cell_type":"code","source":"!cd /kaggle/working/q-e-qe-7.6/bin\n!make pw -j4 2>&1\n!make ph -j4 2>&1\n!make pp -j4 2>&1","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:27:00.914802Z","iopub.execute_input":"2026-08-17T17:27:00.915215Z","iopub.status.idle":"2026-08-17T17:27:01.706031Z","shell.execute_reply.started":"2026-08-17T17:27:00.915192Z","shell.execute_reply":"2026-08-17T17:27:01.705258Z"}},"outputs":[{"name":"stdout","text":"test -d bin || mkdir bin\n( cd UtilXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libdevx || exit 1 )\n( cd FFTXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libmbd || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/devxlib/make_devx; then \\\nmkdir -p /kaggle/working/q-e-qe-7.6/devxlib/src ; \\\ncd /kaggle/working/q-e-qe-7.6/external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.6/make.inc ../; \\\n( make all && touch /kaggle/working/q-e-qe-7.6/devxlib/make_devx ) ; \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/devxlib/src/ ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\n( cd src ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\n( cd XClib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/MBD/make_mbd; then \\\n mkdir /kaggle/working/q-e-qe-7.6/MBD; \\\n cd /kaggle/working/q-e-qe-7.6/external/mbd/src; \\\n export FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include \"; \\\n (make -f ../../mbd.make && touch /kaggle/working/q-e-qe-7.6/MBD/make_mbd); \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/MBD; fi\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\n( cd LAXlib ; make all || exit 1 )\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\n( cd upflib ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/LAXlib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/LAXlib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/XClib'\n( cd KS_Solvers ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/upflib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/upflib'\n( cd Modules ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/Modules'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/Modules'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\n( cd dft-d3 ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nif test -d Direct ; then \\\n ( cd Direct ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d PW ; then \\\n( cd PW ; make pwlibs || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[2]: 'libpw.a' is up to date.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\nif test -d PW ; then \\\n( cd PW ; make all || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[2]: 'libpw.a' is up to date.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\n( cd src ; make all || exit 1 )\n( cd tools ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/tools'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/tools'\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\ntest -d bin || mkdir bin\n( cd UtilXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libdevx || exit 1 )\n( cd FFTXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libmbd || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/devxlib/make_devx; then \\\nmkdir -p /kaggle/working/q-e-qe-7.6/devxlib/src ; \\\ncd /kaggle/working/q-e-qe-7.6/external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.6/make.inc ../; \\\n( make all && touch /kaggle/working/q-e-qe-7.6/devxlib/make_devx ) ; \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/devxlib/src/ ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\n( cd src ; make all || exit 1 )\n( cd XClib ; make all || exit 1 )\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\n( cd LAXlib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/MBD/make_mbd; then \\\n mkdir /kaggle/working/q-e-qe-7.6/MBD; \\\n cd /kaggle/working/q-e-qe-7.6/external/mbd/src; \\\n export FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include \"; \\\n (make -f ../../mbd.make && touch /kaggle/working/q-e-qe-7.6/MBD/make_mbd); \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/MBD; fi\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\n( cd upflib ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/LAXlib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/LAXlib'\n( cd KS_Solvers ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/upflib'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/upflib'\n( cd Modules ; make all || exit 1 )\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d Davidson_RCI ; then \\\n( cd Davidson_RCI ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson_RCI'\nif test -d Davidson ; then \\\n ( cd Davidson ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Davidson'\nif test -d CG ; then \\\n ( cd CG ; make all || exit 1 ) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/Modules'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/Modules'\n( cd dft-d3 ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/CG'\nif test -d ParO ; then \\\n ( cd ParO ; make all || exit 1 ) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[1]: Nothing to be done for 'all'.\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/dft-d3'\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/ParO'\nif test -d RMM ; then \\\n ( cd RMM ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/RMM'\nif test -d DENSE ; then \\\n ( cd DENSE ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nif test -d Direct ; then \\\n ( cd Direct ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[2]: Nothing to be done for 'phlibs'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon'\nif test -d PHonon; then \\\n( cd PHonon; make all || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon'\n( cd PH ; make phlibs || exit 1 )\n( cd Gamma ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/Gamma'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/Gamma'\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[2]: Nothing to be done for 'phlibs'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\n( cd PH ; make all || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon/PH'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PHonon'\n^C\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/DENSE'\nif test -d Direct ; then \\\n ( cd Direct ; make all || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nmake[2]: Nothing to be done for 'all'.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers/Direct'\nif test -d NewSolver ; then \\\n ( cd NewSolver ; make all || exit 1 ) ; fi\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/KS_Solvers'\nif test -d PW ; then \\\n( cd PW ; make pwlibs || exit 1) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PW'\n( cd src ; make libpw.a || exit 1 )\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[2]: 'libpw.a' is up to date.\nmake[2]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW/src'\nmake[1]: Leaving directory '/kaggle/working/q-e-qe-7.6/PW'\nif test -d PP ; then \\\n( cd PP ; make all || exit 1 ) ; fi\nmake[1]: Entering directory '/kaggle/working/q-e-qe-7.6/PP'\nif test -d src ; then \\\n( cd src ; make || exit 1 ) ; fi\nmake[2]: Entering directory '/kaggle/working/q-e-qe-7.6/PP/src'\nif test -n \"pwlibs\" ; then \\\n( cd /kaggle/working/q-e-qe-7.6 ; make pwlibs || exit 1 ) ; fi\nmake[3]: Entering directory '/kaggle/working/q-e-qe-7.6'\ntest -d bin || mkdir bin\n( cd UtilXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libdevx || exit 1 )\n( cd FFTXlib ; make all || exit 1 )\n( cd install ; make -f extlibs_makefile libmbd || exit 1 )\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[4]: Nothing to be done for 'all'.\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/UtilXlib'\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib'\n( cd src ; make all || exit 1 )\nif test ! -f /kaggle/working/q-e-qe-7.6/devxlib/make_devx; then \\\nmkdir -p /kaggle/working/q-e-qe-7.6/devxlib/src ; \\\ncd /kaggle/working/q-e-qe-7.6/external/devxlib/src; \\\nln -fs /kaggle/working/q-e-qe-7.6/make.inc ../; \\\n( make all && touch /kaggle/working/q-e-qe-7.6/devxlib/make_devx ) ; \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/devxlib/src/ ; fi\n( cd XClib ; make all || exit 1 )\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/install'\nif test ! -f /kaggle/working/q-e-qe-7.6/MBD/make_mbd; then \\\n mkdir /kaggle/working/q-e-qe-7.6/MBD; \\\n cd /kaggle/working/q-e-qe-7.6/external/mbd/src; \\\n export FXX=nvfortran; export FXXOPT=\"-fast -Mcache_align -Mpreprocess -Mlarge_arrays -D__PGI -D__CUDA -D__FFTW -cuda -gpu=cc60,cuda12.6 -acc -I/kaggle/working/q-e-qe-7.6/devxlib/src -I/kaggle/working/q-e-qe-7.6/external/devxlib/include -I. -I/kaggle/working/q-e-qe-7.6/include -I/opt/intel/mkl/include \"; \\\n (make -f ../../mbd.make && touch /kaggle/working/q-e-qe-7.6/MBD/make_mbd); \\\nmv *.o *.mod *.a /kaggle/working/q-e-qe-7.6/MBD; fi\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/install'\n( cd LAXlib ; make all || exit 1 )\n( cd upflib ; make all || exit 1 )\nmake[4]: Entering directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[4]: Nothing to be done for 'all'.\nmake[4]: Leaving directory '/kaggle/working/q-e-qe-7.6/XClib'\nmake[5]: Entering directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\nmake[5]: Nothing to be done for 'all'.\nmake[5]: Leaving directory '/kaggle/working/q-e-qe-7.6/FFTXlib/src'\n^C\nmake[3]: *** [Makefile:229: libupf] Interrupt\nmake[3]: *** [Makefile:223: librxc] Interrupt\nmake[3]: *** [Makefile:217: libla] Interrupt\nmake[4]: *** [Makefile:9: fftx] Interrupt\nmake[3]: *** [Makefile:220: libfft] Interrupt\nmake[2]: *** [../../install/tldeps:11: tldeps] Interrupt\nmake[1]: *** [Makefile:9: all] Interrupt\nmake: *** [Makefile:97: pp] Interrupt\n","output_type":"stream"}],"execution_count":34},{"cell_type":"markdown","source":"Below code runs QE and the analysis.","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > run_qe.sh << 'EOF'\n#!/bin/bash\nexport CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\nexec /kaggle/working/q-e-qe-7.6/bin/pw.x -nb 4 -in input.in > output.out\nEOF\nchmod +x run_qe.sh\nmpirun --allow-run-as-root -np 2 \\\n --bind-to none \\\n ./run_qe.sh || true","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-17T17:40:45.135242Z","iopub.execute_input":"2026-08-17T17:40:45.135717Z","iopub.status.idle":"2026-08-17T17:42:36.799986Z","shell.execute_reply.started":"2026-08-17T17:40:45.135643Z","shell.execute_reply":"2026-08-17T17:42:36.799082Z"}},"outputs":[{"name":"stderr","text":"FORTRAN STOP\nWarning: ieee_invalid is signaling\nWarning: ieee_divide_by_zero is signaling\nWarning: ieee_inexact is signaling\nFORTRAN STOP\n","output_type":"stream"}],"execution_count":64},{"cell_type":"markdown","source":"Check outputs for any errors(saves a lot of time compared to trying to use mpirun failure codes which are random and do not make sense)","metadata":{}},{"cell_type":"code","source":"!cat output.out","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-17T17:44:43.755379Z","iopub.execute_input":"2026-08-17T17:44:43.75603Z","iopub.status.idle":"2026-08-17T17:44:43.875365Z","shell.execute_reply.started":"2026-08-17T17:44:43.755997Z","shell.execute_reply":"2026-08-17T17:44:43.874576Z"},"collapsed":true,"jupyter":{"outputs_hidden":true}},"outputs":[{"name":"stdout","text":"\n Program PWSCF v.7.6 starts on 17Aug2026 at 17:40:45 \n\n This program is part of the open-source Quantum ESPRESSO suite\n for quantum simulation of materials; please cite\n \"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);\n \"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);\n \"P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);\n URL http://www.quantum-espresso.org\", \n in publications or presentations arising from this work. More details at\n http://www.quantum-espresso.org/quote\n\n Serial version\n 4576 MiB available memory on the printing compute node when the environment starts\n \n Reading input from input.in\n\n Current dimensions of program PWSCF are:\n Max number of different atomic species (ntypx) = 10\n Max number of k-points (npk) = 40000\n Max angular momentum in pseudopotentials (lmaxx) = 4\n Stress calculation not meaningful in isolated systems\n\n file O.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S 2P renormalized\n\n IMPORTANT: XC functional enforced from input :\n Exchange-correlation= PBE\n ( 1 4 3 4 0 0 0)\n Any further DFT definition will be discarded\n Please, verify this is what you really want\n\n\n gamma-point specific algorithms are used\n \n \n G-vector sticks info\n --------------------\n sticks: dense smooth PW G-vecs: dense smooth PW\n Sum 40945 20461 5129 6227117 2201421 274961\n \n Using Slab Decomposition\n \n\n\n bravais-lattice index = 0\n lattice parameter (alat) = 37.7945 a.u.\n unit-cell volume = 53986.6760 (a.u.)^3\n number of atoms/cell = 2\n number of atomic types = 1\n number of electrons = 12.00\n number of Kohn-Sham states= 10\n kinetic-energy cutoff = 45.0000 Ry\n charge density cutoff = 360.0000 Ry\n scf convergence threshold = 1.0E-08\n mixing beta = 0.3000\n number of iterations used = 8 local-TF mixing\n Exchange-correlation= PBE\n ( 1 4 3 4 0 0 0)\n\n GPU acceleration is ACTIVE. 1 visible GPUs per MPI rank\n\n Assuming isolated system, Martyna-Tuckerman method\n\n\n celldm(1)= 37.794522 celldm(2)= 0.000000 celldm(3)= 0.000000\n celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000\n\n crystal axes: (cart. coord. in units of alat)\n a(1) = ( 1.000000 0.000000 0.000000 ) \n a(2) = ( 0.000000 1.000000 0.000000 ) \n a(3) = ( 0.000000 0.000000 1.000000 ) \n\n reciprocal axes: (cart. coord. in units 2 pi/alat)\n b(1) = ( 1.000000 0.000000 0.000000 ) \n b(2) = ( 0.000000 1.000000 0.000000 ) \n b(3) = ( 0.000000 0.000000 1.000000 ) \n\n\n PseudoPot. # 1 for O read from file:\n ./pseudo/O.pbe-n-kjpaw_psl.1.0.0.UPF\n MD5 check sum: e99d9cef9b487d1ca56f5b95ecd0fd7a\n Pseudo is Projector augmented-wave + core cor, Zval = 6.0\n Generated using "atomic" code by A. Dal Corso v.6.3\n Shape of augmentation charge: PSQ\n Using radial grid of 1095 points, 4 beta functions with: \n l(1) = 0\n l(2) = 0\n l(3) = 1\n l(4) = 1\n Q(r) pseudized with 0 coefficients \n\n\n atomic species valence mass pseudopotential\n O 6.00 16.00000 O ( 1.00)\n\n Starting magnetic structure \n atomic species magnetization\n O 0.500\n\n No symmetry found\n\n\n\n Cartesian axes\n\n site n. atom positions (alat units)\n 1 O tau( 1) = ( 1.0000000 1.0000000 0.9697500 )\n 2 O tau( 2) = ( 1.0000000 1.0000000 1.0302500 )\n\n --------------------------------------------\n DFT-D3 Dispersion Correction (no 3-body):\n --------------------------------------------\n Reference C6 values for interpolation: \n\n atom Coordination number C6\n O 0.000 31.01\n O 0.993 25.63\n O 1.989 20.74\n\n Values used:\n\n atom Coordination number R0_AB[au] C6 C8\n O 0.998 2.345 25.62 517.08\n O 0.998 2.345 25.62 517.08\n\n Molecular C6 ( Ry / a.u.^6 ) = 102.49\n\n\n number of k points= 1 Gaussian smearing, width (Ry)= 0.0050\n cart. coord. in units 2pi/alat\n k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 1.0000000\n\n Dense grid: 3113559 G-vectors FFT dimensions: ( 240, 240, 240)\n\n Smooth grid: 1100711 G-vectors FFT dimensions: ( 162, 162, 162)\n\n Estimated max dynamical RAM per process > 5.94 GB\n Generating pointlists ...\n new r_m : 0.0250 (alat units) 0.9432 (a.u.) for type 1\n\n Initial potential from superposition of free atoms\n\n starting charge 12.0000, renormalised to 12.0000\n\n negative rho (up, down): 5.929E-03 1.976E-03\n Starting wfcs are 8 randomized atomic wfcs + 2 random wfcs\n\n total cpu time spent up to now is 8.5 secs\n\n Self-consistent Calculation\n\n iteration # 1 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.00E-02, avg # of iterations = 7.0\n\n negative rho (up, down): 4.938E-03 1.512E-03\n\n total cpu time spent up to now is 13.3 secs\n\n total energy = -82.89790575 Ry\n estimated scf accuracy < 0.20955867 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.06 Bohr mag/cell\n\n iteration # 2 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.75E-03, avg # of iterations = 1.5\n\n negative rho (up, down): 8.464E-03 2.003E-03\n\n total cpu time spent up to now is 17.9 secs\n\n total energy = -83.02115344 Ry\n estimated scf accuracy < 0.10219712 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.06 Bohr mag/cell\n\n iteration # 3 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.52E-04, avg # of iterations = 6.0\n\n negative rho (up, down): 6.593E-03 1.539E-03\n\n total cpu time spent up to now is 22.5 secs\n\n total energy = -83.03328630 Ry\n estimated scf accuracy < 0.00104050 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.06 Bohr mag/cell\n\n iteration # 4 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 3 eigenvalues not converged\n c_bands: 3 eigenvalues not converged\n ethr = 8.67E-06, avg # of iterations = 20.0\n\n negative rho (up, down): 5.264E-03 1.457E-03\n\n total cpu time spent up to now is 27.8 secs\n\n total energy = -83.03735758 Ry\n estimated scf accuracy < 0.00151215 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.05 Bohr mag/cell\n\n iteration # 5 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 1 eigenvalues not converged\n ethr = 8.67E-06, avg # of iterations = 17.5\n\n negative rho (up, down): 4.269E-03 1.253E-03\n\n total cpu time spent up to now is 33.1 secs\n\n total energy = -83.03730114 Ry\n estimated scf accuracy < 0.00151559 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.05 Bohr mag/cell\n\n iteration # 6 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.67E-06, avg # of iterations = 1.5\n\n negative rho (up, down): 3.122E-03 8.353E-04\n\n total cpu time spent up to now is 38.1 secs\n\n total energy = -83.03708129 Ry\n estimated scf accuracy < 0.00123936 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.05 Bohr mag/cell\n\n iteration # 7 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 8.67E-06, avg # of iterations = 1.5\n\n negative rho (up, down): 2.093E-03 4.173E-04\n\n total cpu time spent up to now is 43.3 secs\n\n total energy = -83.03701186 Ry\n estimated scf accuracy < 0.00054693 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.05 Bohr mag/cell\n\n iteration # 8 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 4.56E-06, avg # of iterations = 6.0\n\n negative rho (up, down): 2.106E-03 5.309E-04\n\n total cpu time spent up to now is 48.8 secs\n\n total energy = -83.03704567 Ry\n estimated scf accuracy < 0.00027882 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.05 Bohr mag/cell\n\n iteration # 9 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 1 eigenvalues not converged\n ethr = 2.32E-06, avg # of iterations = 19.0\n\n negative rho (up, down): 4.203E-03 2.174E-03\n\n total cpu time spent up to now is 54.7 secs\n\n total energy = -83.03710166 Ry\n estimated scf accuracy < 0.00023421 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.05 Bohr mag/cell\n\n iteration # 10 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.95E-06, avg # of iterations = 13.5\n\n negative rho (up, down): 5.340E-03 3.154E-03\n\n total cpu time spent up to now is 60.4 secs\n\n total energy = -83.03716218 Ry\n estimated scf accuracy < 0.00004755 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.05 Bohr mag/cell\n\n iteration # 11 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 3 eigenvalues not converged\n ethr = 3.96E-07, avg # of iterations = 11.0\n\n negative rho (up, down): 6.048E-03 3.688E-03\n\n total cpu time spent up to now is 66.0 secs\n\n total energy = -83.03719152 Ry\n estimated scf accuracy < 0.00003467 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.05 Bohr mag/cell\n\n iteration # 12 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 1 eigenvalues not converged\n ethr = 2.89E-07, avg # of iterations = 11.0\n\n negative rho (up, down): 6.107E-03 3.642E-03\n\n total cpu time spent up to now is 71.6 secs\n\n total energy = -83.03720170 Ry\n estimated scf accuracy < 0.00001274 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.05 Bohr mag/cell\n\n iteration # 13 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n c_bands: 1 eigenvalues not converged\n ethr = 1.06E-07, avg # of iterations = 10.5\n\n negative rho (up, down): 5.870E-03 3.331E-03\n\n total cpu time spent up to now is 77.2 secs\n\n total energy = -83.03720290 Ry\n estimated scf accuracy < 0.00000799 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.05 Bohr mag/cell\n\n iteration # 14 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.65E-08, avg # of iterations = 9.5\n\n negative rho (up, down): 5.949E-03 3.388E-03\n\n total cpu time spent up to now is 82.8 secs\n\n total energy = -83.03720787 Ry\n estimated scf accuracy < 0.00000074 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.05 Bohr mag/cell\n\n iteration # 15 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 6.17E-09, avg # of iterations = 4.0\n\n negative rho (up, down): 5.967E-03 3.403E-03\n\n total cpu time spent up to now is 88.3 secs\n\n total energy = -83.03720882 Ry\n estimated scf accuracy < 0.00000026 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.05 Bohr mag/cell\n\n iteration # 16 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 2.19E-09, avg # of iterations = 2.5\n\n negative rho (up, down): 5.959E-03 3.397E-03\n\n total cpu time spent up to now is 93.8 secs\n\n total energy = -83.03720932 Ry\n estimated scf accuracy < 0.00000012 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.05 Bohr mag/cell\n\n iteration # 17 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 9.81E-10, avg # of iterations = 3.0\n\n negative rho (up, down): 5.956E-03 3.396E-03\n\n total cpu time spent up to now is 99.2 secs\n\n total energy = -83.03720943 Ry\n estimated scf accuracy < 0.00000006 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.05 Bohr mag/cell\n\n iteration # 18 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 5.32E-10, avg # of iterations = 2.0\n\n negative rho (up, down): 5.950E-03 3.390E-03\n\n total cpu time spent up to now is 104.6 secs\n\n total energy = -83.03720946 Ry\n estimated scf accuracy < 0.00000002 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.05 Bohr mag/cell\n\n iteration # 19 ecut= 45.00 Ry beta= 0.30\n Davidson diagonalization with overlap\n ethr = 1.58E-10, avg # of iterations = 4.0\n\n negative rho (up, down): 5.959E-03 3.402E-03\n \n Magnetic moment per site (integrated on atomic sphere of radius R)\n atom 1 (R=0.025) charge= 2.9164 magn= 0.5605\n atom 2 (R=0.025) charge= 2.9164 magn= 0.5605\n\n total cpu time spent up to now is 108.5 secs\n\n End of self-consistent calculation\n\n ------ SPIN UP ------------\n\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -32.9971 -20.5466 -13.5453 -13.5453 -13.5287 -6.8476 -6.8475 -0.3464\n -0.0477 0.0793\n\n ------ SPIN DOWN ----------\n\n\n k = 0.0000 0.0000 0.0000 (137481 PWs) bands (ev):\n\n -31.8067 -18.7519 -12.6227 -11.6806 -11.6806 -4.5362 -4.5362 -0.2631\n 0.0282 0.1409\n\n the Fermi energy is -5.6473 ev\n\n! total energy = -83.03720948 Ry\n total all-electron energy = -300.730990 Ry\n estimated scf accuracy < 9.6E-09 Ry\n smearing contrib. (-TS) = -0.00000000 Ry\n internal energy E=F+TS = -83.03720948 Ry\n\n The total energy is F=E-TS. E is the sum of the following terms:\n one-electron contribution = -165.96697768 Ry\n hartree contribution = 85.17523198 Ry\n xc contribution = -14.53662823 Ry\n ewald contribution = 31.48823073 Ry\n DFT-D3 Dispersion = -0.00053442 Ry\n one-center paw contrib. = -19.19653186 Ry\n\n total magnetization = 2.00 Bohr mag/cell\n absolute magnetization = 2.05 Bohr mag/cell\n\n convergence has been achieved in 19 iterations\n\n negative rho (up, down): 5.959E-03 3.402E-03\n\n Forces acting on atoms (cartesian axes, Ry/au):\n\n atom 1 type 1 force = -0.00000187 -0.00000237 -0.05499039\n atom 2 type 1 force = 0.00000187 0.00000237 0.05499039\n\n Total force = 0.077768 Total SCF correction = 0.000370\n\n Writing all to output data dir ./tmp/calc.save/ :\n XML data file, charge density, pseudopotentials, collected wavefunctions\n \n init_run : 6.82s CPU 8.23s WALL ( 1 calls)\n electrons : 87.87s CPU 100.43s WALL ( 1 calls)\n forces : 1.62s CPU 1.86s WALL ( 1 calls)\n force_dftd3 : 0.00s CPU 0.00s WALL ( 1 calls)\n\n Called by init_run:\n wfcinit : 0.08s CPU 0.12s WALL ( 1 calls)\n potinit : 2.23s CPU 2.89s WALL ( 1 calls)\n hinit0 : 3.00s CPU 3.50s WALL ( 1 calls)\n\n Called by electrons:\n c_bands : 5.00s CPU 5.04s WALL ( 19 calls)\n sum_band : 9.17s CPU 10.19s WALL ( 19 calls)\n v_of_rho : 7.62s CPU 7.74s WALL ( 20 calls)\n newd : 7.37s CPU 7.38s WALL ( 20 calls)\n PAW_pot : 0.77s CPU 0.79s WALL ( 20 calls)\n mix_rho : 23.59s CPU 29.09s WALL ( 19 calls)\n energy_dftd3 : 0.00s CPU 0.00s WALL ( 1 calls)\n\n Called by c_bands:\n init_us_2 : 0.05s CPU 0.05s WALL ( 80 calls)\n regterg : 4.48s CPU 4.52s WALL ( 38 calls)\n\n Called by *egterg:\n rdiaghg : 0.16s CPU 0.17s WALL ( 340 calls)\n h_psi : 2.78s CPU 2.80s WALL ( 342 calls)\n s_psi : 0.03s CPU 0.03s WALL ( 342 calls)\n g_psi : 0.02s CPU 0.02s WALL ( 302 calls)\n\n Called by h_psi:\n h_psi:calbec : 0.03s CPU 0.03s WALL ( 342 calls)\n vloc_psi : 2.48s CPU 2.50s WALL ( 342 calls)\n add_vuspsi : 0.18s CPU 0.19s WALL ( 342 calls)\n\n General routines\n calbec : 0.03s CPU 0.03s WALL ( 388 calls)\n fft : 19.80s CPU 19.81s WALL ( 374 calls)\n ffts : 8.10s CPU 8.10s WALL ( 2273 calls)\n fftw : 2.11s CPU 2.11s WALL ( 874 calls)\n interpolate : 29.34s CPU 35.09s WALL ( 40 calls)\n \n \n PWSCF : 1m36.71s CPU 1m51.31s WALL\n\n \n This run was terminated on: 17:42:36 17Aug2026 \n\n=------------------------------------------------------------------------------=\n JOB DONE.\n=------------------------------------------------------------------------------=\n","output_type":"stream"}],"execution_count":66},{"cell_type":"markdown","source":"Runs D3hess.x to generate information for ph.x","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > run_qe.sh << 'EOF'\n#!/bin/bash\nexport CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\nexec /kaggle/working/q-e-qe-7.6/bin/d3hess.x -nb 4 -in d3hess.in > d3hess.out\nEOF\nchmod +x run_qe.sh\n\nmpirun --allow-run-as-root -np 2 \\\n --bind-to none \\\n ./run_qe.sh || true","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:27:06.050871Z","iopub.execute_input":"2026-08-17T17:27:06.051311Z","iopub.status.idle":"2026-08-17T17:27:07.658186Z","shell.execute_reply.started":"2026-08-17T17:27:06.051283Z","shell.execute_reply":"2026-08-17T17:27:07.657532Z"}},"outputs":[{"name":"stderr","text":"Accelerator Fatal Error: No accelerator device found for cudafor_acc_malloc call\n\n File: /kaggle/working/q-e-qe-7.6/Modules/qexsd_copy.f90\n Function: qexsd_copy_band_structure:662\n Line: 756\n\n--------------------------------------------------------------------------\nPrimary job terminated normally, but 1 process returned\na non-zero exit code. Per user-direction, the job has been aborted.\n--------------------------------------------------------------------------\n--------------------------------------------------------------------------\nmpirun detected that one or more processes exited with non-zero status, thus causing\nthe job to be terminated. The first process to do so was:\n\n Process name: [[10785,1],1]\n Exit code: 1\n--------------------------------------------------------------------------\n","output_type":"stream"}],"execution_count":37},{"cell_type":"markdown","source":"Runs phonon calculations once phonpy has made the supercells.","metadata":{}},{"cell_type":"code","source":"import glob\nimport os\nimport re\n\n# 1. Sort all supercell files numerically\nall_files = glob.glob('supercell-*.in')\nall_files.sort(key=lambda f: int(re.sub(r'\\D', '', f)))\n\n# 2. Filter list to stop at 90\ntarget_files = []\nfor f in all_files:\n match = re.search(r'-(\\d+)\\.', f)\n if match and int(match.group(1)) <= 90:\n target_files.append(f)\n\n# 3. Create the parallel worker script\n# Rank 0 processes indices 0, 2, 4... Rank 1 processes indices 1, 3, 5...\nwith open(\"run_parallel.sh\", \"w\") as f:\n f.write(\"#!/bin/bash\\n\")\n f.write(\"export CUDA_VISIBLE_DEVICES=${OMPI_COMM_WORLD_LOCAL_RANK}\\n\")\n f.write(\"RANK=${OMPI_COMM_WORLD_LOCAL_RANK}\\n\")\n f.write(\"SIZE=${OMPI_COMM_WORLD_LOCAL_SIZE}\\n\")\n f.write(\"FILES=(\\\"$@\\\")\\n\\n\")\n \n f.write(\"for (( i=$RANK; i<${#FILES[@]}; i+=$SIZE )); do\\n\")\n f.write(\" IN_FILE=${FILES[$i]}\\n\")\n f.write(\" OUT_FILE=\\\"${IN_FILE%.in}.out\\\"\\n\")\n \n # Skip if output already exists and isn't empty\n f.write(\" if [ -s \\\"$OUT_FILE\\\" ]; then\\n\")\n f.write(\" echo \\\"Rank $RANK: Skipping $IN_FILE (already done)\\\"\\n\")\n f.write(\" continue\\n\")\n f.write(\" fi\\n\\n\")\n \n # Isolated work directory to prevent GPU scratch-file collisions\n f.write(\" WORKDIR=\\\"work_rank_${RANK}_idx_${i}\\\"\\n\")\n f.write(\" mkdir -p $WORKDIR && cp $IN_FILE $WORKDIR/in.in\\n\")\n \n f.write(\" echo \\\"Rank $RANK: Starting $IN_FILE on GPU $RANK\\\"\\n\")\n # Execute pw.x\n f.write(\" /kaggle/working/q-e-qe-7.6/bin/pw.x -in $WORKDIR/in.in > $OUT_FILE\\n\")\n \n f.write(\" rm -rf $WORKDIR\\n\")\n f.write(\"done\\n\")\n\n!chmod +x run_parallel.sh\n\n# 4. Launch the two workers\nfiles_str = \" \".join(target_files)\n!mpirun --allow-run-as-root -np 2 --bind-to none ./run_parallel.sh {files_str}","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:27:07.659211Z","iopub.execute_input":"2026-08-17T17:27:07.66002Z","iopub.status.idle":"2026-08-17T17:27:07.936553Z","shell.execute_reply.started":"2026-08-17T17:27:07.659985Z","shell.execute_reply":"2026-08-17T17:27:07.93577Z"}},"outputs":[],"execution_count":38},{"cell_type":"markdown","source":"## 6.(Optional) In case .in files not present and only .xyz file available ","metadata":{}},{"cell_type":"markdown","source":"Run this if you have .in files and need ld1.x to run to create a .upf file.","metadata":{}},{"cell_type":"code","source":"'''!cd /kaggle/working/q-e-qe-7.6/bin\n!make ld1 -j2'''\n!cd /kaggle/input/datasets/pcsciprav/actinide-basis-set-rel/fully-relativistic-basis\n!../q-e-qe-7.2/bin/ld1.x < /kaggle/input/datasets/pcsciprav/actinide-basis-set-rel/fully-relativistic-basis/pu.in > pu.out\n# Change the .in and .out file names to match the input .in file name. Use the same .out name.","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:27:07.937717Z","iopub.execute_input":"2026-08-17T17:27:07.938002Z","iopub.status.idle":"2026-08-17T17:27:08.182629Z","shell.execute_reply.started":"2026-08-17T17:27:07.937975Z","shell.execute_reply":"2026-08-17T17:27:08.181537Z"}},"outputs":[{"name":"stdout","text":"/bin/bash: line 1: ../q-e-qe-7.2/bin/ld1.x: No such file or directory\n","output_type":"stream"}],"execution_count":39},{"cell_type":"markdown","source":"Change the link to any pseudopotential file as an alternative to ld1.","metadata":{}},{"cell_type":"code","source":"!wget https://pseudopotentials.quantum-espresso.org/upf_files/V.pbe-spnl-kjpaw_psl.1.0.0.UPF\n#!wget https://pseudopotentials.quantum-espresso.org/upf_files/N.rel-pz-n-kjpaw_psl.1.0.0.UPF\n#!wget https://pseudopotentials.quantum-espresso.org/upf_files/F.rel-pbe-n-kjpaw_psl.0.1.UPF","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:27:08.184284Z","iopub.execute_input":"2026-08-17T17:27:08.184663Z","iopub.status.idle":"2026-08-17T17:27:41.133564Z","shell.execute_reply.started":"2026-08-17T17:27:08.18462Z","shell.execute_reply":"2026-08-17T17:27:41.13282Z"}},"outputs":[{"name":"stdout","text":"--2026-08-17 17:27:08-- https://pseudopotentials.quantum-espresso.org/upf_files/V.pbe-spnl-kjpaw_psl.1.0.0.UPF\nResolving pseudopotentials.quantum-espresso.org (pseudopotentials.quantum-espresso.org)... 93.186.242.122\nConnecting to pseudopotentials.quantum-espresso.org (pseudopotentials.quantum-espresso.org)|93.186.242.122|:443... connected.\n^C\n","output_type":"stream"}],"execution_count":40},{"cell_type":"markdown","source":"Run this snippet first and ensure persistence is set to files or variables and files.","metadata":{}},{"cell_type":"code","source":"import os\nimport shutil\nimport requests\n\nPSEUDO_DIR = \"pseudo\"\nos.makedirs(PSEUDO_DIR, exist_ok=True)\nBASE_URL = \"https://pseudopotentials.quantum-espresso.org/upf_files/\"\n\nmanual_pseudos = {\n #'V': '/kaggle/working/q-e-qe-7.5/V.pbe-spnl-kjpaw_psl.1.0.0.UPF'\n}\n\nmasses = {\n 'U': 238.03,\n 'Pu': 244.06,\n 'Au': 196.966570,\n 'Fr': 223,\n 'Cs': 132.91,\n 'N': 14.007,\n 'Nd': 144.242,\n 'Tc': 97.907,\n 'As': 74.9216,\n 'O': 16,\n 'C': 12,\n 'Os': 190.23,\n 'Pt': 198.9705762,\n 'Hg': 200.59,\n 'F': 18.998\n}\n\nhubbard_u = {\n #'U': 3.0\n}\n\ndef find_pseudo(element):\n return [\n f\"{element}.pbe-spn-kjpaw_psl.1.0.0.UPF\",\n f\"{element}.pbe-n-kjpaw_psl.1.0.0.UPF\",\n f\"{element}.pbe-kjpaw_psl.1.0.0.UPF\",\n ]\n\ndef try_download(element):\n for name in find_pseudo(element):\n path = os.path.join(PSEUDO_DIR, name)\n\n if os.path.exists(path):\n print(f\"Using existing pseudo: {path}\")\n return name\n\n url = BASE_URL + name\n try:\n r = requests.get(url, timeout=30)\n if r.status_code == 200 and len(r.content) > 0:\n with open(path, \"wb\") as f:\n f.write(r.content)\n print(f\"Downloaded {name}\")\n return name\n except Exception as e:\n print(f\"Could not download {name}: {e}\")\n\n return None\n\ndef install_manual_pseudo(element):\n src = manual_pseudos[element]\n if not os.path.exists(src):\n raise FileNotFoundError(f\"Manual pseudopotential for {element} not found: {src}\")\n\n filename = os.path.basename(src)\n dst = os.path.join(PSEUDO_DIR, filename)\n\n if not os.path.exists(dst):\n shutil.copyfile(src, dst)\n print(f\"Copied manual pseudo for {element} to {dst}\")\n else:\n print(f\"Using existing copied pseudo for {element}: {dst}\")\n\n return filename\n\ndef download_pseudo(element):\n if element in manual_pseudos:\n return install_manual_pseudo(element)\n\n result = try_download(element)\n if result:\n return result\n\n raise Exception(f\"No pseudopotential found for {element}\")\n\ndef xyz_to_qe(xyz_file, output=\"input.in\"):\n with open(xyz_file, \"r\", encoding=\"utf-8\") as f:\n lines = f.readlines()\n\n nat = int(lines[0].strip())\n coords = lines[2:2 + nat]\n\n atoms = []\n species_ordered = []\n\n for line in coords:\n parts = line.split()\n if len(parts) < 4:\n raise ValueError(f\"Invalid XYZ line: {line!r}\")\n el, x, y, z = parts[:4]\n x = float(x) + 10.0\n y = float(y) + 10.0\n z = float(z) + 10.0\n atoms.append((el, x, y, z))\n if el not in species_ordered:\n species_ordered.append(el)\n\n pseudo_map = {}\n for el in species_ordered:\n pseudo_map[el] = download_pseudo(el)\n\n with open(output, \"w\", encoding=\"ascii\", newline=\"\\n\") as f:\n # CONTROL\n f.write(\"&CONTROL\\n\")\n f.write(\" calculation = 'scf'\\n\") # Either keep it as relax or scf\n #f.write(\" restart_mode='restart'\\n\")\n f.write(\" pseudo_dir = './pseudo/'\\n\")\n f.write(\" outdir = './tmp/'\\n\")\n f.write(\" prefix = 'calc'\\n\")\n f.write(\" tprnfor = .true.\\n\") # Remove this and the line below if forces for phonons not needed\n f.write(\" tstress = .true.\\n\")\n f.write(\"/\\n\\n\")\n\n # SYSTEM\n f.write(\"&SYSTEM\\n\")\n f.write(f\" nat = {nat}\\n\")\n f.write(f\" ntyp = {len(species_ordered)}\\n\")\n f.write(\" ecutwfc = 45\\n\")\n f.write(\" nspin = 2\\n\")\n f.write(\" starting_magnetization(1) = 0.5\\n\")\n #f.write(\" tot_charge = 1\\n\") # Remove comment if using charged body\n f.write(\" ecutrho = 360\\n\")\n # f.write(\" nbnd = 112\\n\")\n f.write(\" input_dft = 'PBE'\\n\")\n f.write(\" occupations = 'smearing'\\n\")\n f.write(\" smearing = 'gaussian'\\n\")\n f.write(\" degauss = 0.005\\n\")\n f.write(\" vdw_corr = 'grimme-d3'\\n\")\n f.write(\" dftd3_version = 4\\n\")\n f.write(\" dftd3_threebody = .false.\\n\")\n f.write(\" assume_isolated = 'mt'\\n\")\n f.write(\" ibrav = 0\\n\")\n f.write(\" nosym = .true.\\n\")\n f.write(\" noinv = .true.\\n\")\n f.write(\" noncolin = .false.\\n\")\n f.write(\" lspinorb = .false.\\n\")\n f.write(\"/\\n\\n\")\n\n # ELECTRONS\n f.write(\"&ELECTRONS\\n\")\n f.write(\" conv_thr = 1.0d-8\\n\")\n f.write(\" mixing_beta = 0.3\\n\")\n f.write(\" mixing_mode = 'local-TF'\\n\")\n f.write(\" electron_maxstep = 250\\n\")\n f.write(\"/\\n\\n\")\n \n # IONS\n # Use only when running calculation = relax, otherwise comment it out. Change damp to bfgs if the system is fairly stable.\n '''f.write(\"&IONS\\n\")\n f.write(\" ion_dynamics = 'bfgs'\\n\")\n f.write(\" trust_radius_ini = 0.10\\n\") # Lower for unstable systems\n f.write(\" trust_radius_max = 0.50\\n\") # Lower for unstable systems\n #f.write(\" upscale = 0.5\\n\")\n f.write(\"/\\n\\n\")'''\n\n # ATOMIC_SPECIES\n f.write(\"ATOMIC_SPECIES\\n\")\n for el in species_ordered:\n mass = masses.get(el, 1.0)\n pseudo_filename = pseudo_map[el]\n f.write(f\"{el:>3} {mass:10.5f} {pseudo_filename}\\n\")\n \n # ATOMIC_POSITIONS\n f.write(\"\\nATOMIC_POSITIONS angstrom\\n\")\n for el, x, y, z in atoms:\n f.write(f\"{el:>3} {x} {y} {z}\\n\")\n \n # CELL PARAMETERS ANGSTROMS\n f.write(\"\\nCELL_PARAMETERS angstrom\\n\")\n f.write(\"20.0 0.0 0.0\\n\")\n f.write(\"0.0 20.0 0.0\\n\")\n f.write(\"0.0 0.0 20.0\\n\")\n\n # K_POINTS\n f.write(\"\\nK_POINTS gamma\\n\")\n #f.write(\"2 2 2 0 0 0\\n\")\n\n # HUBBARD\n has_hubbard = any(el in hubbard_u for el in species_ordered)\n if has_hubbard:\n f.write(\"\\nHUBBARD ortho-atomic\\n\")\n for el in species_ordered:\n if el in hubbard_u:\n f.write(f\"U {el}-5f {hubbard_u[el]}\\n\")\n\n print(f\"QE input ready: {output}\")\n print(\"Pseudopotentials used:\")\n for el in species_ordered:\n print(f\" {el} -> {pseudo_map[el]}\")\n\nxyz_to_qe(\"/kaggle/working/q-e-qe-7.6/o2.xyz\")","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-17T17:40:36.545898Z","iopub.execute_input":"2026-08-17T17:40:36.546293Z","iopub.status.idle":"2026-08-17T17:40:36.847922Z","shell.execute_reply.started":"2026-08-17T17:40:36.546267Z","shell.execute_reply":"2026-08-17T17:40:36.84712Z"}},"outputs":[{"name":"stdout","text":"Using existing pseudo: pseudo/O.pbe-n-kjpaw_psl.1.0.0.UPF\nQE input ready: input.in\nPseudopotentials used:\n O -> O.pbe-n-kjpaw_psl.1.0.0.UPF\n","output_type":"stream"}],"execution_count":63},{"cell_type":"markdown","source":"Add fast files for reducing energies to find true energies in the RocketCEA/Cantera code","metadata":{}},{"cell_type":"code","source":"%%bash\ncat > o2.xyz << 'EOF'\n2\noxygen\nO 10.000000 10.000000 9.395000\nO 10.000000 10.000000 10.605000\nEOF","metadata":{"trusted":true,"execution":{"iopub.status.busy":"2026-08-17T17:39:27.716241Z","iopub.execute_input":"2026-08-17T17:39:27.716757Z","iopub.status.idle":"2026-08-17T17:39:27.726529Z","shell.execute_reply.started":"2026-08-17T17:39:27.716712Z","shell.execute_reply":"2026-08-17T17:39:27.725925Z"}},"outputs":[],"execution_count":61},{"cell_type":"code","source":"prefix = \"calc\"\noutdir = \"./tmp/\"\nfilhess = f\"{prefix}.hess\"\nstep = 1.0e-3\n\nd3hess_input = f\"\"\"&INPUT\n prefix = '{prefix}',\n outdir = '{outdir}',\n filhess = '{filhess}',\n step = {step:.1e}\n/\n\"\"\"\n\nwith open(\"d3hess.in\", \"w\") as f:\n f.write(d3hess_input)\n\nprint(\"Created d3hess.in\")\nprint(d3hess_input)","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:27:42.7818Z","iopub.status.idle":"2026-08-17T17:27:42.782124Z","shell.execute_reply.started":"2026-08-17T17:27:42.781971Z","shell.execute_reply":"2026-08-17T17:27:42.781987Z"}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Clones input.in to the supercell.in for running parallel finite displacement phonons.","metadata":{}},{"cell_type":"code","source":"import glob\n\n# 1. Read your baseline file and split it in half around the coordinates\nwith open('input.in', 'r') as f:\n baseline_lines = f.readlines()\n\npre_positions = []\npost_positions = []\nis_positions_block = False\npassed_positions = False\n\n# These keywords tell the script when the position block ends\nqe_keywords = ['&CONTROL', '&SYSTEM', '&ELECTRONS', '&IONS', '&CELL', \n 'K_POINTS', 'CELL_PARAMETERS', 'ATOMIC_SPECIES']\n\nfor line in baseline_lines:\n line_upper = line.strip().upper()\n \n if line_upper.startswith('ATOMIC_POSITIONS'):\n is_positions_block = True\n continue\n \n if is_positions_block:\n if any(line_upper.startswith(kw) for kw in qe_keywords):\n is_positions_block = False\n passed_positions = True\n post_positions.append(line)\n continue\n \n if not is_positions_block:\n if not passed_positions:\n pre_positions.append(line)\n else:\n post_positions.append(line)\n\n# 2. Extract the nudged coordinates from Phonopy's files\nfor target_file in glob.glob('supercell-*.in'):\n with open(target_file, 'r') as f:\n target_lines = f.readlines()\n \n new_positions = []\n in_target_pos = False\n \n for line in target_lines:\n line_upper = line.strip().upper()\n \n if line_upper.startswith('ATOMIC_POSITIONS'):\n in_target_pos = True\n new_positions.append(line)\n continue\n \n if in_target_pos:\n if any(line_upper.startswith(kw) for kw in qe_keywords):\n break\n if line.strip(): # Keep the coordinate lines\n new_positions.append(line)\n\n # 3. Sandwich the new coordinates inside your original baseline settings\n if new_positions:\n with open(target_file, 'w') as f:\n f.writelines(pre_positions)\n f.write(\"\\n\")\n f.writelines(new_positions)\n f.write(\"\\n\")\n f.writelines(post_positions)\n print(f\"Successfully applied baseline settings to: {target_file}\")\n else:\n print(f\"Skipped: Could not find coordinates in {target_file}\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:27:42.783947Z","iopub.status.idle":"2026-08-17T17:27:42.784461Z","shell.execute_reply.started":"2026-08-17T17:27:42.784333Z","shell.execute_reply":"2026-08-17T17:27:42.784349Z"}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy-init -d --qe --dim=\"1 1 1\" -c input.in","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:27:42.785901Z","iopub.status.idle":"2026-08-17T17:27:42.786157Z","shell.execute_reply.started":"2026-08-17T17:27:42.78603Z","shell.execute_reply":"2026-08-17T17:27:42.786044Z"}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!rm -rf supercell-*.in\n!rm -rf supercell.in","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:27:42.787508Z","iopub.status.idle":"2026-08-17T17:27:42.787855Z","shell.execute_reply.started":"2026-08-17T17:27:42.787735Z","shell.execute_reply":"2026-08-17T17:27:42.787751Z"}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy --qe -f supercell-[0-9][0-9][0-9].out","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:27:42.788913Z","iopub.status.idle":"2026-08-17T17:27:42.789425Z","shell.execute_reply.started":"2026-08-17T17:27:42.789298Z","shell.execute_reply":"2026-08-17T17:27:42.789315Z"}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!touch mesh.conf\nwith open(\"mesh.conf\", \"w\") as f:\n f.write(\"ATOM_NAME = C N F O H\\n\")\n f.write(\"DIM = 1 1 1\\n\")\n f.write(\"MESH = 1 1 1\\n\")\n f.write(\"FORCE_SETS = READ\\n\")\n\nprint(\"mesh.conf has been created successfully.\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:27:42.790502Z","iopub.status.idle":"2026-08-17T17:27:42.790859Z","shell.execute_reply.started":"2026-08-17T17:27:42.790726Z","shell.execute_reply":"2026-08-17T17:27:42.790748Z"}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!phonopy --qe -c input.in -p mesh.conf","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:27:42.791944Z","iopub.status.idle":"2026-08-17T17:27:42.792167Z","shell.execute_reply.started":"2026-08-17T17:27:42.792062Z","shell.execute_reply":"2026-08-17T17:27:42.792074Z"}},"outputs":[],"execution_count":null},{"cell_type":"code","source":"!cat mesh.yaml","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:27:42.792948Z","iopub.status.idle":"2026-08-17T17:27:42.793306Z","shell.execute_reply.started":"2026-08-17T17:27:42.793125Z","shell.execute_reply":"2026-08-17T17:27:42.793146Z"}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Used to create molecular dynamics setup. Can be extremely sensitive.","metadata":{}},{"cell_type":"code","source":"def xyz_to_qe(xyz_file, output=\"input.in\", mode='cp'):\n with open(xyz_file, \"r\", encoding=\"utf-8\") as f:\n lines = f.readlines()\n\n nat = int(lines[0].strip())\n coords = lines[2:2 + nat]\n atoms = []\n species_ordered = []\n\n for line in coords:\n parts = line.split()\n el, x, y, z = parts[:4]\n atoms.append((el, float(x)+10.0, float(y)+10.0, float(z)+10.0))\n if el not in species_ordered: species_ordered.append(el)\n\n pseudo_map = {el: download_pseudo(el) for el in species_ordered}\n\n with open(output, \"w\", encoding=\"ascii\", newline=\"\\n\") as f:\n # --- 1. CONTROL ---\n # Stripped to the absolute bare minimums\n f.write(\"&CONTROL\\n\")\n f.write(\" calculation = 'cp',\\n\")\n f.write(\" restart_mode = 'from_scratch',\\n\")\n f.write(\" prefix = 'tesseract',\\n\")\n f.write(\" pseudo_dir = './pseudo/',\\n\")\n f.write(\" outdir = './tmp/',\\n\")\n f.write(\" dt = 5.0,\\n\")\n f.write(\" nstep = 500,\\n\")\n f.write(\" ndr = 51,\\n\")\n f.write(\" ndw = 51\\n\") # Removed TQR\n f.write(\"/\\n\\n\")\n\n # --- 2. SYSTEM ---\n f.write(\"&SYSTEM\\n\")\n f.write(f\" ibrav = 0, nat = {nat}, ntyp = {len(species_ordered)},\\n\")\n f.write(\" ecutwfc = 65.0,\\n\")\n f.write(\" ecutrho = 260.0,\\n\")\n f.write(\" input_dft = 'PBE',\\n\")\n f.write(\" nosym = .true.\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 3. ELECTRONS ---\n f.write(\"&ELECTRONS\\n\")\n f.write(\" electron_dynamics = 'damp',\\n\")\n f.write(\" electron_damping = 0.1,\\n\")\n f.write(\" emass = 400.0,\\n\")\n f.write(\" emass_cutoff = 2.5\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 4. IONS ---\n f.write(\"&IONS\\n\")\n f.write(\" ion_dynamics = 'none'\\n\")\n f.write(\"/\\n\\n\")\n\n # --- 5. ATOMIC DATA ---\n f.write(\"ATOMIC_SPECIES\\n\")\n for el in species_ordered:\n f.write(f\"{el:>3} {masses.get(el, 1.0):10.5f} {pseudo_map[el]}\\n\")\n\n f.write(\"\\nATOMIC_POSITIONS angstrom\\n\")\n for el, x, y, z in atoms:\n f.write(f\"{el:>3} {x:12.8f} {y:12.8f} {z:12.8f}\\n\")\n \n f.write(\"\\nCELL_PARAMETERS angstrom\\n\")\n f.write(\"20.0 0.0 0.0\\n0.0 20.0 0.0\\n0.0 0.0 20.0\\n\")\n\n print(f\"✅ Clean CP Input ready: {output}\")","metadata":{"trusted":true,"collapsed":true,"jupyter":{"source_hidden":true,"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:27:42.794546Z","iopub.status.idle":"2026-08-17T17:27:42.794879Z","shell.execute_reply.started":"2026-08-17T17:27:42.794714Z","shell.execute_reply":"2026-08-17T17:27:42.794756Z"}},"outputs":[],"execution_count":null},{"cell_type":"markdown","source":"Generates ph.x input, to be used only after running d3hess.x","metadata":{}},{"cell_type":"code","source":"def generate_ph_input_fixed(prefix=\"calc\", outdir=\"./tmp/\", verbosity=\"high\"):\n with open(\"ph.in\", \"w\") as f:\n f.write(\"&inputph\\n\")\n f.write(f\" prefix = '{prefix}',\\n\")\n f.write(f\" outdir = '{outdir}',\\n\")\n f.write(\" tr2_ph = 1.0d-10,\\n\")\n f.write(\" alpha_mix(1) = 0.10,\\n\")\n f.write(\" nmix_ph = 8,\\n\")\n f.write(\" diagonalization = 'cg',\\n\")\n f.write(\" recover = .true.,\\n\")\n f.write(\" niter_ph = 50,\\n\")\n f.write(\" search_sym = .false.,\\n\")\n f.write(\" fildyn = 'calc.dyn',\\n\")\n f.write(\" trans = .true.,\\n\")\n #f.write(\" ldisp = .false.,\\n\")\n f.write(f\" verbosity = '{verbosity}'\\n\")\n f.write(\"/\\n\")\n f.write(\"0.0 0.0 0.0\\n\")\n\n print(\"Generated ph.in for Gamma point molecular vibrational frequencies\")\n\n# Test single q-point first\ngenerate_ph_input_fixed(verbosity='high')","metadata":{"trusted":true,"collapsed":true,"jupyter":{"outputs_hidden":true},"execution":{"iopub.status.busy":"2026-08-17T17:27:42.796228Z","iopub.status.idle":"2026-08-17T17:27:42.796585Z","shell.execute_reply.started":"2026-08-17T17:27:42.796405Z","shell.execute_reply":"2026-08-17T17:27:42.79643Z"}},"outputs":[],"execution_count":null}]} \ No newline at end of file